@phdthesis{Miteva2007, author = {Miteva, Rositsa Stoycheva}, title = {Electron acceleration at localized wave structures in the solar corona}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-14775}, school = {Universit{\"a}t Potsdam}, year = {2007}, abstract = {Our dynamic Sun manifests its activity by different phenomena: from the 11-year cyclic sunspot pattern to the unpredictable and violent explosions in the case of solar flares. During flares, a huge amount of the stored magnetic energy is suddenly released and a substantial part of this energy is carried by the energetic electrons, considered to be the source of the nonthermal radio and X-ray radiation. One of the most important and still open question in solar physics is how the electrons are accelerated up to high energies within (the observed in the radio emission) short time scales. Because the acceleration site is extremely small in spatial extent as well (compared to the solar radius), the electron acceleration is regarded as a local process. The search for localized wave structures in the solar corona that are able to accelerate electrons together with the theoretical and numerical description of the conditions and requirements for this process, is the aim of the dissertation. Two models of electron acceleration in the solar corona are proposed in the dissertation: I. Electron acceleration due to the solar jet interaction with the background coronal plasma (the jet--plasma interaction) A jet is formed when the newly reconnected and highly curved magnetic field lines are relaxed by shooting plasma away from the reconnection site. Such jets, as observed in soft X-rays with the Yohkoh satellite, are spatially and temporally associated with beams of nonthermal electrons (in terms of the so-called type III metric radio bursts) propagating through the corona. A model that attempts to give an explanation for such observational facts is developed here. Initially, the interaction of such jets with the background plasma leads to an (ion-acoustic) instability associated with growing of electrostatic fluctuations in time for certain range of the jet initial velocity. During this process, any test electron that happen to feel this electrostatic wave field is drawn to co-move with the wave, gaining energy from it. When the jet speed has a value greater or lower than the one, required by the instability range, such wave excitation cannot be sustained and the process of electron energization (acceleration and/or heating) ceases. Hence, the electrons can propagate further in the corona and be detected as type III radio burst, for example. II. Electron acceleration due to attached whistler waves in the upstream region of coronal shocks (the electron--whistler--shock interaction) Coronal shocks are also able to accelerate electrons, as observed by the so-called type II metric radio bursts (the radio signature of a shock wave in the corona). From in-situ observations in space, e.g., at shocks related to co-rotating interaction regions, it is known that nonthermal electrons are produced preferably at shocks with attached whistler wave packets in their upstream regions. Motivated by these observations and assuming that the physical processes at shocks are the same in the corona as in the interplanetary medium, a new model of electron acceleration at coronal shocks is presented in the dissertation, where the electrons are accelerated by their interaction with such whistlers. The protons inflowing toward the shock are reflected there by nearly conserving their magnetic moment, so that they get a substantial velocity gain in the case of a quasi-perpendicular shock geometry, i.e, the angle between the shock normal and the upstream magnetic field is in the range 50--80 degrees. The so-accelerated protons are able to excite whistler waves in a certain frequency range in the upstream region. When these whistlers (comprising the localized wave structure in this case) are formed, only the incoming electrons are now able to interact resonantly with them. But only a part of these electrons fulfill the the electron--whistler wave resonance condition. Due to such resonant interaction (i.e., of these electrons with the whistlers), the electrons are accelerated in the electric and magnetic wave field within just several whistler periods. While gaining energy from the whistler wave field, the electrons reach the shock front and, subsequently, a major part of them are reflected back into the upstream region, since the shock accompanied with a jump of the magnetic field acts as a magnetic mirror. Co-moving with the whistlers now, the reflected electrons are out of resonance and hence can propagate undisturbed into the far upstream region, where they are detected in terms of type II metric radio bursts. In summary, the kinetic energy of protons is transfered into electrons by the action of localized wave structures in both cases, i.e., at jets outflowing from the magnetic reconnection site and at shock waves in the corona.}, language = {en} } @phdthesis{Born2021, author = {Born, Artur}, title = {Electronic structure, quasi-particle interaction and relaxation in 3d-elements from X-ray spectroscopy}, school = {Universit{\"a}t Potsdam}, pages = {123}, year = {2021}, abstract = {Any physical system can be described on the level of interacting particles, thus it is of fundamental importance to improve the scientific understanding of interacting many-body systems. This thesis experimentally addresses specific quasi-particle interactions, namely interactions be- tween electrons and between electrons and phonons. It describes the consequential effects of those processes on the electronic structure and the core-hole relaxation pathways in 3d metals. Despite the great amount of experimental and theoretical studies of these interactions and their impact on the behavior of solid-state matter, there are still open questions concerning the cor- responding physical, chemical and mechanical properties of solid-state matter. Especially, the study of 3d metals and their compounds is a great experimental challenge, since those exhibit a variety of spectral features originating from many-body effects such as multiplet splitting, shake up/off satellites, vibrationally excited states or more complex effects like superconductivity and ultrafast demagnetization. In X-ray spectroscopy, these effects often produce overlapping fea- tures, complicating the analysis and limiting the understanding. In this thesis, to overcome the limitations set by conventional X-ray spectroscopy, two different experimental approaches were successfully refined, namely Auger electron photoelectron coincidence spectroscopy (APECS) and temperature-dependent X-ray emission spectroscopy (tXES), which enabled the separation of different core-hole relaxation pathways and the isolation of the impact of specific many-body interactions in the experimental spectra. APECS was utilized at the new Coincidence electron spectroscopy for chemical analysis (Co- ESCA) station at BESSY II to study the core-hole decay and electron-correlation effects in single- crystal Ni, Cu and Co. The observation of photoelectrons in coincidence with Auger electrons allows for the separation of the initial and final state effects in the Auger electron spectra. The results show that a Cu LV V Auger spectrum can be represented by broadened atomic multiplets confirming the localized nature of the intermediate core-hole states. In contrast, the Co LV V Auger spectrum is band-like and can be represented by the self-convolution of the valence band. Ni behaves mixed, localized and itinerant. Thus, the Ni Auger spectrum can only be represented by a mixture of atomic multiplet peaks and the self-convoluted valence band. In the case of Ni, the LV V Auger electrons in coincidence with the 6 eV satellite photoelectrons were also stud- ied. Utilizing the core-hole clock method, the lifetime of the localized double-hole intermediate 2 p53d9 states of 1.8 fs could be determined. However, a fraction of these states delocalizes before the Auger decay contributing to the main peak. A similar delocalization was observed for the double-hole states produced by the L2L3M4,5 Coster-Kronig process. Additionally, the influence of surface oxidation on the Ni(111) 3p levels was studied with APECS. The Ni 3p PES spectrum is broad and featureless, due to overlapping many-body effects and gives little chance for exact analysis using conventional photoelectron spectroscopy. Utilizing APECS or precisely the final state selectivity of the method, the spectral width of the 3p levels could be narrowed and their positions and the spin-orbit splitting were determined. Moreover, due to the surface sensitivity of the method, the chemically shifted 3p photoelectron peaks originating from the oxidized surface and the bulk Ni were disentangled. For the study of the atomic electron-phonon spin-flip scattering in 3d metals as a spin-relaxation channel, the tXES method at the SolidFlexRIXS station was developed. The atomic spin-flip scat- tering was studied in single-crystal Ni, Cu, Co and in FeNi alloys, which show considerable dif- ferences in their behavior. The scattering rate in Ni increases with temperature, whereas the rate in Cu and Co remains constant within the measured temperature range up to 1000 K. In FeNi alloys, our results reveal that the spin-flip scattering is restricted by sublattice exchange energies J. The electron-phonon scattering driven spin-flips only appear in the case where the thermal energy ex- ceeds the exchange energy kT > J. This thresholding is an important microscopic process for the description of the sublattice dynamics in alloys, but as shown also relevant for elemental magnetic systems. Overall, the results strongly indicate that the spin-flip probability is correlated with the exchange energy, which might become an important parameter in the ultrafast demagnetization debate. Taken together, the applied experimental approaches allowed to study complex many-body effects in 3d metals. The results show that utilizing APECS enabled the distinction and clear assignment of otherwise overlapping features in AES or PES spectra of Ni, Cu, Co and NiO. This is of fundamental importance for the basic understanding of photoionization and core-hole decay processes but also for the chemical analysis in applied science. The measurement of the atomic electron-phonon spin-flip scattering rate utilizing tXES shows that the electron-phonon spin-flip scattering is a relevant atomic process for the macroscopic demagnetization process. Additionally, a temperature-dependent thresholding mechanism was discovered, which introduces an important dynamic factor into the electron-phonon spin-flip model.}, language = {en} } @phdthesis{Eschenlohr2012, author = {Eschenlohr, Andrea}, title = {Element-resolved ultrafast magnetization dynamics in ferromagnetic alloys and multilayers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-62846}, school = {Universit{\"a}t Potsdam}, year = {2012}, abstract = {The microscopic origin of ultrafast demagnetization, i.e. the quenching of the magnetization of a ferromagnetic metal on a sub-picosecond timescale after laser excitation, is still only incompletely understood, despite a large body of experimental and theoretical work performed since the discovery of the effect more than 15 years ago. Time- and element-resolved x-ray magnetic circular dichroism measurements can provide insight into the microscopic processes behind ultrafast demagnetization as well as its dependence on materials properties. Using the BESSY II Femtoslicing facility, a storage ring based source of 100 fs short soft x-ray pulses, ultrafast magnetization dynamics of ferromagnetic NiFe and GdTb alloys as well as a Au/Ni layered structure were investigated in laser pump - x-ray probe experiments. After laser excitation, the constituents of Ni50Fe50 and Ni80Fe20 exhibit distinctly different time constants of demagnetization, leading to decoupled dynamics, despite the strong exchange interaction that couples the Ni and Fe sublattices under equilibrium conditions. Furthermore, the time constants of demagnetization for Ni and Fe are different in Ni50Fe50 and Ni80Fe20, and also different from the values for the respective pure elements. These variations are explained by taking the magnetic moments of the Ni and Fe sublattices, which are changed from the pure element values due to alloying, as well as the strength of the intersublattice exchange interaction into account. GdTb exhibits demagnetization in two steps, typical for rare earths. The time constant of the second, slower magnetization decay was previously linked to the strength of spin-lattice coupling in pure Gd and Tb, with the stronger, direct spin-lattice coupling in Tb leading to a faster demagnetization. In GdTb, the demagnetization of Gd follows Tb on all timescales. This is due to the opening of an additional channel for the dissipation of spin angular momentum to the lattice, since Gd magnetic moments in the alloy are coupled via indirect exchange interaction to neighboring Tb magnetic moments, which are in turn strongly coupled to the lattice. Time-resolved measurements of the ultrafast demagnetization of a Ni layer buried under a Au cap layer, thick enough to absorb nearly all of the incident pump laser light, showed a somewhat slower but still sub-picosecond demagnetization of the buried Ni layer in Au/Ni compared to a Ni reference sample. Supported by simulations, I conclude that demagnetization can thus be induced by transport of hot electrons excited in the Au layer into the Ni layer, without the need for direct interaction between photons and spins.}, language = {en} } @phdthesis{Schubert2014, author = {Schubert, Marcel}, title = {Elementary processes in layers of electron transporting Donor-acceptor copolymers : investigation of charge transport and application to organic solar cells}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-70791}, school = {Universit{\"a}t Potsdam}, year = {2014}, abstract = {Donor-acceptor (D-A) copolymers have revolutionized the field of organic electronics over the last decade. Comprised of a electron rich and an electron deficient molecular unit, these copolymers facilitate the systematic modification of the material's optoelectronic properties. The ability to tune the optical band gap and to optimize the molecular frontier orbitals as well as the manifold of structural sites that enable chemical modifications has created a tremendous variety of copolymer structures. Today, these materials reach or even exceed the performance of amorphous inorganic semiconductors. Most impressively, the charge carrier mobility of D-A copolymers has been pushed to the technologically important value of 10 cm^{2}V^{-1}s^{-1}. Furthermore, owed to their enormous variability they are the material of choice for the donor component in organic solar cells, which have recently surpassed the efficiency threshold of 10\%. Because of the great number of available D-A copolymers and due to their fast chemical evolution, there is a significant lack of understanding of the fundamental physical properties of these materials. Furthermore, the complex chemical and electronic structure of D-A copolymers in combination with their semi-crystalline morphology impede a straightforward identification of the microscopic origin of their superior performance. In this thesis, two aspects of prototype D-A copolymers were analysed. These are the investigation of electron transport in several copolymers and the application of low band gap copolymers as acceptor component in organic solar cells. In the first part, the investigation of a series of chemically modified fluorene-based copolymers is presented. The charge carrier mobility varies strongly between the different derivatives, although only moderate structural changes on the copolymers structure were made. Furthermore, rather unusual photocurrent transients were observed for one of the copolymers. Numerical simulations of the experimental results reveal that this behavior arises from a severe trapping of electrons in an exponential distribution of trap states. Based on the comparison of simulation and experiment, the general impact of charge carrier trapping on the shape of photo-CELIV and time-of-flight transients is discussed. In addition, the high performance naphthalenediimide (NDI)-based copolymer P(NDI2OD-T2) was characterized. It is shown that the copolymer posses one of the highest electron mobilities reported so far, which makes it attractive to be used as the electron accepting component in organic photovoltaic cells.\par Solar cells were prepared from two NDI-containing copolymers, blended with the hole transporting polymer P3HT. I demonstrate that the use of appropriate, high boiling point solvents can significantly increase the power conversion efficiency of these devices. Spectroscopic studies reveal that the pre-aggregation of the copolymers is suppressed in these solvents, which has a strong impact on the blend morphology. Finally, a systematic study of P3HT:P(NDI2OD-T2) blends is presented, which quantifies the processes that limit the efficiency of devices. The major loss channel for excited states was determined by transient and steady state spectroscopic investigations: the majority of initially generated electron-hole pairs is annihilated by an ultrafast geminate recombination process. Furthermore, exciton self-trapping in P(NDI2OD-T2) domains account for an additional reduction of the efficiency. The correlation of the photocurrent to microscopic morphology parameters was used to disclose the factors that limit the charge generation efficiency. Our results suggest that the orientation of the donor and acceptor crystallites relative to each other represents the main factor that determines the free charge carrier yield in this material system. This provides an explanation for the overall low efficiencies that are generally observed in all-polymer solar cells.}, language = {en} } @phdthesis{Marwan2003, author = {Marwan, Norbert}, title = {Encounters with neighbours}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0000856}, school = {Universit{\"a}t Potsdam}, year = {2003}, abstract = {Diese Arbeit besch{\"a}ftigt sich mit verschiedenen Aspekten und Anwendungen von Recurrence Plots. Nach einer {\"U}bersicht {\"u}ber Methoden, die auf Recurrence Plots basieren, werden neue Komplexit{\"a}tsmaße eingef{\"u}hrt, die geometrische Strukturen in den Recurrence Plots beschreiben. Diese neuen Maße erlauben die Identifikation von Chaos-Chaos-{\"U}berg{\"a}ngen in dynamischen Prozessen. In einem weiteren Schritt werden Cross Recurrence Plots eingef{\"u}hrt, mit denen zwei verschiedene Prozesse untersucht werden. Diese bivariate Analyse erm{\"o}glicht die Bewertung von Unterschieden zwischen zwei Prozessen oder das Anpassen der Zeitskalen von zwei Zeitreihen. Diese Technik kann auch genutzt werden, um {\"a}hnliche Abschnitte in zwei verschiedenen Datenreihen zu finden. Im Anschluß werden diese neuen Entwicklungen auf Daten verschiedener Art angewendet. Methoden, die auf Recurrence Plots basieren, k{\"o}nnen an die speziellen Probleme angepaßt werden, so daß viele weitere Anwendungen m{\"o}glich sind. Durch die Anwendung der neu eingef{\"u}hrten Komplexit{\"a}tsmaße k{\"o}nnen Chaos-Chaos-{\"U}berg{\"a}nge in Herzschlagdaten vor dem Auftreten einer lebensbedrohlichen Herzrhythmusst{\"o}rung festgestellt werden, was f{\"u}r die Entwicklung neuer Therapien dieser Herzrhythmusst{\"o}rungen von Bedeutung sein k{\"o}nnte. In einem weiteren Beispiel, in dem EEG-Daten aus einem kognitiv orientierten Experiment untersucht werden, erm{\"o}glichen diese Komplexit{\"a}tsmaße das Erkennen von spezifischen Reaktionen im Gehirn bereits in Einzeltests. Normalerweise k{\"o}nnen diese Reaktionen erst durch die Auswertung von vielen Einzeltests erkannt werden. Mit der Hilfe von Cross Recurrence Plots wird die Existenz einer klimatischen Zirkulation, die der heutigen El Ni{\~n}o/ Southern Oscillation sehr {\"a}hnlich ist, im Nordwesten Argentiniens vor etwa 34000 Jahren nachgewiesen. Außerdem k{\"o}nnen mit Cross Recurrence Plots die Zeitskalen verschiedener Bohrlochdaten aufeinander abgeglichen werden. Diese Methode kann auch dazu genutzt werden, ein geologisches Profil mit Hilfe eines Referenzprofiles mit bekannter Zeitskala zu datieren. Weitere Beispiele aus den Gebieten der Molekularbiologie und der Spracherkennung unterstreichen das Potential dieser Methode.}, language = {en} } @phdthesis{Sun2024, author = {Sun, Bowen}, title = {Energy losses in low-offset organic solar cells}, doi = {10.25932/publishup-62143}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-621430}, school = {Universit{\"a}t Potsdam}, pages = {xxi, 190}, year = {2024}, abstract = {Organic solar cells (OSCs) represent a new generation of solar cells with a range of captivating attributes including low-cost, light-weight, aesthetically pleasing appearance, and flexibility. Different from traditional silicon solar cells, the photon-electron conversion in OSCs is usually accomplished in an active layer formed by blending two kinds of organic molecules (donor and acceptor) with different energy levels together. The first part of this thesis focuses on a better understanding of the role of the energetic offset and each recombination channel on the performance of these low-offset OSCs. By combining advanced experimental techniques with optical and electrical simulation, the energetic offsets between CT and excitons, several important insights were achieved: 1. The short circuit current density and fill-factor of low-offset systems are largely determined by field-dependent charge generation in such low-offset OSCs. Interestingly, it is strongly evident that such field-dependent charge generation originates from a field-dependent exciton dissociation yield. 2. The reduced energetic offset was found to be accompanied by strongly enhanced bimolecular recombination coefficient, which cannot be explained solely by exciton repopulation from CT states. This implies the existence of another dark decay channel apart from CT. The second focus of the thesis was on the technical perspective. In this thesis, the influence of optical artifacts in differential absorption spectroscopy upon the change of sample configuration and active layer thickness was studied. It is exemplified and discussed thoroughly and systematically in terms of optical simulations and experiments, how optical artifacts originated from non-uniform carrier profile and interference can manipulate not only the measured spectra, but also the decay dynamics in various measurement conditions. In the end of this study, a generalized methodology based on an inverse optical transfer matrix formalism was provided to correct the spectra and decay dynamics manipulated by optical artifacts. Overall, this thesis paves the way for a deeper understanding of the keys toward higher PCEs in low-offset OSC devices, from the perspectives of both device physics and characterization techniques.}, language = {en} } @phdthesis{Lepro2021, author = {Lepro, Valentino}, title = {Experimental and theoretical study on amoeboid cell-cargo active motion}, doi = {10.25932/publishup-49089}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-490890}, school = {Universit{\"a}t Potsdam}, pages = {xx, 114}, year = {2021}, abstract = {As society paves its way towards device miniaturization and precision medicine, micro-scale actuation and guided transport become increasingly prominent research fields, with high potential impact in both technological and clinical contexts. In order to accomplish directed motion of micron-sized objects, as biosensors and drug-releasing microparticles, towards specific target sites, a promising strategy is the use of living cells as smart biochemically-powered carriers, building the so-called bio-hybrid systems. Inspired by leukocytes, native cells of living organisms efficiently migrating to critical targets as tumor tissue, an emerging concept is to exploit the amoeboid crawling motility of such cells as mean of transport for drug delivery applications. In the research work described in this thesis, I synergistically applied experimental, computational and theoretical modeling approaches to investigate the behaviour and transport mechanism of a novel kind of bio-hybrid system for active transport at the micro-scale, referred to as cellular truck. This system consists of an amoeboid crawling cell, the carrier, attached to a microparticle, the cargo, which may ideally be drug-loaded for specific therapeutic treatments. For the purposes of experimental investigation, I employed the amoeba Dictyostelium discoideum as crawling cellular carrier, being a renowned model organism for leukocyte migration and, in general, for eukaryotic cell motility. The performed experiments revealed a complex recurrent cell-cargo relative motion, together with an intermittent motility of the cellular truck as a whole. The evidence suggests the presence of cargoes on amoeboid cells to act as mechanical stimulus leading cell polarization, thus promoting cell motility and giving rise to the observed intermittent dynamics of the truck. Particularly, bursts in cytoskeletal polarity along the cell-cargo axis have been found to occur in time with a rate dependent on cargo geometrical features, as particle diameter. Overall, the collected experimental evidence pointed out a pivotal role of cell-cargo interactions in the emergent cellular truck motion dynamics. Especially, they can determine the transport capabilities of amoeboid cells, as the cargo size significantly impacts the cytoskeletal activity and repolarization dynamics along the cell-cargo axis, the latter responsible for truck displacement and reorientation. Furthermore, I developed a modeling framework, built upon the experimental evidence on cellular truck behaviour, that connects the relative dynamics and interactions arising at the truck scale with the actual particle transport dynamics. In fact, numerical simulations of the proposed model successfully reproduced the phenomenology of the cell-cargo system, while enabling the prediction of the transport properties of cellular trucks over larger spatial and temporal scales. The theoretical analysis provided a deeper understanding of the role of cell-cargo interaction on mass transport, unveiling in particular how the long-time transport efficiency is governed by the interplay between the persistence time of cell polarity and time scales of the relative dynamics stemming from cell-cargo interaction. Interestingly, the model predicts the existence of an optimal cargo size, enhancing the diffusivity of cellular trucks; this is in line with previous independent experimental data, which appeared rather counterintuitive and had no explanation prior to this study. In conclusion, my research work shed light on the importance of cargo-carrier interactions in the context of crawling cell-mediated particle transport, and provides a prototypical, multifaceted framework for the analysis and modelling of such complex bio-hybrid systems and their perspective optimization.}, language = {en} } @phdthesis{Eickelmann2018, author = {Eickelmann, Stephan Felix}, title = {Experimental Study of Liquid Interfaces with Compositional Gradients}, doi = {10.17617/2.3010222}, school = {Universit{\"a}t Potsdam}, pages = {153}, year = {2018}, abstract = {Der Inhalt dieser Arbeit ist die experimentelle Untersuchung von verdunstenen d{\"u}nnen Filmen auf glatten Oberfl{\"a}chen, und die Anreicherung, das Kristallwachstum so wie Marangoni-Fluss in der N{\"a}he der Dreiphasenlinie bei partiell benetzenden Mischungen aus fl{\"u}chtigen und nichtfl{\"u}chtigen Fl{\"u}ssigkeiten. Im Detail werden die Eigenschaften von planaren Fl{\"u}ssigkeitsfilmen und d{\"u}nnen Fl{\"u}ssigkeitsabschnitten in der N{\"a}he der dreiphasigen Kontaktlinie behandelt. In beiden F{\"a}llen verliert die Fl{\"u}ssigkeit kontinuierlich eine Komponente durch Verdampfung. Ein Thema ist das ntnetzungsveralten ultrad{\"u}nner Filme aus bin{\"a}ren Mischungen eines fl{\"u}chtigen L{\"o}sungsmittels und eines nichtfl{\"u}chtigen Stoffes. Dabei wird analysiert wie die Dicke, bei der der Film reißt, mit der Kristallisation des gel{\"o}sten Stoffes an der Grenzfl{\"a}che zwischen Fl{\"u}ssigkeit und Substrat in Verbindung steht, sobald der gel{\"o}ste Stoff seine {\"U}bers{\"a}ttigung erreicht. Die Resultate dieses Projektes zeigen eine universelle Beziehung zwischen der Entnetzungdicke und dem S{\"a}ttigungsverhalten. Das zweite Forschungsgebiet sind einzelne Nanopartikel, die in molekular d{\"u}nne Filme auf planaren Substraten eingebettet sind. Es zeigt sich, dass die Nanopartikel eine unerwartet große Filmoberfl{\"a}chenverzerrung (Meniskus) verursachen. Diese Verzerrung kann durch herk{\"o}mmliche Reflexionsmikroskopie quantitativ gemessen werden, obwohl die Nanopartikel viel kleiner als die Rayleigh-Beugungsgrenze sind. Untersuchungen mit bin{\"a}ren Mischungen fl{\"u}chtiger L{\"o}sungsmittel und nichtfl{\"u}chtiger Stoffe (Polymere) zielen auf ein besseres Verst{\"a}ndnis/Vorhersage der finalen Schichtdicke, zeitaufgel{\"o}sten Verd{\"u}nnung, zeitaufgel{\"o}sten Verdunstung und der Entwicklung der Konzentration des gel{\"o}sten Stoffes innerhalb des verd{\"u}nnenden Filmes. Eine quantitative theoretische Beschreibung der experimentellen Ergebnisse wird hergeleitet. Unerwarteterweise zeigen die Experimente, mit vollst{\"a}ndig mischbarer bin{\"a}rer Mischungen fl{\"u}chtiger Fl{\"u}ssigkeiten, die einzeln glatte Filme bilden, dass Filme dieser Mischungen nicht notwendigerweise kontinuierlich und glatt sind. Vielmehr k{\"o}nnen sie Oberfl{\"a}chenwellen bilden oder sogar aufreißen. Dies wird mit Oberfl{\"a}chen-Marangoni-Str{\"o}mungen erkl{\"a}rt. Es wird eine neue Methode f{\"u}r die schnelle Herstellung von ultralang gerichtetn Diphenylalanin-Einkristallen (Dip- Casting) (mm/min) vorgestellt. Dabei viii wird gezeigt, wie die spezifischen Verdunstungsbedingen an der Dreiphasenlinie f{\"u}r einen kontrollierten Peptidkristallwachstumsprozess verwendet werden k{\"o}nnen. Abschließend wird gezeigt, wie die Beschr{\"a}nkung innerhalb einer kleinen Kapillare die Peptidkristallisation beeinflusst, diese verstanden und verwendet werden kann.}, language = {en} } @phdthesis{Zou2007, author = {Zou, Yong}, title = {Exploring recurrences in quasiperiodic systems}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-16497}, school = {Universit{\"a}t Potsdam}, year = {2007}, abstract = {In this work, some new results to exploit the recurrence properties of quasiperiodic dynamical systems are presented by means of a two dimensional visualization technique, Recurrence Plots(RPs). Quasiperiodicity is the simplest form of dynamics exhibiting nontrivial recurrences, which are common in many nonlinear systems. The concept of recurrence was introduced to study the restricted three body problem and it is very useful for the characterization of nonlinear systems. I have analyzed in detail the recurrence patterns of systems with quasiperiodic dynamics both analytically and numerically. Based on a theoretical analysis, I have proposed a new procedure to distinguish quasiperiodic dynamics from chaos. This algorithm is particular useful in the analysis of short time series. Furthermore, this approach demonstrates to be efficient in recognizing regular and chaotic trajectories of dynamical systems with mixed phase space. Regarding the application to real situations, I have shown the capability and validity of this method by analyzing time series from fluid experiments.}, language = {en} } @phdthesis{Laquai2022, author = {Laquai, Ren{\´e}}, title = {Extending synchrotron X-ray refraction techniques to the quantitative analysis of metallic materials}, doi = {10.25932/publishup-54183}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-541835}, school = {Universit{\"a}t Potsdam}, pages = {vii, 71, XIV}, year = {2022}, abstract = {In this work, two X-ray refraction based imaging methods, namely, synchrotron X-ray refraction radiography (SXRR) and synchrotron X-ray refraction computed tomography (SXRCT), are applied to analyze quantitatively cracks and porosity in metallic materials. SXRR and SXRCT make use of the refraction of X-rays at inner surfaces of the material, e.g., the surfaces of cracks and pores, for image contrast. Both methods are, therefore, sensitive to smaller defects than their absorption based counterparts X-ray radiography and computed tomography. They can detect defects of nanometric size. So far the methods have been applied to the analysis of ceramic materials and fiber reinforced plastics. The analysis of metallic materials requires higher photon energies to achieve sufficient X-ray transmission due to their higher density. This causes smaller refraction angles and, thus, lower image contrast because the refraction index depends on the photon energy. Here, for the first time, a conclusive study is presented exploring the possibility to apply SXRR and SXRCT to metallic materials. It is shown that both methods can be optimized to overcome the reduced contrast due to smaller refraction angles. Hence, the only remaining limitation is the achievable X-ray transmission which is common to all X-ray imaging methods. Further, a model for the quantitative analysis of the inner surfaces is presented and verified. For this purpose four case studies are conducted each posing a specific challenge to the imaging task. Case study A investigates cracks in a coupon taken from an aluminum weld seam. This case study primarily serves to verify the model for quantitative analysis and prove the sensitivity to sub-resolution features. In case study B, the damage evolution in an aluminum-based particle reinforced metal-matrix composite is analyzed. Here, the accuracy and repeatability of subsequent SXRR measurements is investigated showing that measurement errors of less than 3 \% can be achieved. Further, case study B marks the fist application of SXRR in combination with in-situ tensile loading. Case study C is out of the highly topical field of additive manufacturing. Here, porosity in additively manufactured Ti-Al6-V4 is analyzed with a special interest in the pore morphology. A classification scheme based on SXRR measurements is devised which allows to distinguish binding defects from keyhole pores even if the defects cannot be spatially resolved. In case study D, SXRCT is applied to the analysis of hydrogen assisted cracking in steel. Due to the high X-ray attenuation of steel a comparatively high photonenergy of 50 keV is required here. This causes increased noise and lower contrast in the data compared to the other case studies. However, despite the lower data quality a quantitative analysis of the occurance of cracks in dependence of hydrogen content and applied mechanical load is possible.}, language = {en} } @phdthesis{Tukhlina2008, author = {Tukhlina, Natalia}, title = {Feedback control of complex oscillatory systems}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-18546}, school = {Universit{\"a}t Potsdam}, year = {2008}, abstract = {In the present dissertation paper an approach which ensures an efficient control of such diverse systems as noisy or chaotic oscillators and neural ensembles is developed. This approach is implemented by a simple linear feedback loop. The dissertation paper consists of two main parts. One part of the work is dedicated to the application of the suggested technique to a population of neurons with a goal to suppress their synchronous collective dynamics. The other part is aimed at investigating linear feedback control of coherence of a noisy or chaotic self-sustained oscillator. First we start with a problem of suppressing synchronization in a large population of interacting neurons. The importance of this task is based on the hypothesis that emergence of pathological brain activity in the case of Parkinson's disease and other neurological disorders is caused by synchrony of many thousands of neurons. The established therapy for the patients with such disorders is a permanent high-frequency electrical stimulation via the depth microelectrodes, called Deep Brain Stimulation (DBS). In spite of efficiency of such stimulation, it has several side effects and mechanisms underlying DBS remain unclear. In the present work an efficient and simple control technique is suggested. It is designed to ensure suppression of synchrony in a neural ensemble by a minimized stimulation that vanishes as soon as the tremor is suppressed. This vanishing-stimulation technique would be a useful tool of experimental neuroscience; on the other hand, control of collective dynamics in a large population of units represents an interesting physical problem. The main idea of suggested approach is related to the classical problem of oscillation theory, namely the interaction between a self-sustained (active) oscillator and a passive load (resonator). It is known that under certain conditions the passive oscillator can suppress the oscillations of an active one. In this thesis a much more complicated case of active medium, which itself consists of thousands of oscillators is considered. Coupling this medium to a specially designed passive oscillator, one can control the collective motion of the ensemble, specifically can enhance or suppress it. Having in mind a possible application in neuroscience, the problem of suppression is concentrated upon. Second, the efficiency of suggested suppression scheme is illustrated by considering more complex case, i.e. when the population of neurons generating the undesired rhythm consists of two non-overlapping subpopulations: the first one is affected by the stimulation, while the collective activity is registered from the second one. Generally speaking, the second population can be by itself both active and passive; both cases are considered here. The possible applications of suggested technique are discussed. Third, the influence of the external linear feedback on coherence of a noisy or chaotic self-sustained oscillator is considered. Coherence is one of the main properties of self-oscillating systems and plays a key role in the construction of clocks, electronic generators, lasers, etc. The coherence of a noisy limit cycle oscillator in the context of phase dynamics is evaluated by the phase diffusion constant, which is in its turn proportional to the width of the spectral peak of oscillations. Many chaotic oscillators can be described within the framework of phase dynamics, and, therefore, their coherence can be also quantified by the way of the phase diffusion constant. The analytical theory for a general linear feedback, considering noisy systems in the linear and Gaussian approximation is developed and validated by numerical results.}, language = {en} } @phdthesis{Chirvasa2010, author = {Chirvasa, Mihaela}, title = {Finite difference methods for 1st Order in time, 2nd order in space, hyperbolic systems used in numerical relativity}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-42135}, school = {Universit{\"a}t Potsdam}, year = {2010}, abstract = {This thesis is concerned with the development of numerical methods using finite difference techniques for the discretization of initial value problems (IVPs) and initial boundary value problems (IBVPs) of certain hyperbolic systems which are first order in time and second order in space. This type of system appears in some formulations of Einstein equations, such as ADM, BSSN, NOR, and the generalized harmonic formulation. For IVP, the stability method proposed in [14] is extended from second and fourth order centered schemes, to 2n-order accuracy, including also the case when some first order derivatives are approximated with off-centered finite difference operators (FDO) and dissipation is added to the right-hand sides of the equations. For the model problem of the wave equation, special attention is paid to the analysis of Courant limits and numerical speeds. Although off-centered FDOs have larger truncation errors than centered FDOs, it is shown that in certain situations, off-centering by just one point can be beneficial for the overall accuracy of the numerical scheme. The wave equation is also analyzed in respect to its initial boundary value problem. All three types of boundaries - outflow, inflow and completely inflow that can appear in this case, are investigated. Using the ghost-point method, 2n-accurate (n = 1, 4) numerical prescriptions are prescribed for each type of boundary. The inflow boundary is also approached using the SAT-SBP method. In the end of the thesis, a 1-D variant of BSSN formulation is derived and some of its IBVPs are considered. The boundary procedures, based on the ghost-point method, are intended to preserve the interior 2n-accuracy. Numerical tests show that this is the case if sufficient dissipation is added to the rhs of the equations.}, language = {en} } @phdthesis{Kruesemann2016, author = {Kr{\"u}semann, Henning}, title = {First passage phenomena and single-file motion in ageing continuous time random walks and quenched energy landscapes}, school = {Universit{\"a}t Potsdam}, pages = {122}, year = {2016}, abstract = {In der Physik gibt es viele Prozesse, die auf Grund ihrer Komplexit{\"a}t nicht durch physikalische Gleichungen beschrieben werden k{\"o}nnen, beispielsweise die Bewegung eines Staubkorns in der Luft. Durch die vielen St{\"o}ße mit Luftmolek{\"u}len f{\"u}hrt es eine Zufallsbewegung aus, die so genannte Diffusion. Auch Molek{\"u}le in biologischen Zellen diffundieren, jedoch befinden sich in einer solchen Zelle im selben Volumen viel mehr oder viel gr{\"o}ßere Molek{\"u}le. Das beobachtete Teilchen st{\"o}ßt dementsprechend {\"o}fter mit anderen zusammen und die Diffusion wird langsamer, sie wird subdiffusiv. Mit der Zeit kann sich die Charakteristik der Subdiffusion {\"a}ndern; dies wird als (mikroskopisches) Altern bezeichnet. Ich untersuche in der vorliegenden Arbeit zwei mathematische Modelle f{\"u}r eindimensionale Subdiffusion, einmal den continuous time random walk (CTRW) und einmal die Zufallsbewegung in einer eingefrorenen Energielandschaft (QEL=quenched energy landscape). Beide sind Sprungprozesse, das heißt, sie sind Abfolgen von r{\"a}umlichen Spr{\"u}ngen, die durch zufallsverteilte Wartezeiten getrennt sind. Die Wartezeiten in der QEL sind r{\"a}umlich korrelliert, w{\"a}hrend sie im CTRW unkorrelliert sind. Ich untersuche in der vorliegenden Arbeit verschiedene statistische Gr{\"o}ßen in beiden Modellen. Zun{\"a}chst untersuche ich den Einfluss des Alters und den Einfluss der Korrellationen einer QEL auf die Verteilung der Zeiten, die das diffundierendes Teilchen ben{\"o}tigt, um eine (r{\"a}umliche) Schwelle zu {\"u}berqueren. Ausserdem bestimme ich den Effekt des Alters auf Str{\"o}me von (sub)diffundierenden Partikeln, die sich auf eine absorbierende Barriere zubewegen. Zuletzt besch{\"a}ftige ich mich mit der Diffusion einer eindimensionalen Anordnung von Teilchen in einer QEL, in der diese als harte Kugeln miteinander wechselwirken. Dabei vergleiche ich die gemeinsame Bewegung in einer QEL und als individuelle CTRWs miteinander {\"u}ber die Standartabweichung von der Startposition, f{\"u}r die ich das Mittel {\"u}ber mehrere QELs untersuche. Meine Arbeit setzt sich zusammen aus theoretischen {\"U}berlegungen und Berechnungen sowie der Simulation der Zufallsprozesse. Die Ergebnisse der Simulation und, soweit vorhanden, experimentelle Daten werden mit der Theorie verglichen.}, language = {en} } @phdthesis{Haakh2012, author = {Haakh, Harald Richard}, title = {Fluctuation-mediated interactions of atoms and surfaces on a mesoscopic scale}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-61819}, school = {Universit{\"a}t Potsdam}, year = {2012}, abstract = {Thermal and quantum fluctuations of the electromagnetic near field of atoms and macroscopic bodies play a key role in quantum electrodynamics (QED), as in the Lamb shift. They lead, e.g., to atomic level shifts, dispersion interactions (Van der Waals-Casimir-Polder interactions), and state broadening (Purcell effect) because the field is subject to boundary conditions. Such effects can be observed with high precision on the mesoscopic scale which can be accessed in micro-electro-mechanical systems (MEMS) and solid-state-based magnetic microtraps for cold atoms ('atom chips'). A quantum field theory of atoms (molecules) and photons is adapted to nonequilibrium situations. Atoms and photons are described as fully quantized while macroscopic bodies can be included in terms of classical reflection amplitudes, similar to the scattering approach of cavity QED. The formalism is applied to the study of nonequilibrium two-body potentials. We then investigate the impact of the material properties of metals on the electromagnetic surface noise, with applications to atomic trapping in atom-chip setups and quantum computing, and on the magnetic dipole contribution to the Van der Waals-Casimir-Polder potential in and out of thermal equilibrium. In both cases, the particular properties of superconductors are of high interest. Surface-mode contributions, which dominate the near-field fluctuations, are discussed in the context of the (partial) dynamic atomic dressing after a rapid change of a system parameter and in the Casimir interaction between two conducting plates, where nonequilibrium configurations can give rise to repulsion.}, language = {en} } @phdthesis{Faber2014, author = {Faber, Michael}, title = {Folding dynamics of RNA secondary structures}, pages = {85}, year = {2014}, language = {en} } @phdthesis{Goldshteyn2014, author = {Goldshteyn, Jewgenij}, title = {Frequency-resolved ultrafast dynamics of phonon polariton wavepackets in the ferroelectric crystals LiNbO₃ and LiTaO₃}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-71623}, school = {Universit{\"a}t Potsdam}, year = {2014}, abstract = {During this work I built a four wave mixing setup for the time-resolved femtosecond spectroscopy of Raman-active lattice modes. This setup enables to study the selective excitation of phonon polaritons. These quasi-particles arise from the coupling of electro-magnetic waves and transverse optical lattice modes, the so-called phonons. The phonon polaritons were investigated in the optically non-linear, ferroelectric crystals LiNbO₃ and LiTaO₃. The direct observation of the frequency shift of the scattered narrow bandwidth probe pulses proofs the role of the Raman interaction during the probe and excitation process of phonon polaritons. I compare this experimental method with the measurement where ultra-short laser pulses are used. The frequency shift remains obscured by the relative broad bandwidth of these laser pulses. In an experiment with narrow bandwidth probe pulses, the Stokes and anti-Stokes intensities are spectrally separated. They are assigned to the corresponding counter-propagating wavepackets of phonon polaritons. Thus, the dynamics of these wavepackets was separately studied. Based on these findings, I develop the mathematical description of the so-called homodyne detection of light for the case of light scattering from counter propagating phonon polaritons. Further, I modified the broad bandwidth of the ultra-short pump pulses using bandpass filters to generate two pump pulses with non-overlapping spectra. This enables the frequency-selective excitation of polariton modes in the sample, which allows me to observe even very weak polariton modes in LiNbO₃ or LiTaO₃ that belong to the higher branches of the dispersion relation of phonon polaritons. The experimentally determined dispersion relation of the phonon polaritons could therefore be extended and compared to theoretical models. In addition, I determined the frequency-dependent damping of phonon polaritons.}, language = {en} } @phdthesis{Brose2020, author = {Brose, Robert}, title = {From dawn till dusk}, doi = {10.25932/publishup-47086}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-470865}, school = {Universit{\"a}t Potsdam}, pages = {xiii, 146}, year = {2020}, abstract = {Supernova remnants are believed to be the source of cosmic rays with energies up to 10^15 eV that are produced within our Galaxy. The acceleration mechanism associated with the collision-less shocks in supernova remnants - diffusive shock acceleration - predicts a spectral index of the accelerated non-thermal particles of s = 2. However, measurements of non-thermal emission in radio, X-rays and gamma-rays reveal significant deviations of the particles spectral index from the canonical value of s = 2. The youngest Galactic supernova remnant G1.9+0.3 is an interesting target for next-generation gamma-ray observatories. So far, the remnant is only detected in the radio and the X-ray bands, but its young age of ≈100 yrs and inferred shock speed of ≈ 14, 000 km/s could make it an efficient particle accelerator. I performed spherical symmetric 1D simulations with the RATPaC code, in which I simultaneously solved the transport equation for cosmic rays, the transport equation for magnetic turbulence, and the hydro-dynamical equations for the gas flow. Separately computed distributions of the particles accelerated at the forward and the reverse shock were then used to calculate the spectra of synchrotron, inverse Compton, and Pion-decay radiation from the source. The emission from G1.9+0.3 can be self-consistently explained within the test-particle limit. I find that the X-ray flux is dominated by emission from the forward shock while most of the radio emission originates near the reverse shock, which makes G1.9+0.3 the first remnant with non-thermal radiation detected from the reverse shock. The flux of very-high-energy gamma-ray emission from G1.9+0.3 is expected to be close to the sensitivity threshold of the Cherenkov Telescope Array. The limited time available to grow large-scale turbulence limits the maximum energy of particles to values below 100 TeV, hence G1.9+0.3 is not a PeVatron. Although there are many models for the acceleration of cosmic rays in Supernova remnants, the escape of cosmic rays from these sources is yet understudied. I use our time-dependent acceleration code RATPaC to study the acceleration of cosmic rays and their escape in post-adiabatic Supernova remnants and calculate the subsequent gamma-ray emission from inverse-Compton scattering and Pion decay. My simulations span 100,000 years, thus covering the free-expansion, the Sedov-Taylor, and the beginning of the post-adiabatic phase of the remnant's evolution. At later stages of the evolution cosmic rays over a wide range of energy can reside outside of the remnant, creating spectra that are softer than predicted by standard diffusive shock acceleration and feature breaks in the 10 - 100 GeV-range. The total spectrum of cosmic rays released into the interstellar medium has a spectral index of s ≈ 2.4 above roughly 10 GeV which is close to that required by Galactic propagation models. I further find the gamma-ray luminosity to peak around an age of 4,000 years for inverse-Compton-dominated high-energy emission. Remnants expanding in low-density media emit generally more inverse-Compton radiation matching the fact that the brightest known supernova remnants - RCW86, Vela Jr, HESSJ1721-347 and RXJ1713.7-3946 - are all expanding in low density environments. The importance of feedback from the cosmic-rays on the hydrodynamical evolution of the remnants is debated as a possibility to obtain soft cosmic-ray spectra at low energies. I performed spherically symmetric 1-D simulations with a modified version of the RATPaC code, in which I simultaneously solve the transport equation for cosmic rays and the hydrodynamical equations, including the back-reaction of the cosmic-ray pressure on the flow profiles. Besides the known modification of the flow profiles and the consequently curved cosmic-ray spectra, steady-state models for non-linear diffusive shock acceleration overpredict the total compression ratio that can be reached with cosmic-ray feedback, as there is limited time for building these modifications. Further, I find modifications to the downstream flow structure that change the evolutionary behavior of the remnant and trigger a cosmic-ray-induced instability close to the contact discontinuity, if and when the cosmic-ray pressure becomes dominant there.}, language = {en} } @phdthesis{Sauter2015, author = {Sauter, Tilman}, title = {Function by structure}, school = {Universit{\"a}t Potsdam}, pages = {166}, year = {2015}, language = {en} } @phdthesis{Schroeder2024, author = {Schr{\"o}der, Jakob}, title = {Fundamentals of diffraction-based residual stress and texture analysis of laser powder bed fused Inconel 718}, doi = {10.25932/publishup-62197}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-621972}, school = {Universit{\"a}t Potsdam}, pages = {XVII, 135}, year = {2024}, abstract = {Additive manufacturing (AM) processes enable the production of metal structures with exceptional design freedom, of which laser powder bed fusion (PBF-LB) is one of the most common. In this process, a laser melts a bed of loose feedstock powder particles layer-by-layer to build a structure with the desired geometry. During fabrication, the repeated melting and rapid, directional solidification create large temperature gradients that generate large thermal stress. This thermal stress can itself lead to cracking or delamination during fabrication. More often, large residual stresses remain in the final part as a footprint of the thermal stress. This residual stress can cause premature distortion or even failure of the part in service. Hence, knowledge of the residual stress field is critical for both process optimization and structural integrity. Diffraction-based techniques allow the non-destructive characterization of the residual stress fields. However, such methods require a good knowledge of the material of interest, as certain assumptions must be made to accurately determine residual stress. First, the measured lattice plane spacings must be converted to lattice strains with the knowledge of a strain-free material state. Second, the measured lattice strains must be related to the macroscopic stress using Hooke's law, which requires knowledge of the stiffness of the material. Since most crystal structures exhibit anisotropic material behavior, the elastic behavior is specific to each lattice plane of the single crystal. Thus, the use of individual lattice planes in monochromatic diffraction residual stress analysis requires knowledge of the lattice plane-specific elastic properties. In addition, knowledge of the microstructure of the material is required for a reliable assessment of residual stress. This work presents a toolbox for reliable diffraction-based residual stress analysis. This is presented for a nickel-based superalloy produced by PBF-LB. First, this work reviews the existing literature in the field of residual stress analysis of laser-based AM using diffraction-based techniques. Second, the elastic and plastic anisotropy of the nickel-based superalloy Inconel 718 produced by PBF-LB is studied using in situ energy dispersive synchrotron X-ray and neutron diffraction techniques. These experiments are complemented by ex situ material characterization techniques. These methods establish the relationship between the microstructure and texture of the material and its elastic and plastic anisotropy. Finally, surface, sub-surface, and bulk residual stress are determined using a texture-based approach. Uncertainties of different methods for obtaining stress-free reference values are discussed. The tensile behavior in the as-built condition is shown to be controlled by texture and cellular sub-grain structure, while in the heat-treated condition the precipitation of strengthening phases and grain morphology dictate the behavior. In fact, the results of this thesis show that the diffraction elastic constants depend on the underlying microstructure, including texture and grain morphology. For columnar microstructures in both as-built and heat-treated conditions, the diffraction elastic constants are best described by the Reuss iso-stress model. Furthermore, the low accumulation of intergranular strains during deformation demonstrates the robustness of using the 311 reflection for the diffraction-based residual stress analysis with columnar textured microstructures. The differences between texture-based and quasi-isotropic approaches for the residual stress analysis are shown to be insignificant in the observed case. However, the analysis of the sub-surface residual stress distributions show, that different scanning strategies result in a change in the orientation of the residual stress tensor. Furthermore, the location of the critical sub-surface tensile residual stress is related to the surface roughness and the microstructure. Finally, recommendations are given for the diffraction-based determination and evaluation of residual stress in textured additively manufactured alloys.}, language = {en} } @phdthesis{Federici2014, author = {Federici, Simone}, title = {Gamma-ray studies of the young shell-type SNR RX J1713.7-3946}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-71734}, school = {Universit{\"a}t Potsdam}, year = {2014}, abstract = {One of the most significant current discussions in Astrophysics relates to the origin of high-energy cosmic rays. According to our current knowledge, the abundance distribution of the elements in cosmic rays at their point of origin indicates, within plausible error limits, that they were initially formed by nuclear processes in the interiors of stars. It is also believed that their energy distribution up to 1018 eV has Galactic origins. But even though the knowledge about potential sources of cosmic rays is quite poor above „ 1015 eV, that is the "knee" of the cosmic-ray spectrum, up to the knee there seems to be a wide consensus that supernova remnants are the most likely candidates. Evidence of this comes from observations of non-thermal X-ray radiation, requiring synchrotron electrons with energies up to 1014 eV, exactly in the remnant of supernovae. To date, however, there is not conclusive evidence that they produce nuclei, the dominant component of cosmic rays, in addition to electrons. In light of this dearth of evidence, γ-ray observations from supernova remnants can offer the most promising direct way to confirm whether or not these astrophysical objects are indeed the main source of cosmic-ray nuclei below the knee. Recent observations with space- and ground-based observatories have established shell-type supernova remnants as GeV-to- TeV γ-ray sources. The interpretation of these observations is however complicated by the different radiation processes, leptonic and hadronic, that can produce similar fluxes in this energy band rendering ambiguous the nature of the emission itself. The aim of this work is to develop a deeper understanding of these radiation processes from a particular shell-type supernova remnant, namely RX J1713.7-3946, using observations of the LAT instrument onboard the Fermi Gamma-Ray Space Telescope. Furthermore, to obtain accurate spectra and morphology maps of the emission associated with this supernova remnant, an improved model of the diffuse Galactic γ-ray emission background is developed. The analyses of RX J1713.7-3946 carried out with this improved background show that the hard Fermi-LAT spectrum cannot be ascribed to the hadronic emission, leading thus to the conclusion that the leptonic scenario is instead the most natural picture for the high-energy γ-ray emission of RX J1713.7-3946. The leptonic scenario however does not rule out the possibility that cosmic-ray nuclei are accelerated in this supernova remnant, but it suggests that the ambient density may not be high enough to produce a significant hadronic γ-ray emission. Further investigations involving other supernova remnants using the improved back- ground developed in this work could allow compelling population studies, and hence prove or disprove the origin of Galactic cosmic-ray nuclei in these astrophysical objects. A break- through regarding the identification of the radiation mechanisms could be lastly achieved with a new generation of instruments such as CTA.}, language = {en} } @phdthesis{Damle2023, author = {Damle, Mitali}, title = {Gas distribution around galaxies in cosmological simulations}, doi = {10.25932/publishup-59054}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-590543}, school = {Universit{\"a}t Potsdam}, pages = {ii, xii, 146}, year = {2023}, abstract = {The evolution of a galaxy is pivotally governed by its pattern of star formation over a given period of time. The star formation rate at any given time is strongly dependent on the amount of cold gas available in the galaxy. Accretion of pristine gas from the Intergalactic medium (IGM) is thought to be one of the primary sources for star-forming gas. This gas first passes through the virial regions of the galaxy before reaching the Interstellar medium (ISM), the hub of star formation. On the other hand, owing to the evolutionary course of young and massive stars, energetic winds are ejected from the ISM to the virial regions of the galaxy. A bunch of interlinked, complex astrophysical processes, arising from the concurrent presence of both infalling as well as outbound gas, play out over a range of timescales in the halo region or the Circumgalactic medium (CGM) of a galaxy. It would not be incorrect to say that the CGM has a stronghold over the gas reserves of a galaxy and thus, plays a backhand, yet, rather pivotal role in shaping many galactic properties, some of which are also readily observable. Observing the multi-phase CGM (via spectral-line ion measurements), however, remains a non-trivial effort even today. Low particle densities as well as the CGM's vast spatial extent, coupled with likely deviations from a spherical distribution, marr the possibility of obtaining complete, unbiased, high-quality spectral information tracing the full extent of the gaseous halo. This often incomplete information leads to multiple inferences about the CGM properties that give rise to multiple contradicting models. In this regard, computer simulations offer a neat solution towards testing and, subsequently, falsifying many of these existing CGM models. Thanks to their controlled environments, simulations are able to not only effortlessly transcend several orders of magnitude in time and space, but also get around many of the observational limitations and provide some unique views on many CGM properties. In this thesis, I focus on effectively using different computer simulations to understand the role of CGM in various astrophysical contexts, namely, the effect of Local Group (LG) environment, major merger events and satellite galaxies. In Chapter 2, I discuss the approach used for modeling various phases of the simulated z = 0 LG CGM in Hestia constrained simulations. Each of the three realizations contain a Milky Way (MW)-Andromeda (M31) galaxy pair, along with their corresponding sets of satellite galaxies, all embedded within the larger cosmological context. For characterizing the different temperature-density phases within the CGM, I model five tracer ions with cloudy ionization modeling. The cold and cool-ionized CGM (H i and Si iii respectively) in Hestia is very clumpy and distributed close to the galactic centers, while the warm-hot and hot CGM (O vi, O vii and O viii) is tenuous and volume-filling. On comparing the H i and Si iii column densities for the simulated M31 with observational measurements from Project AMIGA survey and other low-z galaxies, I found that Hestia galaxies produced less gas in the outer CGM, unlike observations. My carefully designed observational bias model subsequently revealed the possibility that some MW gas clouds might be incorrectly associated with the M31 CGM in observations, and hence, may be partly responsible for giving rise to the detected mismatch between simulated data and observations. In Chapter 3, I present results from four zoom-in, major merger, gas-rich simulations and the subsequent role of the gas, originally situated in the CGM, in influencing some of the galactic observables. The progenitor parameters are selected such that the post-merger remnants are MW-mass galaxies. We generally see a very clear gas bridge joining the merging galaxies in case of multiple passage mergers while such a bridge is mostly absent when a direct collision occurs. On the basis of particle-to-galaxy distance computations and tracer particle analysis, I found that about 33-48 percent of the cold gas contributing to the merger-induced star formation in the bridge originated from the CGM regions. In Chapter 4, I used a sample of 234 MW-mass, L* galaxies from the TNG50 cosmological simulations, with an aim of characterizing the impact of their global satellite populations on the extended cold CGM properties of their host L* halos. On the basis of halo mass and number of satellite galaxies (N_sats ), I categorized the sample into low and high mass bins, and subsequently into bottom, inter and top quartiles respectively. After confirming that satellites indeed influence the extended cold halo gas density profiles of the host galaxies, I investigated the effects of different satellite population parameters on the host halo cold CGMs. My analysis showed that there is hardly any cold gas associated with the satellite population of the lowest mass halos. The stellar mass of the most massive satellite (M_*mms ) impacted the cold gas in low mass bin halos the most, while N_sats (followed by M_*mms ) was the most influential factor for the high mass halos. In any case, how easily cold gas was stripped off the most massive satellite did not play much role. The number of massive (Stellar mass, M* > 10^8 M_solar) satellites as well as the M_*mms associated with a galaxy are two of the most crucial parameters determining how much cold gas ultimately finds its way from the satellites to the host halo. Low mass galaxies are found rather lacking on both these fronts unlike their high mass counterparts. This work highlights some aspects of the complex gas physics that constitute the basic essence of a low-z CGM. My analysis proved the importance of a cosmological environment, local surroundings and merger history in defining some key observable properties of a galactic CGM. Furthermore, I found that different satellite properties were responsible for affecting the cold-dense CGM of the low and high-mass parent galaxies. Finally, the LG emerged as an exciting prospect for testing and pinning down several intricate details about the CGM.}, language = {en} } @phdthesis{Dionysopoulou2016, author = {Dionysopoulou, Kyriaki}, title = {General-relativistic magnetohydrodynamics in compact objects}, school = {Universit{\"a}t Potsdam}, pages = {144}, year = {2016}, language = {en} } @phdthesis{Albrecht2014, author = {Albrecht, Steve}, title = {Generation, recombination and extraction of charges in polymer}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-72285}, school = {Universit{\"a}t Potsdam}, pages = {144}, year = {2014}, abstract = {A dramatic efficiency improvement of bulk heterojunction solar cells based on electron-donating conjugated polymers in combination with soluble fullerene derivatives has been achieved over the past years. Certified and reported power conversion efficiencies now reach over 9\% for single junctions and exceed the 10\% benchmark for tandem solar cells. This trend brightens the vision of organic photovoltaics becoming competitive with inorganic solar cells including the realization of low-cost and large-area organic photovoltaics. For the best performing organic materials systems, the yield of charge generation can be very efficient. However, a detailed understanding of the free charge carrier generation mechanisms at the donor acceptor interface and the energy loss associated with it needs to be established. Moreover, organic solar cells are limited by the competition between charge extraction and free charge recombination, accounting for further efficiency losses. A conclusive picture and the development of precise methodologies for investigating the fundamental processes in organic solar cells are crucial for future material design, efficiency optimization, and the implementation of organic solar cells into commercial products. In order to advance the development of organic photovoltaics, my thesis focuses on the comprehensive understanding of charge generation, recombination and extraction in organic bulk heterojunction solar cells summarized in 6 chapters on the cumulative basis of 7 individual publications. The general motivation guiding this work was the realization of an efficient hybrid inorganic/organic tandem solar cell with sub-cells made from amorphous hydrogenated silicon and organic bulk heterojunctions. To realize this project aim, the focus was directed to the low band-gap copolymer PCPDTBT and its derivatives, resulting in the examination of the charge carrier dynamics in PCPDTBT:PC70BM blends in relation to by the blend morphology. The phase separation in this blend can be controlled by the processing additive diiodooctane, enhancing domain purity and size. The quantitative investigation of the free charge formation was realized by utilizing and improving the time delayed collection field technique. Interestingly, a pronounced field dependence of the free carrier generation for all blends is found, with the field dependence being stronger without the additive. Also, the bimolecular recombination coefficient for both blends is rather high and increases with decreasing internal field which we suggest to be caused by a negative field dependence of mobility. The additive speeds up charge extraction which is rationalized by the threefold increase in mobility. By fluorine attachment within the electron deficient subunit of PCPDTBT, a new polymer F-PCPDTBT is designed. This new material is characterized by a stronger tendency to aggregate as compared to non-fluorinated PCPDTBT. Our measurements show that for F-PCPDTBT:PCBM blends the charge carrier generation becomes more efficient and the field-dependence of free charge carrier generation is weakened. The stronger tendency to aggregate induced by the fluorination also leads to increased polymer rich domains, accompanied in a threefold reduction in the non-geminate recombination coefficient at conditions of open circuit. The size of the polymer domains is nicely correlated to the field-dependence of charge generation and the Langevin reduction factor, which highlights the importance of the domain size and domain purity for efficient charge carrier generation. In total, fluorination of PCPDTBT causes the PCE to increase from 3.6 to 6.1\% due to enhanced fill factor, short circuit current and open circuit voltage. Further optimization of the blend ratio, active layer thickness, and polymer molecular weight resulted in 6.6\% efficiency for F-PCPDTBT:PC70BM solar cells. Interestingly, the double fluorinated version 2F-PCPDTBT exhibited poorer FF despite a further reduction of geminate and non-geminate recombination losses. To further analyze this finding, a new technique is developed that measures the effective extraction mobility under charge carrier densities and electrical fields comparable to solar cell operation conditions. This method involves the bias enhanced charge extraction technique. With the knowledge of the carrier density under different electrical field and illumination conditions, a conclusive picture of the changes in charge carrier dynamics leading to differences in the fill factor upon fluorination of PCPDTBT is attained. The more efficient charge generation and reduced recombination with fluorination is counterbalanced by a decreased extraction mobility. Thus, the highest fill factor of 60\% and efficiency of 6.6\% is reached for F-PCPDTBT blends, while 2F-PCPDTBT blends have only moderate fill factors of 54\% caused by the lower effective extraction mobility, limiting the efficiency to 6.5\%. To understand the details of the charge generation mechanism and the related losses, we evaluated the yield and field-dependence of free charge generation using time delayed collection field in combination with sensitive measurements of the external quantum efficiency and absorption coefficients for a variety of blends. Importantly, both the yield and field-dependence of free charge generation is found to be unaffected by excitation energy, including direct charge transfer excitation below the optical band gap. To access the non-detectable absorption at energies of the relaxed charge transfer emission, the absorption was reconstructed from the CT emission, induced via the recombination of thermalized charges in electroluminescence. For a variety of blends, the quantum yield at energies of charge transfer emission was identical to excitations with energies well above the optical band-gap. Thus, the generation proceeds via the split-up of the thermalized charge transfer states in working solar cells. Further measurements were conducted on blends with fine-tuned energy levels and similar blend morphologies by using different fullerene derivatives. A direct correlation between the efficiency of free carrier generation and the energy difference of the relaxed charge transfer state relative to the energy of the charge separated state is found. These findings open up new guidelines for future material design as new high efficiency materials require a minimum energetic offset between charge transfer and the charge separated state while keeping the HOMO level (and LUMO level) difference between donor and acceptor as small as possible.}, language = {en} } @phdthesis{Willner2018, author = {Willner, Sven N.}, title = {Global economic response to flood damages under climate change}, school = {Universit{\"a}t Potsdam}, pages = {v, 247}, year = {2018}, abstract = {Climate change affects societies across the globe in various ways. In addition to gradual changes in temperature and other climatic variables, global warming is likely to increase intensity and frequency of extreme weather events. Beyond biophysical impacts, these also directly affect societal and economic activity. Additionally, indirect effects can occur; spatially, economic losses can spread along global supply-chains; temporally, climate impacts can change the economic development trajectory of countries. This thesis first examines how climate change alters river flood risk and its local socio-economic implications. Then, it studies the global economic response to river floods in particular, and to climate change in general. Changes in high-end river flood risk are calculated for the next three decades on a global scale with high spatial resolution. In order to account for uncertainties, this assessment makes use of an ensemble of climate and hydrological models as well as a river routing model, that is found to perform well regarding peak river discharge. The results show an increase in high-end flood risk in many parts of the world, which require profound adaptation efforts. This pressure to adapt is measured as the enhancement in protection level necessary to stay at historical high-end risk. In developing countries as well as in industrialized regions, a high pressure to adapt is observed - the former to increase low protection levels, the latter to maintain the low risk levels perceived in the past. Further in this thesis, the global agent-based dynamic supply-chain model acclimate is developed. It models the cascading of indirect losses in the global supply network. As an anomaly model its agents - firms and consumers - maximize their profit locally to respond optimally to local perturbations. Incorporating quantities as well as prices on a daily basis, it is suitable to dynamically resolve the impacts of unanticipated climate extremes. The model is further complemented by a static measure, which captures the inter-dependencies between sectors across regions that are only connected indirectly. These higher-order dependencies are shown to be important for a comprehensive assessment of loss-propagation and overall costs of local disasters. In order to study the economic response to river floods, the acclimate model is driven by flood simulations. Within the next two decades, the increase in direct losses can only partially be compensated by market adjustments, and total losses are projected to increase by 17\% without further adaptation efforts. The US and the EU are both shown to receive indirect losses from China, which is strongly affected directly. However, recent trends in the trade relations leave the EU in a better position to compensate for these losses. Finally, this thesis takes a broader perspective when determining the investment response to the climate change damages employing the integrated assessment model DICE. On an optimal economic development path, the increase in damages is anticipated as emissions and consequently temperatures increase. This leads to a significant devaluation of investment returns and the income losses from climate damages almost double. Overall, the results highlight the need to adapt to extreme weather events - local physical adaptation measures have to be combined with regional and global policy measures to prepare the global supply-chain network to climate change.}, language = {en} } @phdthesis{Kondic2015, author = {Kondic, Todor}, title = {Hall-MHD Instabilities of Shear Flows in Neutron Stars}, school = {Universit{\"a}t Potsdam}, pages = {80}, year = {2015}, language = {en} } @phdthesis{Szklarski2007, author = {Szklarski, Jacek T.}, title = {Helical magnetorotational instability in MHD Taylor-Couette flow}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-16002}, school = {Universit{\"a}t Potsdam}, year = {2007}, abstract = {Magnetorotational instability (MRI) is one of the most important and most common instabilities in astrophysics. Today it is widely accepted that it serves as a major source of turbulent viscosity in accretion disks, the most energy efficient objects in the universe. The importance of the MRI for astrophysics has been realized only in recent fifteen years. However, originally it was discovered much earlier, in 1959, in a very different context. Theoretical flow of a conducting liquid confined between differentially rotating cylinders in the presence of an external magnetic field was analyzed. The central conclusion is that the additional magnetic field parallel to the axis of rotation can destabilize otherwise stable flow. Theory of non-magnetized fluid motion between rotating cylinders has much longer history, though. It has been studied already in 1888 and today such setup is usually referred as a Taylor-Couette flow. To prove experimentally the existence of MRI in a magnetized Taylor-Couette flow is a demanding task and different MHD groups around the world try to achieve it. The main problem lies in the fact that laboratory liquid metals which are used in such experiments are characterized by small magnetic Prandtl number. Consequently rotation rates of the cylinders must be extremely large and vast amount of technical problems emerge. One of the most important difficulties is an influence of plates enclosing the cylinders in any experiment. For fast rotation the plates tend to dominate the whole flow and the MRI can not be observed. In this thesis we discuss a special helical configuration of the applied magnetic field which allows the critical rotation rates to be much smaller. If only the axial magnetic field is present, the cylinders must rotate with angular velocities corresponding to Reynolds numbers of order Re ≈ 10^6. With the helical field this number is dramatically reduced to Re ≈ 10^3. The azimuthal component of the magnetic field can be easily generated by letting an electric current through the axis of rotation, In a Taylor-Couette flow the (primary) instability manifests itself as Taylor vortices. The specific geometry of the helical magnetic field leads to a traveling wave solution and the vortices are drifting in a direction determined by rotation and the magnetic field. In an idealized study for infinitely long cylinders this is not a problem. However, if the cylinders have finite length and are bounded vertically by the plates the situation is different. In this dissertation it is shown, with use of numerical methods, that the traveling wave solution also exists for MHD Taylor-Couette flow at finite aspect ratio H/D, H being height of the cylinders, D width of the gap between them. The nonlinear simulations provide amplitudes of fluid velocity which are helpful in designing an experiment. Although the plates disturb the flow, parameters like the drift velocity indicate that the helical MRI operates in this case. The idea of the helical MRI was implemented in a very recent experiment PROMISE. The results provided, for the first time, an evidence that the (helical) MRI indeed exists. Nevertheless, the influence of the vertical endplates was evident and the experiment can be, in principle, improved. Exemplary methods of reduction of the end-effect are here proposed. Near the vertical boundaries develops an Ekman-Hartmann layer. Study of this layer for the MHD Taylor-Couette system as well as its impact on the global flow properties is presented. It is shown that the plates, especially if they are conducting, can disturb the flow far more then previously thought also for relatively slow rotation rates.}, language = {en} } @phdthesis{Prokhorov2015, author = {Prokhorov, Boris E.}, title = {High-latitude coupling processes between thermospheric circulation and solar wind driven magnetospheric currents and plasma convection}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-92353}, school = {Universit{\"a}t Potsdam}, pages = {117}, year = {2015}, abstract = {The high-latitudinal thermospheric processes driven by the solar wind and Interplanetary Magnetic Field (IMF) interaction with the Earth magnetosphere are highly variable parts of the complex dynamic plasma environment, which represent the coupled Magnetosphere - Ionosphere - Thermosphere (MIT) system. The solar wind and IMF interactions transfer energy to the MIT system via reconnection processes at the magnetopause. The Field Aligned Currents (FACs) constitute the energetic links between the magnetosphere and the Earth ionosphere. The MIT system depends on the highly variable solar wind conditions, in particular on changes of the strength and orientation of the IMF. In my thesis, I perform an investigation on the physical background of the complex MIT system using the global physical - numerical, three-dimensional, time-dependent and self-consistent Upper Atmosphere Model (UAM). This model describes the thermosphere, ionosphere, plasmasphere and inner magnetosphere as well as the electrodynamics of the coupled MIT system for the altitudinal range from 80 (60) km up to the 15 Earth radii. In the present study, I developed and investigated several variants of the high-latitudinal electrodynamic coupling by including the IMF dependence of FACs into the UAM model. For testing, the various variants were applied to simulations of the coupled MIT system for different seasons, geomagnetic activities, various solar wind and IMF conditions. Additionally, these variants of the theoretical model with the IMF dependence were compared with global empirical models. The modelling results for the most important thermospheric parameters like neutral wind and mass density were compared with satellite measurements. The variants of the UAM model with IMF dependence show a good agreement with the satellite observations. In comparison with the empirical models, the improved variants of the UAM model reproduce a more realistic meso-scale structures and dynamics of the coupled MIT system than the empirical models, in particular at high latitudes. The new configurations of the UAM model with IMF dependence contribute to the improvement of space weather prediction.}, language = {en} } @phdthesis{FernandesGuimaraes2012, author = {Fernandes Guimar{\~a}es, Ana Helena}, title = {How does adhesion influence the small aggregates in Saturn's rings}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-61846}, school = {Universit{\"a}t Potsdam}, year = {2012}, abstract = {Particles in Saturn's main rings range in size from dust to even kilometer-sized objects. Their size distribution is thought to be a result of competing accretion and fragmentation processes. While growth is naturally limited in tidal environments, frequent collisions among these objects may contribute to both accretion and fragmentation. As ring particles are primarily made of water ice attractive surface forces like adhesion could significantly influence these processes, finally determining the resulting size distribution. Here, we derive analytic expressions for the specific self-energy Q and related specific break-up energy Q⋆ of aggregates. These expressions can be used for any aggregate type composed of monomeric constituents. We compare these expressions to numerical experiments where we create aggregates of various types including: regular packings like the face-centered cubic (fcc), Ballistic Particle Cluster Aggregates (BPCA), and modified BPCAs including e.g. different constituent size distributions. We show that accounting for attractive surface forces such as adhesion a simple approach is able to: a) generally account for the size dependence of the specific break-up energy for fragmentation to occur reported in the literature, namely the division into "strength" and "gravity" regimes, and b) estimate the maximum aggregate size in a collisional ensemble to be on the order of a few meters, consistent with the maximum aggregate size observed in Saturn's rings of about 10m.}, language = {en} } @phdthesis{Stechemesser2023, author = {Stechemesser, Annika}, title = {Human behaviour in a warming world}, school = {Universit{\"a}t Potsdam}, pages = {339}, year = {2023}, language = {en} } @phdthesis{Pavlenko2016, author = {Pavlenko, Elena}, title = {Hybrid nanolayer architectures for ultrafast acousto-plasmonics in soft matter}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-99544}, school = {Universit{\"a}t Potsdam}, pages = {85}, year = {2016}, abstract = {The goal of the presented work is to explore the interaction between gold nanorods (GNRs) and hyper-sound waves. For the generation of the hyper-sound I have used Azobenzene-containing polymer transducers. Multilayer polymer structures with well-defined thicknesses and smooth interfaces were built via layer-by-layer deposition. Anionic polyelectrolytes with Azobenzene side groups (PAzo) were alternated with cationic polymer PAH, for the creation of transducer films. PSS/PAH multilayer were built for spacer layers, which do not absorb in the visible light range. The properties of the PAzo/PAH film as a transducer are carefully characterized by static and transient optical spectroscopy. The optical and mechanical properties of the transducer are studied on the picosecond time scale. In particular the relative change of the refractive index of the photo-excited and expanded PAH/PAzo is Δn/n = - 2.6*10-4. Calibration of the generated strain is performed by ultrafast X-ray diffraction calibrated the strain in a Mica substrate, into which the hyper-sound is transduced. By simulating the X-ray data with a linear-chain-model the strain in the transducer under the excitation is derived to be Δd/d ~ 5*10-4. Additional to the investigation of the properties of the transducer itself, I have performed a series of experiments to study the penetration of the generated strain into various adjacent materials. By depositing the PAzo/PAH film onto a PAH/PSS structure with gold nanorods incorporated in it, I have shown that nanoscale impurities can be detected via the scattering of hyper-sound. Prior to the investigation of complex structures containing GNRs and the transducer, I have performed several sets of experiments on GNRs deposited on a small buffer of PSS/PAH. The static and transient response of GNRs is investigated for different fluence of the pump beam and for different dielectric environments (GNRs covered by PSS/PAH). A systematic analysis of sample architectures is performed in order to construct a sample with the desired effect of GNRs responding to the hyper-sound strain wave. The observed shift of a feature related to the longitudinal plasmon resonance in the transient reflection spectra is interpreted as the event of GNRs sensing the strain wave. We argue that the shift of the longitudinal plasmon resonance is caused by the viscoelastic deformation of the polymer around the nanoparticle. The deformation is induced by the out of plane difference in strain in the area directly under a particle and next to it. Simulations based on the linear chain model support this assumption. Experimentally this assumption is proven by investigating the same structure, with GNRs embedded in a PSS/PAH polymer layer. The response of GNRs to the hyper-sound wave is also observed for the sample structure with GNRs embedded in PAzo/PAH films. The response of GNRs in this case is explained to be driven by the change of the refractive index of PAzo during the strain propagation.}, language = {en} } @phdthesis{Bojahr2016, author = {Bojahr, Andre}, title = {Hypersound interaction studied by time-resolved inelastic light and x-ray scattering}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-93860}, school = {Universit{\"a}t Potsdam}, pages = {xxiii, 201}, year = {2016}, abstract = {This publications-based thesis summarizes my contribution to the scientific field of ultrafast structural dynamics. It consists of 16 publications, about the generation, detection and coupling of coherent gigahertz longitudinal acoustic phonons, also called hypersonic waves. To generate such high frequency phonons, femtosecond near infrared laser pulses were used to heat nanostructures composed of perovskite oxides on an ultrashort timescale. As a consequence the heated regions of such a nanostructure expand and a high frequency acoustic phonon pulse is generated. To detect such coherent acoustic sound pulses I use ultrafast variants of optical Brillouin and x-ray scattering. Here an incident optical or x-ray photon is scattered by the excited sound wave in the sample. The scattered light intensity measures the occupation of the phonon modes. The central part of this work is the investigation of coherent high amplitude phonon wave packets which can behave nonlinearly, quite similar to shallow water waves which show a steepening of wave fronts or solitons well known as tsunamis. Due to the high amplitude of the acoustic wave packets in the solid, the acoustic properties can change significantly in the vicinity of the sound pulse. This may lead to a shape change of the pulse. I have observed by time-resolved Brillouin scattering, that a single cycle hypersound pulse shows a wavefront steepening. I excited hypersound pulses with strain amplitudes until 1\% which I have calibrated by ultrafast x-ray diffraction (UXRD). On the basis of this first experiment we developed the idea of the nonlinear mixing of narrowband phonon wave packets which we call "nonlinear phononics" in analogy with the nonlinear optics, which summarizes a kaleidoscope of surprising optical phenomena showing up at very high electric fields. Such phenomena are for instance Second Harmonic Generation, four-wave-mixing or solitons. But in case of excited coherent phonons the wave packets have usually very broad spectra which make it nearly impossible to look at elementary scattering processes between phonons with certain momentum and energy. For that purpose I tested different techniques to excite narrowband phonon wave packets which mainly consist of phonons with a certain momentum and frequency. To this end epitaxially grown metal films on a dielectric substrate were excited with a train of laser pulses. These excitation pulses drive the metal film to oscillate with the frequency given by their inverse temporal displacement and send a hypersonic wave of this frequency into the substrate. The monochromaticity of these wave packets was proven by ultrafast optical Brillouin and x-ray scattering. Using the excitation of such narrowband phonon wave packets I was able to observe the Second Harmonic Generation (SHG) of coherent phonons as a first example of nonlinear wave mixing of nanometric phonon wave packets.}, language = {en} } @phdthesis{Wolff2020, author = {Wolff, Christian Michael}, title = {Identification and reduction of losses in perovskite solar cells}, doi = {10.25932/publishup-47930}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-479301}, school = {Universit{\"a}t Potsdam}, pages = {x, 158}, year = {2020}, abstract = {Perovskite solar cells have become one of the most studied systems in the quest for new, cheap and efficient solar cell materials. Within a decade device efficiencies have risen to >25\% in single-junction and >29\% in tandem devices on top of silicon. This rapid improvement was in many ways fortunate, as e. g. the energy levels of commonly used halide perovskites are compatible with already existing materials from other photovoltaic technologies such as dye-sensitized or organic solar cells. Despite this rapid success, fundamental working principles must be understood to allow concerted further improvements. This thesis focuses on a comprehensive understanding of recombination processes in functioning devices. First the impact the energy level alignment between the perovskite and the electron transport layer based on fullerenes is investigated. This controversial topic is comprehensively addressed and recombination is mitigated through reducing the energy difference between the perovskite conduction band minimum and the LUMO of the fullerene. Additionally, an insulating blocking layer is introduced, which is even more effective in reducing this recombination, without compromising carrier collection and thus efficiency. With the rapid efficiency development (certified efficiencies have broken through the 20\% ceiling) and thousands of researchers working on perovskite-based optoelectronic devices, reliable protocols on how to reach these efficiencies are lacking. Having established robust methods for >20\% devices, while keeping track of possible pitfalls, a detailed description of the fabrication of perovskite solar cells at the highest efficiency level (>20\%) is provided. The fabrication of low-temperature p-i-n structured devices is described, commenting on important factors such as practical experience, processing atmosphere \& temperature, material purity and solution age. Analogous to reliable fabrication methods, a method to identify recombination losses is needed to further improve efficiencies. Thus, absolute photoluminescence is identified as a direct way to quantify the Quasi-Fermi level splitting of the perovskite absorber (1.21eV) and interfacial recombination losses the transport layers impose, reducing the latter to ~1.1eV. Implementing very thin interlayers at both the p- and n-interface (PFN-P2 and LiF, respectively), these losses are suppressed, enabling a VOC of up to 1.17eV. Optimizing the device dimensions and the bandgap, 20\% devices with 1cm2 active area are demonstrated. Another important consideration is the solar cells' stability if subjected to field-relevant stressors during operation. In particular these are heat, light, bias or a combination thereof. Perovskite layers - especially those incorporating organic cations - have been shown to degrade if subjected to these stressors. Keeping in mind that several interlayers have been successfully used to mitigate recombination losses, a family of perfluorinated self-assembled monolayers (X-PFCn, where X denotes I/Br and n = 7-12) are introduced as interlayers at the n-interface. Indeed, they reduce interfacial recombination losses enabling device efficiencies up to 21.3\%. Even more importantly they improve the stability of the devices. The solar cells with IPFC10 are stable over 3000h stored in the ambient and withstand a harsh 250h of MPP at 85◦C without appreciable efficiency losses. To advance further and improve device efficiencies, a sound understanding of the photophysics of a device is imperative. Many experimental observations in recent years have however drawn an inconclusive picture, often suffering from technical of physical impediments, disguising e. g. capacitive discharge as recombination dynamics. To circumvent these obstacles, fully operational, highly efficient perovskites solar cells are investigated by a combination of multiple optical and optoelectronic probes, allowing to draw a conclusive picture of the recombination dynamics in operation. Supported by drift-diffusion simulations, the device recombination dynamics can be fully described by a combination of first-, second- and third-order recombination and JV curves as well as luminescence efficiencies over multiple illumination intensities are well described within the model. On this basis steady state carrier densities, effective recombination constants, densities-of-states and effective masses are calculated, putting the devices at the brink of the radiative regime. Moreover, a comprehensive review of recombination in state-of-the-art devices is given, highlighting the importance of interfaces in nonradiative recombination. Different strategies to assess these are discussed, before emphasizing successful strategies to reduce interfacial recombination and pointing towards the necessary steps to further improve device efficiency and stability. Overall, the main findings represent an advancement in understanding loss mechanisms in highly efficient solar cells. Different reliable optoelectronic techniques are used and interfacial losses are found to be of grave importance for both efficiency and stability. Addressing the interfaces, several interlayers are introduced, which mitigate recombination losses and degradation.}, language = {en} } @phdthesis{Kuhla2022, author = {Kuhla, Kilian}, title = {Impact, distribution, and adaptation}, doi = {10.25932/publishup-55266}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-552668}, school = {Universit{\"a}t Potsdam}, pages = {vii, 309}, year = {2022}, abstract = {Weather extremes pose a persistent threat to society on multiple layers. Besides an average of ~37,000 deaths per year, climate-related disasters cause destroyed properties and impaired economic activities, eroding people's livelihoods and prosperity. While global temperature rises - caused by anthropogenic greenhouse gas emissions - the direct impacts of climatic extreme events increase and will further intensify without proper adaptation measures. Additionally, weather extremes do not only have local direct effects. Resulting economic repercussions can propagate either upstream or downstream along trade chains causing indirect effects. One approach to analyze these indirect effects within the complex global supply network is the agent-based model Acclimate. Using and extending this loss-propagation model, I focus in this thesis on three aspects of the relation between weather extremes and economic repercussions. First, extreme weather events cause direct impacts on local economic performance. I compute daily local direct output loss time series of heat stress, river floods, tropical cyclones, and their consecutive occurrence using (near-future) climate projection ensembles. These regional impacts are estimated based on physical drivers and local productivity distribution. Direct effects of the aforementioned disaster categories are widely heterogeneous concerning regional and temporal distribution. As well, their intensity changes differently under future warming. Focusing on the hurricane-impacted capital, I find that long-term growth losses increase with higher heterogeneity of a shock ensemble. Second, repercussions are sectorally and regionally distributed via economic ripples within the trading network, causing higher-order effects. I use Acclimate to identify three phases of those economic ripples. Furthermore, I compute indirect impacts and analyze overall regional and global production and consumption changes. Regarding heat stress, global consumer losses double while direct output losses increase by a factor 1.5 between 2000 - 2039. In my research I identify the effect of economic ripple resonance and introduce it to climate impact research. This effect occurs if economic ripples of consecutive disasters overlap, which increases economic responses such as an enhancement of consumption losses. These loss enhancements can even be more amplified with increasing direct output losses, e.g. caused by climate crises. Transport disruptions can cause economic repercussions as well. For this, I extend the model Acclimate with a geographical transportation route and expand the decision horizon of economic agents. Using this, I show that policy-induced sudden trade restrictions (e.g. a no-deal Brexit) can significantly reduce the longer-term economic prosperity of affected regions. Analyses of transportation disruptions in typhoon seasons indicate that severely affected regions must reduce production as demand falls during a storm. Substituting suppliers may compensate for fluctuations at the beginning of the storm, which fails for prolonged disruptions. Third, possible coping mechanisms and adaptation strategies arise from direct and indirect economic responses to weather extremes. Analyzing annual trade changes due to typhoon-induced transport disruptions depict that overall exports rise. This trade resilience increases with higher network node diversification. Further, my research shows that a basic insurance scheme may diminish hurricane-induced long-term growth losses due to faster reconstruction in disasters aftermaths. I find that insurance coverage could be an economically reasonable coping scheme towards higher losses caused by the climate crisis. Indirect effects within the global economic network from weather extremes indicate further adaptation possibilities. For one, diversifying linkages reduce the hazard of sharp price increases. Next to this, close economic interconnections with regions that do not share the same extreme weather season can be economically beneficial in the medium run. Furthermore, economic ripple resonance effects should be considered while computing costs. Overall, an increase in local adaptation measures reduces economic ripples within the trade network and possible losses elsewhere. In conclusion, adaptation measures are necessary and potential present, but it seems rather not possible to avoid all direct or indirect losses. As I show in this thesis, dynamical modeling gives valuable insights into how direct and indirect economic impacts arise from different categories of weather extremes. Further, it highlights the importance of resolving individual extremes and reflecting amplifying effects caused by incomplete recovery or consecutive disasters.}, language = {en} } @phdthesis{Fuessel2003, author = {F{\"u}ssel, Hans-Martin}, title = {Impacts analysis for inverse integrated assessments of climate change}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001089}, school = {Universit{\"a}t Potsdam}, year = {2003}, abstract = {Diese Dissertation beschreibt die Entwicklung und Anwendung des Klimawirkungsmoduls des ICLIPS-Modells, eines integrierten Modells des Klimawandels ('Integrated Assessment'-Modell). Vorangestellt ist eine Diskussion des gesellschaftspolitischen Kontexts, in dem modellbasiertes 'Integrated Assessment' stattfindet, aus der wichtige Anforderungen an die Spezifikation des Klimawirkungsmoduls abgeleitet werden. Das 'Integrated Assessment' des Klimawandels umfasst eine weiten Bereich von Aktivit{\"a}ten zur wissenschaftsbasierten Unterst{\"u}tzung klimapolitischer Entscheidungen. Hierbei wird eine Vielzahl von Ans{\"a}tzen verfolgt, um politikrelevante Informationen {\"u}ber die erwarteten Auswirkungen des Klimawandels zu ber{\"u}cksichtigen. Wichtige Herausforderungen in diesem Bereich sind die große Bandbreite der relevanten r{\"a}umlichen und zeitlichen Skalen, die multifaktorielle Verursachung vieler 'Klimafolgen', erhebliche wissenschaftliche Unsicherheiten sowie die Mehrdeutigkeit unvermeidlicher Werturteile. Die Entwicklung eines hierarchischen Konzeptmodells erlaubt die Strukturierung der verschiedenen Ans{\"a}tze sowie die Darstellung eines mehrstufigen Entwicklungsprozesses, der sich in der Praxis und der zu Grunde liegenden Theorie von Studien zur Vulnerabilit{\"a}t hinsichtlich des Klimawandels wiederspiegelt. 'Integrated Assessment'-Modelle des Klimawandels sind wissenschaftliche Werkzeuge, welche eine vereinfachte Beschreibung des gekoppelten Mensch-Klima-Systems enthalten. Die wichtigsten entscheidungstheoretischen Ans{\"a}tze im Bereich des modellbasierten 'Integrated Assessment' werden im Hinblick auf ihre F{\"a}higkeit zur ad{\"a}quaten Darstellung klimapolitischer Entscheidungsprobleme bewertet. Dabei stellt der 'Leitplankenansatz' eine 'inverse' Herangehensweise zur Unterst{\"u}tzung klimapolitischer Entscheidungen dar, bei der versucht wird, die Gesamtheit der klimapolitischen Strategien zu bestimmen, die mit einer Reihe von zuvor normativ bestimmten Mindestkriterien (den sogenannten 'Leitplanken') vertr{\"a}glich sind. Dieser Ansatz verbindet bis zu einem gewissen Grad die wissenschaftliche Strenge und Objektivit{\"a}t simulationsbasierter Ans{\"a}tze mit der F{\"a}higkeit von Optimierungsans{\"a}tzen, die Gesamtheit aller Entscheidungsoptionen zu ber{\"u}cksichtigen. Das ICLIPS-Modell ist das erste 'Integrated Assessment'-Modell des Klimawandels, welches den Leitplankenansatz implementiert. Die Darstellung von Klimafolgen ist eine wichtige Herausforderung f{\"u}r 'Integrated Assessment'-Modelle des Klimawandels. Eine Betrachtung bestehender 'Integrated Assessment'-Modelle offenbart große Unterschiede in der Ber{\"u}cksichtigung verschiedener vom Klimawandel betroffenen Sektoren, in der Wahl des bzw. der Indikatoren zur Darstellung von Klimafolgen, in der Ber{\"u}cksichtigung nicht-klimatischer Entwicklungen einschließlich gezielter Anpassungsmaßnahmen an den Klimawandel, in der Behandlung von Unsicherheiten und in der Ber{\"u}cksichtigung von 'singul{\"a}ren' Ereignissen. 'Integrated Assessment'-Modelle, die auf einem Inversansatz beruhen, stellen besondere Anforderungen an die Darstellung von Klimafolgen. Einerseits muss der Detaillierungsgrad hinreichend sein, um Leitplanken f{\"u}r Klimafolgen sinnvoll definieren zu k{\"o}nnen; andererseits muss die Darstellung effizient genug sein, um die Gesamtheit der m{\"o}glichen klimapolitischen Strategien erkunden zu k{\"o}nnen. Großr{\"a}umige Singularit{\"a}ten k{\"o}nnen h{\"a}ufig durch vereinfachte dynamische Modelle abgebildet werden. Diese Methode ist jedoch weniger geeignet f{\"u}r regul{\"a}re Klimafolgen, bei denen die Bestimmung relevanter Ergebnisse in der Regel die Ber{\"u}cksichtigung der Heterogenit{\"a}t von klimatischen, naturr{\"a}umlichen und sozialen Faktoren auf der lokalen oder regionalen Ebene erfordert. Klimawirkungsfunktionen stellen sich als die geeignetste Darstellung regul{\"a}rer Klimafolgen im ICLIPS-Modell heraus. Eine Klimawirkungsfunktion beschreibt in aggregierter Form die Reaktion eines klimasensitiven Systems, wie sie von einem geographisch expliziten Klimawirkungsmodell f{\"u}r eine repr{\"a}sentative Teilmenge m{\"o}glicher zuk{\"u}nftiger Entwicklungen simuliert wurde. Die in dieser Arbeit vorgestellten Klimawirkungsfunktionen nutzen die globale Mitteltemperatur sowie die atmosph{\"a}rische CO2-Konzentration als Pr{\"a}diktoren f{\"u}r global und regional aggregierte Auswirkungen des Klimawandels auf nat{\"u}rliche {\"O}kosysteme, die landwirtschaftliche Produktion und die Wasserverf{\"u}gbarkeit. Die Anwendung einer 'Musterskalierungstechnik' erm{\"o}glicht hierbei die Ber{\"u}cksichtigung der regionalen und saisonalen Muster des Klima{\"a}nderungssignals aus allgemeinen Zirkulationsmodellen, ohne die Effizienz der dynamischen Modellkomponenten zu beeintr{\"a}chtigen. Bem{\"u}hungen zur quantitativen Absch{\"a}tzung zuk{\"u}nftiger Klimafolgen sehen sich bei der Wahl geeigneter Indikatoren in der Regel einem Zielkonflikt zwischen der Relevanz eines Indikators f{\"u}r Entscheidungstr{\"a}ger und der Zuverl{\"a}ssigkeit, mit der dieser bestimmt werden kann, gegen{\"u}ber. Eine Reihe von nichtmonet{\"a}ren Indikatoren zur aggregierten Darstellung von Klimafolgen in Klimawirkungsfunktionen wird pr{\"a}sentiert, welche eine Balance zwischen diesen beiden Zielen anstreben und gleichzeitig die Beschr{\"a}nkungen ber{\"u}cksichtigen, die sich aus anderen Komponenten des ICLIPS-Modells ergeben. Klimawirkungsfunktionen werden durch verschiedene Typen von Diagrammen visualisiert, welche jeweils unterschiedliche Perspektiven auf die Ergebnismenge der Klimawirkungssimulationen erlauben. Die schiere Anzahl von Klimawirkungsfunktionen verhindert ihre umfassende Darstellung in dieser Arbeit. Ausgew{\"a}hlte Ergebnisse zu Ver{\"a}nderungen in der r{\"a}umlichen Ausdehnung von Biomen, im landwirtschaftlichen Potential verschiedener L{\"a}nder und in der Wasserverf{\"u}gbarkeit in mehreren großen Einzugsgebieten werden diskutiert. Die Gesamtheit der Klimawirkungsfunktionen wird zug{\"a}nglich gemacht durch das 'ICLIPS Impacts Tool', eine graphische Benutzeroberfl{\"a}che, die einen bequemen Zugriff auf {\"u}ber 100.000 Klimawirkungsdiagramme erm{\"o}glicht. Die technischen Aspekte der Software sowie die zugeh{\"o}rige Datenbasis wird beschrieben. Die wichtigste Anwendung von Klimawirkungsfunktionen ist im 'Inversmodus', wo sie genutzt werden, um Leitplanken zur Begrenzung von Klimafolgen in gleichzeitige Randbedingungen f{\"u}r Variablen aus dem optimierenden ICLIPS-Klima-Weltwirtschafts-Modell zu {\"u}bersetzen. Diese {\"U}bersetzung wird erm{\"o}glicht durch Algorithmen zur Bestimmung von Mengen erreichbarer Klimazust{\"a}nde ('reachable climate domains') sowie zur parametrisierten Approximation zul{\"a}ssiger Klimafenster ('admissible climate windows'), die aus Klimawirkungsfunktionen abgeleitet werden. Der umfassende Bestand an Klimawirkungsfunktionen zusammen mit diesen Algorithmen erm{\"o}glicht es dem integrierten ICLIPS-Modell, in flexibler Weise diejenigen klimapolitischen Strategien zu bestimmen, welche bestimmte in biophysikalischen Einheiten ausgedr{\"u}ckte Begrenzungen von Klimafolgen explizit ber{\"u}cksichtigen. Diese M{\"o}glichkeit bietet kein anderes intertemporal optimierendes 'Integrated Assessment'-Modell. Eine Leitplankenanalyse mit dem integrierten ICLIPS-Modell unter Anwendung ausgew{\"a}hlter Klimawirkungsfunktionen f{\"u}r Ver{\"a}nderungen nat{\"u}rlicher {\"O}kosysteme wird beschrieben. In dieser Analyse werden so genannte 'notwendige Emissionskorridore' berechnet, die vorgegebene Beschr{\"a}nkungen hinsichtlich der maximal zul{\"a}ssigen globalen Vegetationsver{\"a}nderungen und der regionalen Klimaschutzkosten ber{\"u}cksichtigen. Dies geschieht sowohl f{\"u}r eine 'Standardkombination' der drei gew{\"a}hlten Kriterien als auch f{\"u}r deren systematische Variation. Eine abschließende Diskussion aktueller Entwicklungen in der 'Integrated Assessment'-Modellierung stellt diese Arbeit mit anderen einschl{\"a}gigen Bem{\"u}hungen in Beziehung.}, language = {en} } @phdthesis{Kriegler2005, author = {Kriegler, Elmar}, title = {Imprecise probability analysis for integrated assessment of climate change}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-5611}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {We present an application of imprecise probability theory to the quantification of uncertainty in the integrated assessment of climate change. Our work is motivated by the fact that uncertainty about climate change is pervasive, and therefore requires a thorough treatment in the integrated assessment process. Classical probability theory faces some severe difficulties in this respect, since it cannot capture very poor states of information in a satisfactory manner. A more general framework is provided by imprecise probability theory, which offers a similarly firm evidential and behavioural foundation, while at the same time allowing to capture more diverse states of information. An imprecise probability describes the information in terms of lower and upper bounds on probability. For the purpose of our imprecise probability analysis, we construct a diffusion ocean energy balance climate model that parameterises the global mean temperature response to secular trends in the radiative forcing in terms of climate sensitivity and effective vertical ocean heat diffusivity. We compare the model behaviour to the 20th century temperature record in order to derive a likelihood function for these two parameters and the forcing strength of anthropogenic sulphate aerosols. Results show a strong positive correlation between climate sensitivity and ocean heat diffusivity, and between climate sensitivity and absolute strength of the sulphate forcing. We identify two suitable imprecise probability classes for an efficient representation of the uncertainty about the climate model parameters and provide an algorithm to construct a belief function for the prior parameter uncertainty from a set of probability constraints that can be deduced from the literature or observational data. For the purpose of updating the prior with the likelihood function, we establish a methodological framework that allows us to perform the updating procedure efficiently for two different updating rules: Dempster's rule of conditioning and the Generalised Bayes' rule. Dempster's rule yields a posterior belief function in good qualitative agreement with previous studies that tried to constrain climate sensitivity and sulphate aerosol cooling. In contrast, we are not able to produce meaningful imprecise posterior probability bounds from the application of the Generalised Bayes' Rule. We can attribute this result mainly to our choice of representing the prior uncertainty by a belief function. We project the Dempster-updated belief function for the climate model parameters onto estimates of future global mean temperature change under several emissions scenarios for the 21st century, and several long-term stabilisation policies. Within the limitations of our analysis we find that it requires a stringent stabilisation level of around 450 ppm carbon dioxide equivalent concentration to obtain a non-negligible lower probability of limiting the warming to 2 degrees Celsius. We discuss several frameworks of decision-making under ambiguity and show that they can lead to a variety of, possibly imprecise, climate policy recommendations. We find, however, that poor states of information do not necessarily impede a useful policy advice. We conclude that imprecise probabilities constitute indeed a promising candidate for the adequate treatment of uncertainty in the integrated assessment of climate change. We have constructed prior belief functions that allow much weaker assumptions on the prior state of information than a prior probability would require and, nevertheless, can be propagated through the entire assessment process. As a caveat, the updating issue needs further investigation. Belief functions constitute only a sensible choice for the prior uncertainty representation if more restrictive updating rules than the Generalised Bayes'Rule are available.}, subject = {Anthropogene Klima{\"a}nderung}, language = {en} } @phdthesis{Cecchini2019, author = {Cecchini, Gloria}, title = {Improving network inference by overcoming statistical limitations}, doi = {10.25932/publishup-42670}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-426705}, school = {Universit{\"a}t Potsdam}, pages = {124}, year = {2019}, abstract = {A reliable inference of networks from data is of key interest in many scientific fields. Several methods have been suggested in the literature to reliably determine links in a network. These techniques rely on statistical methods, typically controlling the number of false positive links, but not considering false negative links. In this thesis new methodologies to improve network inference are suggested. Initial analyses demonstrate the impact of falsepositive and false negative conclusions about the presence or absence of links on the resulting inferred network. Consequently, revealing the importance of making well-considered choices leads to suggest new approaches to enhance existing network reconstruction methods. A simulation study, presented in Chapter 3, shows that different values to balance false positive and false negative conclusions about links should be used in order to reliably estimate network characteristics. The existence of type I and type II errors in the reconstructed network, also called biased network, is accepted. Consequently, an analytic method that describes the influence of these two errors on the network structure is explored. As a result of this analysis, an analytic formula of the density of the biased vertex degree distribution is found (Chapter 4). In the inverse problem, the vertex degree distribution of the true underlying network is analytically reconstructed, assuming the probabilities of type I and type II errors. Chapters 4-5 show that the method is robust to incorrect estimates of α and β within reasonable limits. In Chapter 6, an iterative procedure to enhance this method is presented in the case of large errors on the estimates of α and β. The investigations presented so far focus on the influence of false positive and false negative links on the network characteristics. In Chapter 7, the analysis is reversed - the study focuses on the influence of network characteristics on the probability of type I and type II errors, in the case of networks of coupled oscillators. The probabilities of α and β are influenced by the shortest path length and the detour degree, respectively. These results have been used to improve the network reconstruction, when the true underlying network is not known a priori, introducing a novel and advanced concept of threshold.}, language = {en} } @phdthesis{Damseaux2024, author = {Damseaux, Adrien}, title = {Improving permafrost dynamics in land surface models: insights from dual sensitivity experiments}, doi = {10.25932/publishup-63945}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-639450}, school = {Universit{\"a}t Potsdam}, pages = {xiii, 143}, year = {2024}, abstract = {The thawing of permafrost and the subsequent release of greenhouse gases constitute one of the most significant and uncertain positive feedback loops in the context of climate change, making predictions regarding changes in permafrost coverage of paramount importance. To address these critical questions, climate scientists have developed Land Surface Models (LSMs) that encompass a multitude of physical soil processes. This thesis is committed to advancing our understanding and refining precise representations of permafrost dynamics within LSMs, with a specific focus on the accurate modeling of heat fluxes, an essential component for simulating permafrost physics. The first research question overviews fundamental model prerequisites for the representation of permafrost soils within land surface modeling. It includes a first-of-its-kind comparison between LSMs in CMIP6 to reveal their differences and shortcomings in key permafrost physics parameters. Overall, each of these LSMs represents a unique approach to simulating soil processes and their interactions with the climate system. Choosing the most appropriate model for a particular application depends on factors such as the spatial and temporal scale of the simulation, the specific research question, and available computational resources. The second research question evaluates the performance of the state-of-the-art Community Land Model (CLM5) in simulating Arctic permafrost regions. Our approach overcomes traditional evaluation limitations by individually addressing depth, seasonality, and regional variations, providing a comprehensive assessment of permafrost and soil temperature dynamics. I compare CLM5's results with three extensive datasets: (1) soil temperatures from 295 borehole stations, (2) active layer thickness (ALT) data from the Circumpolar Active Layer Monitoring Network (CALM), and (3) soil temperatures, ALT, and permafrost extent from the ESA Climate Change Initiative (ESA-CCI). The results show that CLM5 aligns well with ESA-CCI and CALM for permafrost extent and ALT but reveals a significant global cold temperature bias, notably over Siberia. These results echo a persistent challenge identified in numerous studies: the existence of a systematic 'cold bias' in soil temperature over permafrost regions. To address this challenge, the following research questions propose dual sensitivity experiments. The third research question represents the first study to apply a Plant Functional Type (PFT)-based approach to derive soil texture and soil organic matter (SOM), departing from the conventional use of coarse-resolution global data in LSMs. This novel method results in a more uniform distribution of soil organic matter density (OMD) across the domain, characterized by reduced OMD values in most regions. However, changes in soil texture exhibit a more intricate spatial pattern. Comparing the results to observations reveals a significant reduction in the cold bias observed in the control run. This method shows noticeable improvements in permafrost extent, but at the cost of an overestimation in ALT. These findings emphasize the model's high sensitivity to variations in soil texture and SOM content, highlighting the crucial role of soil composition in governing heat transfer processes and shaping the seasonal variation of soil temperatures in permafrost regions. Expanding upon a site experiment conducted in Trail Valley Creek by \citet{dutch_impact_2022}, the fourth research question extends the application of the snow scheme proposed by \citet{sturm_thermal_1997} to cover the entire Arctic domain. By employing a snow scheme better suited to the snow density profile observed over permafrost regions, this thesis seeks to assess its influence on simulated soil temperatures. Comparing this method to observational datasets reveals a significant reduction in the cold bias that was present in the control run. In most regions, the Sturm run exhibits a substantial decrease in the cold bias. However, there is a distinctive overshoot with a warm bias observed in mountainous areas. The Sturm experiment effectively addressed the overestimation of permafrost extent in the control run, albeit resulting in a substantial reduction in permafrost extent over mountainous areas. ALT results remain relatively consistent compared to the control run. These outcomes align with our initial hypothesis, which anticipated that the reduced snow insulation in the Sturm run would lead to higher winter soil temperatures and a more accurate representation of permafrost physics. In summary, this thesis demonstrates significant advancements in understanding permafrost dynamics and its integration into LSMs. It has meticulously unraveled the intricacies involved in the interplay between heat transfer, soil properties, and snow dynamics in permafrost regions. These insights offer novel perspectives on model representation and performance.}, language = {en} } @phdthesis{Lysyakova2017, author = {Lysyakova, Liudmila}, title = {Interaction of azobenzene containing surfactants with plasmonic nanoparticles}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-403359}, school = {Universit{\"a}t Potsdam}, pages = {viii, 155}, year = {2017}, abstract = {The goal of this thesis is related to the question how to introduce and combine simultaneously plasmonic and photoswitching properties to different nano-objects. In this thesis I investigate the complexes between noble metal nanoparticles and cationic surfactants containing azobenzene units in their hydrophobic tail, employing absorption spectroscopy, surface zeta-potential, and electron microscopy. In the first part of the thesis, the formation of complexes between negatively charged laser ablated spherical gold nanoparticles and cationic azobenzene surfactants in trans- conformation is explored. It is shown that the constitution of the complexes strongly depends on a surfactant-to-gold molar ratio. At certain molar ratios, particle self-assembly into nanochains and their aggregation have been registered. At higher surfactant concentrations, the surface charge of nanoparticles turned positive, attributed to the formation of the stabilizing double layer of azobenzene surfactants on gold nanoparticle surfaces. These gold-surfactant complexes remained colloidally stable. UV light induced trans-cis isomerization of azobenzene surfactant molecules and thus perturbed the stabilizing surfactant shell, causing nanoparticle aggregation. The results obtained with silver and silicon nanoparticles mimick those for the comprehensively studied gold nanoparticles, corroborating the proposed model of complex formation. In the second part, the interaction between plasmonic metal nanoparticles (Au, Ag, Pd, alloy Au-Ag, Au-Pd), as well as silicon nanoparticles, and cis-isomers of azobenzene containing compounds is addressed. Cis-trans thermal isomerization of azobenzenes was enhanced in the presence of gold, palladium, and alloy gold-palladium nanoparticles. The influence of the surfactant structure and nanoparticle material on the azobenzene isomerization rate is expounded. Gold nanoparticles showed superior catalytic activity for thermal cis-trans isomerization of azobenzenes. In a joint project with theoretical chemists, we demonstrated that the possible physical origin of this phenomenon is the electron transfer between azobenzene moieties and nanoparticle surfaces. In the third part, complexes between gold nanorods and azobenzene surfactants with different tail length were exposed to UV and blue light, inducing trans-cis and cis-trans isomerization of surfactant, respectively. At the same time, the position of longitudinal plasmonic absorption maximum of gold nanorods experienced reversible shift responding to the changes in local dielectric environment. Surface plasmon resonance condition allowed the estimation of the refractive index of azobenzene containing surfactants in solution.}, language = {en} } @phdthesis{Schuermann2017, author = {Sch{\"u}rmann, Robin Mathis}, title = {Interaction of the potential DNA-radiosensitizer 8-bromoadenine with free and plasmonically generated electrons}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-407017}, school = {Universit{\"a}t Potsdam}, pages = {xi, 120}, year = {2017}, abstract = {In Germany more than 200.000 persons die of cancer every year, which makes it the second most common cause of death. Chemotherapy and radiation therapy are often combined to exploit a supra-additive effect, as some chemotherapeutic agents like halogenated nucleobases sensitize the cancerous tissue to radiation. The radiosensitizing action of certain therapeutic agents can be at least partly assigned to their interaction with secondary low energy electrons (LEEs) that are generated along the track of the ionizing radiation. In the therapy of cancer DNA is an important target, as severe DNA damage like double strand breaks induce the cell death. As there is only a limited number of radiosensitizing agents in clinical practice, which are often strongly cytotoxic, it would be beneficial to get a deeper understanding of the interaction of less toxic potential radiosensitizers with secondary reactive species like LEEs. Beyond that LEEs can be generated by laser illuminated nanoparticles that are applied in photothermal therapy (PTT) of cancer, which is an attempt to treat cancer by an increase of temperature in the cells. However, the application of halogenated nucleobases in PTT has not been taken into account so far. In this thesis the interaction of the potential radiosensitizer 8-bromoadenine (8BrA) with LEEs was studied. In a first step the dissociative electron attachment (DEA) in the gas phase was studied in a crossed electron-molecular beam setup. The main fragmentation pathway was revealed as the cleavage of the C-Br bond. The formation of a stable parent anion was observed for electron energies around 0 eV. Furthermore, DNA origami nanostructures were used as platformed to determine electron induced strand break cross sections of 8BrA sensitized oligonucleotides and the corresponding nonsensitized sequence as a function of the electron energy. In this way the influence of the DEA resonances observed for the free molecules on the DNA strand breaks was examined. As the surrounding medium influences the DEA, pulsed laser illuminated gold nanoparticles (AuNPs) were used as a nanoscale electron source in an aqueous environment. The dissociation of brominated and native nucleobases was tracked with UV-Vis absorption spectroscopy and the generated fragments were identified with surface enhanced Raman scattering (SERS). Beside the electron induced damage, nucleobase analogues are decomposed in the vicinity of the laser illuminatednanoparticles due to the high temperatures. In order to get a deeper understanding of the different dissociation mechanisms, the thermal decomposition of the nucleobases in these systems was studied and the influence of the adsorption kinetics of the molecules was elucidated. In addition to the pulsed laser experiments, a dissociative electron transfer from plasmonically generated "hot electrons" to 8BrA was observed under low energy continuous wave laser illumination and tracked with SERS. The reaction was studied on AgNPs and AuNPs as a function of the laser intensity and wavelength. On dried samples the dissociation of the molecule was described by fractal like kinetics. In solution, the dissociative electron transfer was observed as well. It turned out that the timescale of the reaction rates were slightly below typical integration times of Raman spectra. In consequence such reactions need to be taken into account in the interpretation of SERS spectra of electrophilic molecules. The findings in this thesis help to understand the interaction of brominated nucleobases with plasmonically generated electrons and free electrons. This might help to evaluate the potential radiosensitizing action of such molecules in cancer radiation therapy and PTT.}, language = {en} } @phdthesis{Latza2020, author = {Latza, Victoria Maria}, title = {Interactions involving lipid-based surfaces}, doi = {10.25932/publishup-44559}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-445593}, school = {Universit{\"a}t Potsdam}, pages = {217}, year = {2020}, abstract = {Interactions involving biological interfaces such as lipid-based membranes are of paramount importance for all life processes. The same also applies to artificial interfaces to which biological matter is exposed, for example the surfaces of drug delivery systems or implants. This thesis deals with the two main types of interface interactions, namely (i) interactions between a single interface and the molecular components of the surrounding aqueous medium and (ii) interactions between two interfaces. Each type is investigated with regard to an important scientific problem in the fields of biotechnology and biology: 1.) The adsorption of proteins to surfaces functionalized with hydrophilic polymer brushes; a process of great biomedical relevance in context with harmful foreign-body-response to implants and drug delivery systems. 2.) The influence of glycolipids on the interaction between lipid membranes; a hitherto largely unexplored phenomenon with potentially great biological relevance. Both problems are addressed with the help of (quasi-)planar, lipid-based model surfaces in combination with x-ray and neutron scattering techniques which yield detailed structural insights into the interaction processes. Regarding the adsorption of proteins to brush-functionalized surfaces, the first scenario considered is the exposure of the surfaces to human blood serum containing a multitude of protein species. Significant blood protein adsorption was observed despite the functionalization, which is commonly believed to act as a protein repellent. The adsorption consists of two distinct modes, namely strong adsorption to the brush grafting surface and weak adsorption to the brush itself. The second aspect investigated was the fate of the brush-functionalized surfaces when exposed to aqueous media containing immune proteins (antibodies) against the brush polymer, an emerging problem in current biomedical applications. To this end, it was found that antibody binding cannot be prevented by variation of the brush grafting density or the polymer length. This result motivates the search for alternative, strictly non-antigenic brush chemistries. With respect to the influence of glycolipids on the interaction between lipid membranes, this thesis focused on the glycolipids' ability to crosslink and thereby to tightly attract adjacent membranes. This adherence is due to preferential saccharide-saccharide interactions occurring among the glycolipid headgroups. This phenomenon had previously been described for lipids with special oligo-saccharide motifs. Here, it was investigated how common this phenomenon is among glycolipids with a variety of more abundant saccharide-headgroups. It was found that glycolipid-induced membrane crosslinking is equally observed for some of these abundant glycolipid types, strongly suggesting that this under-explored phenomenon is potentially of great biological relevance.}, language = {en} } @phdthesis{Muench2018, author = {M{\"u}nch, Thomas}, title = {Interpretation of temperature signals from ice cores}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-414963}, school = {Universit{\"a}t Potsdam}, pages = {xxi, 197}, year = {2018}, abstract = {Earth's climate varies continuously across space and time, but humankind has witnessed only a small snapshot of its entire history, and instrumentally documented it for a mere 200 years. Our knowledge of past climate changes is therefore almost exclusively based on indirect proxy data, i.e. on indicators which are sensitive to changes in climatic variables and stored in environmental archives. Extracting the data from these archives allows retrieval of the information from earlier times. Obtaining accurate proxy information is a key means to test model predictions of the past climate, and only after such validation can the models be used to reliably forecast future changes in our warming world. The polar ice sheets of Greenland and Antarctica are one major climate archive, which record information about local air temperatures by means of the isotopic composition of the water molecules embedded in the ice. However, this temperature proxy is, as any indirect climate data, not a perfect recorder of past climatic variations. Apart from local air temperatures, a multitude of other processes affect the mean and variability of the isotopic data, which hinders their direct interpretation in terms of climate variations. This applies especially to regions with little annual accumulation of snow, such as the Antarctic Plateau. While these areas in principle allow for the extraction of isotope records reaching far back in time, a strong corruption of the temperature signal originally encoded in the isotopic data of the snow is expected. This dissertation uses observational isotope data from Antarctica, focussing especially on the East Antarctic low-accumulation area around the Kohnen Station ice-core drilling site, together with statistical and physical methods, to improve our understanding of the spatial and temporal isotope variability across different scales, and thus to enhance the applicability of the proxy for estimating past temperature variability. The presented results lead to a quantitative explanation of the local-scale (1-500 m) spatial variability in the form of a statistical noise model, and reveal the main source of the temporal variability to be the mixture of a climatic seasonal cycle in temperature and the effect of diffusional smoothing acting on temporally uncorrelated noise. These findings put significant limits on the representativity of single isotope records in terms of local air temperature, and impact the interpretation of apparent cyclicalities in the records. Furthermore, to extend the analyses to larger scales, the timescale-dependency of observed Holocene isotope variability is studied. This offers a deeper understanding of the nature of the variations, and is crucial for unravelling the embedded true temperature variability over a wide range of timescales.}, language = {en} } @phdthesis{Dziourkevitch2005, author = {Dziourkevitch, Natalia}, title = {Interstellar turbulence driven by magneto-rotational instability}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-5306}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {Origin and symmetry of the observed global magnetic fields in galaxies are not fully understood. We intend to clarify the question of the magnetic field origin and investigate the global action of the magneto-rotational instability (MRI) in galactic disks with the help of 3D global magneto-hydrodynamical (MHD) simulations. The calculations were done with the time-stepping ZEUS 3D code using massive parallelization. The alpha-Omega dynamo is known to be one of the most efficient mechanisms to reproduce the observed global galactic fields. The presence of strong turbulence is a pre-requisite for the alpha-Omega dynamo generation of the regular magnetic fields. The observed magnitude and spatial distribution of turbulence in galaxies present unsolved problems to theoreticians. The MRI is known to be a fast and powerful mechanism to generate MHD turbulence and to amplify magnetic fields. We find that the critical wavelength increases with the increasing of magnetic fields during the simulation, transporting the energy from critical to larger scales. The final structure, if not disrupted by supernovae explosions, is the structure of `thin layers' of thickness of about 100 pcs. An important outcome of all simulations is the magnitude of the horizontal components of the Reynolds and Maxwell stresses. The result is that the MRI-driven turbulence is magnetic-dominated: its magnetic energy exceeds the kinetic energy by a factor of 4. The Reynolds stress is small and less than 1\% of the Maxwell stress. The angular momentum transport is thus completely dominated by the magnetic field fluctuations. The volume-averaged pitch angle is always negative with a magnitude of about -30. The non-saturated MRI regime is lasting sufficiently long to fill the time between the galactic encounters, independently of strength and geometry of the initial field. Therefore, we may claim the observed pitch angles can be due to MRI action in the gaseous galactic disks. The MRI is also shown to be a very fast instability with e-folding time proportional to the time of one rotation. Steep rotation curves imply a stronger growth for the magnetic energy due to MRI. The global e-folding time is from 44 Myr to 100 Myr depending on the rotation profile. Therefore, MRI can explain the existence of rather large magnetic field in very young galaxies. We also have reproduced the observed rms values of velocities in the interstellar turbulence as it was observed in NGC 1058. We have shown with the simulations that the averaged velocity dispersion of about 5 km/s is a typical number for the MRI-driven turbulence in galaxies, which agrees with observations. The dispersion increases outside of the disk plane, whereas supernovae-driven turbulence is found to be concentrated within the disk. In our simulations the velocity dispersion increases a few times with the heights. An additional support to the dynamo alpha-effect in the galaxies is the ability of the MRI to produce a mix of quadrupole and dipole symmetries from the purely vertical seed fields, so it also solves the seed-fields problem of the galactic dynamo theory. The interaction of magneto-rotational instability and random supernovae explosions remains an open question. It would be desirable to run the simulation with the supernovae explosions included. They would disrupt the calm ring structure produced by global MRI, may be even to the level when we can no longer blame MRI to be responsible for the turbulence.}, subject = {Magnetohydrodynamik}, language = {en} } @phdthesis{Prevot2006, author = {Prevot, Michelle Elizabeth}, title = {Introduction of a thermo-sensitive non-polar species into polyelectrolyte multilayer capsules for drug delivery}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-7785}, school = {Universit{\"a}t Potsdam}, year = {2006}, abstract = {The layer-by-layer assembly (LBL) of polyelectrolytes has been extensively studied for the preparation of ultrathin films due to the versatility of the build-up process. The control of the permeability of these layers is particularly important as there are potential drug delivery applications. Multilayered polyelectrolyte microcapsules are also of great interest due to their possible use as microcontainers. This work will present two methods that can be used as employable drug delivery systems, both of which can encapsulate an active molecule and tune the release properties of the active species. Poly-(N-isopropyl acrylamide), (PNIPAM) is known to be a thermo-sensitive polymer that has a Lower Critical Solution Temperature (LCST) around 32oC; above this temperature PNIPAM is insoluble in water and collapses. It is also known that with the addition of salt, the LCST decreases. This work shows Differential Scanning Calorimetry (DSC) and Confocal Laser Scanning Microscopy (CLSM) evidence that the LCST of the PNIPAM can be tuned with salt type and concentration. Microcapsules were used to encapsulate this thermo-sensitive polymer, resulting in a reversible and tunable stimuli- responsive system. The encapsulation of the PNIPAM inside of the capsule was proven with Raman spectroscopy, DSC (bulk LCST measurements), AFM (thickness change), SEM (morphology change) and CLSM (in situ LCST measurement inside of the capsules). The exploitation of the capsules as a microcontainer is advantageous not only because of the protection the capsules give to the active molecules, but also because it facilitates easier transport. The second system investigated demonstrates the ability to reduce the permeability of polyelectrolyte multilayer films by the addition of charged wax particles. The incorporation of this hydrophobic coating leads to a reduced water sensitivity particularly after heating, which melts the wax, forming a barrier layer. This conclusion was proven with Neutron Reflectivity by showing the decreased presence of D2O in planar polyelectrolyte films after annealing creating a barrier layer. The permeability of capsules could also be decreased by the addition of a wax layer. This was proved by the increase in recovery time measured by Florescence Recovery After Photobleaching, (FRAP) measurements. In general two advanced methods, potentially suitable for drug delivery systems, have been proposed. In both cases, if biocompatible elements are used to fabricate the capsule wall, these systems provide a stable method of encapsulating active molecules. Stable encapsulation coupled with the ability to tune the wall thickness gives the ability to control the release profile of the molecule of interest.}, subject = {Mikrokapsel}, language = {en} } @phdthesis{Rezanezhad2016, author = {Rezanezhad, Vahid}, title = {Inversion of the 2004 M6.0 Parkfield Earthquake Coseismic Offsets by Partition Model}, school = {Universit{\"a}t Potsdam}, pages = {83}, year = {2016}, language = {en} } @phdthesis{TchoumbaKwamen2018, author = {Tchoumba Kwamen, Christelle Larodia}, title = {Investigating the dynamics of polarization reversal in ferroelectric thin films by time-resolved X-ray diffraction}, doi = {10.25932/publishup-42781}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-427815}, school = {Universit{\"a}t Potsdam}, pages = {xvii, 126, xxiii}, year = {2018}, abstract = {Ferroic materials have attracted a lot of attention over the years due to their wide range of applications in sensors, actuators, and memory devices. Their technological applications originate from their unique properties such as ferroelectricity and piezoelectricity. In order to optimize these materials, it is necessary to understand the coupling between their nanoscale structure and transient response, which are related to the atomic structure of the unit cell. In this thesis, synchrotron X-ray diffraction is used to investigate the structure of ferroelectric thin film capacitors during application of a periodic electric field. Combining electrical measurements with time-resolved X-ray diffraction on a working device allows for visualization of the interplay between charge flow and structural motion. This constitutes the core of this work. The first part of this thesis discusses the electrical and structural dynamics of a ferroelectric Pt/Pb(Zr0.2,Ti0.8)O3/SrRuO3 heterostructure during charging, discharging, and polarization reversal. After polarization reversal a non-linear piezoelectric response develops on a much longer time scale than the RC time constant of the device. The reversal process is inhomogeneous and induces a transient disordered domain state. The structural dynamics under sub-coercive field conditions show that this disordered domain state can be remanent and can be erased with an appropriate voltage pulse sequence. The frequency-dependent dynamic characterization of a Pb(Zr0.52,Ti0.48)O3 layer, at the morphotropic phase boundary, shows that at high frequency, the limited domain wall velocity causes a phase lag between the applied field and both the structural and electrical responses. An external modification of the RC time constant of the measurement delays the switching current and widens the electromechanical hysteresis loop while achieving a higher compressive piezoelectric strain within the crystal. In the second part of this thesis, time-resolved reciprocal space maps of multiferroic BiFeO3 thin films were measured to identify the domain structure and investigate the development of an inhomogeneous piezoelectric response during the polarization reversal. The presence of 109° domains is evidenced by the splitting of the Bragg peak. The last part of this work investigates the effect of an optically excited ultrafast strain or heat pulse propagating through a ferroelectric BaTiO3 layer, where we observed an additional current response due to the laser pulse excitation of the metallic bottom electrode of the heterostructure.}, language = {en} } @phdthesis{Petsiuk2021, author = {Petsiuk, Andrei}, title = {Investigation of charge carrier transport in metal halide perovskites by THz Spectroscopy}, doi = {10.25932/publishup-51544}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-515441}, school = {Universit{\"a}t Potsdam}, pages = {118}, year = {2021}, abstract = {Halide perovskites are a class of novel photovoltaic materials that have recently attracted much attention in the photovoltaics research community due to their highly promising optoelectronic properties, including large absorption coefficients and long carrier lifetimes. The charge carrier mobility of halide perovskites is investigated in this thesis by THz spectroscopy, which is a contact-free technique that yields the intra-grain sum mobility of electrons and holes in a thin film. The polycrystalline halide perovskite thin films, provided from Potsdam University, show moderate mobilities in the range from 21.5 to 33.5 cm2V-1s-1. It is shown in this work that the room temperature mobility is limited by charge carrier scattering at polar optical phonons. The mobility at low temperature is likely to be limited by scattering at charged and neutral impurities at impurity concentration N=1017-1018 cm-3. Furthermore, it is shown that exciton formation may decrease the mobility at low temperatures. Scattering at acoustic phonons can be neglected at both low and room temperatures. The analysis of mobility spectra over a broad range of temperatures for perovskites with various cation compounds shows that cations have a minor impact on charge carrier mobility. The low-dimensional thin films of quasi-2D perovskite with different numbers of [PbI6]4-sheets (n=2-4) alternating with long organic spacer molecules were provided by S. Zhang from Potsdam University. They exhibit mobilities in the range from 3.7 to 8 cm2V-1s-1. A clear decrease of mobility is observed with decrease in number of metal-halide sheets n, which likely arises from charge carrier confinement within metal-halide layers. Modelling the measured THz mobility with the modified Drude-Smith model yields localization length from 0.9 to 3.7 nm, which agrees well on the thicknesses of the metal-halide layers. Additionally, the mobilities are found to be dependent on the orientation of the layers. The charge carrier dynamics is also dependent on the number of metal-halide sheets n. For the thin films with n =3-4 the dynamics is similar to the 3D MHPs. However, the thin film with n = 2 shows clearly different dynamics, where the signs of exciton formation are observed within 390 fs timeframe after photoexcitation. Also, the charge carrier dynamics of CsPbI3 perovskite nanocrystals was investigated, in particular the effect of post treatments on the charge carrier transport.}, language = {en} } @phdthesis{Sajedi2023, author = {Sajedi, Maryam}, title = {Investigation of metal-halide-perovskites by state-of-the-art synchrotron-radiation methods}, school = {Universit{\"a}t Potsdam}, pages = {xviii, 149}, year = {2023}, abstract = {My thesis chiefly aims to shed light on the favourable properties of LHP semiconductors from the point of view of their electronic structure. Currently, various hypotheses are circulating to explain the exceptionally favourable transport properties of LHPs. Seeking an explanation for the low non-radiative recombination rates and long carrier lifetimes is particularly interesting to the halide perovskites research community. The first part of this work investigates the two main hypotheses that are believed to play a significant role: the existence of a giant Rashba effect and large polarons. The experimental method of ARPES is mainly applied to verify their credibility. The first hypothesis presumes that a giant Rashba effect restricts the recombination losses of the charge carriers by making the band gap slightly indirect. The Rashba effect is based on a strong SOC that could appear in LHPs thanks to incorporating the heavy element Pb in their structure. Earlier experimental work had pointed out this effect at the VBM of a hybrid LHP as a viable explanation for the long lifetimes of the charge carriers. My systematic ARPES studies on hybrid MAPbBr3 and spin-resolved ARPES studies on the inorganic CsPbBr3 disprove the presence of any Rashba effect in the VBM of the reported order of magnitude. Therefore, neither the spin texture nor an indirect band gap character at the VBM in the bulk or at the surface can explain the high efficiency of LHP. In case of existence, this effect is in terms of the Rashba parameter at least a factor of a hundred smaller than previously assumed. The second hypothesis proposes large polaron formation in the electronic structure of LHPs and attributes it to their high defect tolerance and low non-radiative recombination rate. Because the perovskite structure consists of negative and positive ions, polarons of this kind can be expected due to the Coulomb interaction between carriers and the polar lattice at intermediate electron-phonon coupling strength. Their existence is proposed to screen the carriers and defects to avoid recombination and trapping, thus leading to long carrier lifetimes. ARPES results by one group supported this assumption, reporting a 50\% effective mass enhancement over the theoretical effective mass for CsPbBr3 in the orthorhombic structure. The current thesis examines this hypothesis experimentally by photon-energy-dependent ARPES spectra and theoretically by GW band calculations of CsPbBr3 perovskites. The investigation is based on the fact that a polaron contribution in charge transport can become evident by an increase of the effective mass as measured by ARPES over the calculated one without polaron effects. However, my experiments on crystalline CsPbBr3 did not imply a larger effective mass for which one could postulate large polarons. In fact, the effective masses determined from ARPES agree with that of theoretical predictions. The second part of my thesis thoroughly investigates the possibility of spontaneously magnetizing LHPs by introducing Mn2+ ions. Mn doping was reported to cause ferromagnetism in one of the most common LHPs, MAPbI3, mediated by super-exchange. The current work investigates the magnetic properties of a wide concentration range of Mn-doped MAPbI3 and triple-cation films by XAS, XMCD, and SQUID measurements. Based on the XAS line shape and a sum-rule analysis of the XMCD spectra, a pure Mn2+ configuration has been confirmed. Negative Curie temperatures are extracted from fitting the magnetization with a Curie-Weiss law. However, a remanent magnetization, which would be an indication of the absence of ferromagnetism down to 2K. As far as the double exchange is concerned, the element-specific XAS excludes a sufficient amount of Mn3+ as a prerequisite for this mechanism. All the findings show no evidence of significant double exchange or ferromagnetism in Mn-doped LHPs. The magnetic behavior is paramagnetic rather than ferromagnetic. In the dissertation's last chapter, orthorhombic features of CsPbBr3 are revealed by ARPES, including an extra VBM at the Γ-point. The VBM of CsPbBr3 shows a temperature-dependent splitting, which decreases by 190 meV between 38K and 300K and tracks a shift of a saddle point at the cubic M-point. It is possible to reproduce the energy shift using an atomic model with a larger unit cell for room temperature, allowing local inversion symmetry breaking. This indicates the importance of electric dipoles for the inorganic LHPs, which may contribute to their high efficiency by breaking inversion symmetry and a Berry-phase effect.}, language = {en} } @phdthesis{Velk2022, author = {Velk, Natalia}, title = {Investigation of the interaction of lysozyme with poly(l-lysine)/hyaluronic acid multilayers}, school = {Universit{\"a}t Potsdam}, pages = {85}, year = {2022}, language = {en} } @phdthesis{Stachlewska2005, author = {Stachlewska, Iwona Sylwia}, title = {Investigation of tropospheric arctic aerosol and mixed-phase clouds using airborne lidar technique}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-6984}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {An Airborne Mobile Aerosol Lidar (AMALi) was constructed and built at Alfred-Wegener-Institute for Polar and Marine Research (AWI) in Potsdam, Germany for the lower tropospheric aerosol and cloud research under tough arctic conditions. The system was successfully used during two AWI airborne field campaigns, ASTAR 2004 and SVALEX 2005, performed in vicinity of Spitsbergen in the Arctic. The novel evaluation schemes, the Two-Stream Inversion and the Iterative Airborne Inversion, were applied to the obtained lidar data. Thereby, calculation of the particle extinction and backscatter coefficient profiles with corresponding lidar ratio profiles characteristic for the arctic air was possible. The comparison of these lidar results with the results of other in-situ and remote instrumentation (ground based Koldewey Aerosol Raman Lidar (KARL), sunphotometer, radiosounding, satellite imagery) allowed to provided clean contra polluted (Arctic Haze) characteristics of the arctic aerosols. Moreover, the data interpretation by means of the ECMWF Operational Analyses and small-scale dispersion model EULAG allowed studying the effects of the Spitsbergens orography on the aerosol load in the Planetary Boundary Layer. With respect to the cloud studies a new methodology of alternated remote AMALi measurements with the airborne in-situ cloud optical and microphysical parameters measurements was proved feasible for the low density mixed-phase cloud studies. An example of such approach during observation of the natural cloud seeding (feeder-seeder phenomenon) with ice crystals precipitating into the lower supercooled stratocumulus deck were discussed in terms of the lidar signal intensity profiles and corresponding depolarisation ratio profiles. For parts of the cloud system characterised by almost negligible multiple scattering the calculation of the particle backscatter coefficient profiles was possible using the lidar ratio information obtained from the in-situ measurements in ice-crystal cloud and water cloud.}, subject = {Aerosol}, language = {en} } @phdthesis{Magkos2023, author = {Magkos, Sotirios}, title = {Iterative reconstruction from under-sampled Computed Tomography data}, doi = {10.25932/publishup-57278}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-572789}, school = {Universit{\"a}t Potsdam}, pages = {xxii, 74}, year = {2023}, abstract = {In X-ray computed tomography (XCT), an X-ray beam of intensity I0 is transmitted through an object and its attenuated intensity I is measured when it exits the object. The attenuation of the beam depends on the attenuation coefficients along its path. The attenuation coefficients provide information about the structure and composition of the object and can be determined through mathematical operations that are referred to as reconstruction. The standard reconstruction algorithms are based on the filtered backprojection (FBP) of the measured data. While these algorithms are fast and relatively simple, they do not always succeed in computing a precise reconstruction, especially from under-sampled data. Alternatively, an image or volume can be reconstructed by solving a system of linear equations. Typically, the system of equations is too large to be solved but its solution can be approximated by iterative methods, such as the Simultaneous Iterative Reconstruction Technique (SIRT) and the Conjugate Gradient Least Squares (CGLS). This dissertation focuses on the development of a novel iterative algorithm, the Direct Iterative Reconstruction of Computed Tomography Trajectories (DIRECTT). After its reconstruction principle is explained, its performance is assessed for real parallel- and cone-beam CT (including under-sampled) data and compared to that of other established algorithms. Finally, it is demonstrated how the shape of the measured object can be modelled into DIRECTT to achieve even better reconstruction results.}, language = {en} } @phdthesis{Littmann2024, author = {Littmann, Daniela-Christin}, title = {Large eddy simulations of the Arctic boundary layer around the MOSAiC drift track}, doi = {10.25932/publishup-62437}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-624374}, school = {Universit{\"a}t Potsdam}, pages = {xii, 110}, year = {2024}, abstract = {The icosahedral non-hydrostatic large eddy model (ICON-LEM) was applied around the drift track of the Multidisciplinary Observatory Study of the Arctic (MOSAiC) in 2019 and 2020. The model was set up with horizontal grid-scales between 100m and 800m on areas with radii of 17.5km and 140 km. At its lateral boundaries, the model was driven by analysis data from the German Weather Service (DWD), downscaled by ICON in limited area mode (ICON-LAM) with horizontal grid-scale of 3 km. The aim of this thesis was the investigation of the atmospheric boundary layer near the surface in the central Arctic during polar winter with a high-resolution mesoscale model. The default settings in ICON-LEM prevent the model from representing the exchange processes in the Arctic boundary layer in accordance to the MOSAiC observations. The implemented sea-ice scheme in ICON does not include a snow layer on sea-ice, which causes a too slow response of the sea-ice surface temperature to atmospheric changes. To allow the sea-ice surface to respond faster to changes in the atmosphere, the implemented sea-ice parameterization in ICON was extended with an adapted heat capacity term. The adapted sea-ice parameterization resulted in better agreement with the MOSAiC observations. However, the sea-ice surface temperature in the model is generally lower than observed due to biases in the downwelling long-wave radiation and the lack of complex surface structures, like leads. The large eddy resolving turbulence closure yielded a better representation of the lower boundary layer under strongly stable stratification than the non-eddy-resolving turbulence closure. Furthermore, the integration of leads into the sea-ice surface reduced the overestimation of the sensible heat flux for different weather conditions. The results of this work help to better understand boundary layer processes in the central Arctic during the polar night. High-resolving mesoscale simulations are able to represent temporally and spatially small interactions and help to further develop parameterizations also for the application in regional and global models.}, language = {en} } @phdthesis{Feldmann2018, author = {Feldmann, David}, title = {Light-driven diffusioosmosis}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-417184}, school = {Universit{\"a}t Potsdam}, pages = {viii, 150}, year = {2018}, abstract = {The emergence of microfluidics created the need for precise and remote control of micron-sized objects. I demonstrate how light-sensitive motion can be induced at the micrometer scale by a simple addition of a photosensitive surfactant, which makes it possible to trigger hydrophobicity with light. With point-like laser irradiation, radial inward and outward hydrodynamic surface flows are remotely switched on and off. In this way, ensembles of microparticles can be moved toward or away from the irradiation center. Particle motion is analyzed according to varying parameters, such as surfactant and salt concentration, illumination condition, surface hydrophobicity, and surface structure. The physical origin of this process is the so-called light-driven diffusioosmosis (LDDO), a phenomenon that was discovered in the framework of this thesis and is described experimentally and theoretically in this work. To give a brief explanation, a focused light irradiation induces a local photoisomerization that creates a concentration gradient at the solid-liquid interface. To compensate for the change in osmotic pressure near the surface, a hydrodynamic flow along the surface is generated. Surface-surfactant interaction largely governs LDDO. It is shown that surfactant adsorption depends on the isomerization state of the surfactant. Photoisomerization, therefore, triggers a surfactant attachment or detachment from the surface. This change is considered to be one of the reasons for the formation of LDDO flow. These flows are introduced not only by a focused laser source but also by global irradiation. Porous particles show reversible repulsive and attractive interactions when dispersed in the solution of photosensitive surfactant. Repulsion and attraction is controlled by the irradiation wavelength. Illumination with red light leads to formation of aggregates, while illumination with blue light leads to the formation of a well-separated grid with equal interparticle distances, between 2µm and 80µm, depending on the particle surface density. These long-range interactions are considered to be a result of an increase or decrease of surfactant concentration around each particle, depending on the irradiation wavelength. Surfactant molecules adsorb inside the pores of the particles. A light-induced photoisomerization changes adsorption to the pores and drives surfactant molecules to the outside. The concentration gradients generate symmetric flows around each single particle resulting in local LDDO. With a break of the symmetry (i.e., by closing one side of the particle with a metal cap), one can achieve active self-propelled particle motion.}, language = {en} } @phdthesis{ZamoraLopez2009, author = {Zamora-L{\´o}pez, Gorka}, title = {Linking structure and function of complex cortical networks}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-52257}, school = {Universit{\"a}t Potsdam}, year = {2009}, abstract = {The recent discovery of an intricate and nontrivial interaction topology among the elements of a wide range of natural systems has altered the manner we understand complexity. For example, the axonal fibres transmitting electrical information between cortical regions form a network which is neither regular nor completely random. Their structure seems to follow functional principles to balance between segregation (functional specialisation) and integration. Cortical regions are clustered into modules specialised in processing different kinds of information, e.g. visual or auditory. However, in order to generate a global perception of the real world, the brain needs to integrate the distinct types of information. Where this integration happens, nobody knows. We have performed an extensive and detailed graph theoretical analysis of the cortico-cortical organisation in the brain of cats, trying to relate the individual and collective topological properties of the cortical areas to their function. We conclude that the cortex possesses a very rich communication structure, composed of a mixture of parallel and serial processing paths capable of accommodating dynamical processes with a wide variety of time scales. The communication paths between the sensory systems are not random, but largely mediated by a small set of areas. Far from acting as mere transmitters of information, these central areas are densely connected to each other, strongly indicating their functional role as integrators of the multisensory information. In the quest of uncovering the structure-function relationship of cortical networks, the peculiarities of this network have led us to continuously reconsider the stablished graph measures. For example, a normalised formalism to identify the "functional roles" of vertices in networks with community structure is proposed. The tools developed for this purpose open the door to novel community detection techniques which may also characterise the overlap between modules. The concept of integration has been revisited and adapted to the necessities of the network under study. Additionally, analytical and numerical methods have been introduced to facilitate understanding of the complicated statistical interrelations between the distinct network measures. These methods are helpful to construct new significance tests which may help to discriminate the relevant properties of real networks from side-effects of the evolutionary-growth processes.}, language = {en} } @phdthesis{Zakrevskyy2006, author = {Zakrevskyy, Yuriy}, title = {Liquid crystallinity and alignment of ionic self-assembly complexes}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-10048}, school = {Universit{\"a}t Potsdam}, year = {2006}, abstract = {In this work the first observation of new type of liquid crystals is presented. This is ionic self-assembly (ISA) liquid crystals formed by introduction of oppositely charged ions between different low molecular tectonic units. As practically all conventional liquid crystals consist of rigid core and alkyl chains the attention is focused to the simplest case where oppositely charged ions are placed between a rigid core and alkyl tails. The aim of this work is to investigate and understand liquid crystalline and alignment properties of these materials. It was found that ionic interactions within complexes play the main role. Presence of these interactions restricts transition to isotropic phase. In addition, these interactions hold the system (like network) allowing crystallization into a single domain from aligned LC state. Alignment of these simple ISA complexes was spontaneous on a glass substrate. In order to show potentials for application perylenediimide and azobenzene containing ISA complexes have been investigated for correlations between phase behavior and their alignment properties. The best results of macroscopic alignment of perylenediimide-based ISA complexes have been obtained by zone-casting method. In the aligned films the columns of the complex align perpendicular to the phase-transition front. The obtained anisotropy (DR = 18) is thermally stable. The investigated photosensitive (azobenzene-based) ISA complexes show formation of columnar LC phases. It was demonstrated that photo alignment of such complexes was very effective (DR = 50 has been obtained). It was shown that photo-reorientation in the photosensitive ISA complexes is cooperative process. The size of domains has direct influence on efficiency of the photo-reorientation process. In the case of small domains the photo-alignment is the most effective. Under irradiation with linearly polarized light domains reorient in the plane of the film leading to macroscopic alignment of columns parallel to the light polarization and joining of small domains into big ones. Finally, the additional distinguishable properties of the ISA liquid crystalline complexes should be noted: (I) the complexes do not solve in water but readily solve in organic solvents; (II) the complexes have good film-forming properties when cast or spin-coated from organic solvent; (III) alignment of the complexes depends on their structure and secondary interactions between tectonic units.}, subject = {Fl{\"u}ssigkristall}, language = {en} } @phdthesis{Imperia2002, author = {Imperia, Paolo}, title = {Localised states in organic semiconductors and their detection}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0000477}, school = {Universit{\"a}t Potsdam}, year = {2002}, abstract = {In den letzten Jahren ist eine Vielzahl neuer organischer Polymere und niedermolekularer Verbindungen synthetisiert worden, die sich als aktive Komponente f{\"u}r Elektrolumineszenz-Bauelemente und andere elektronische Anwendungen eignen. Trotz der großen technologischen Bedeutung und des erheblichen Fortschrittes, der bei der Herstellung solcher Materialien erzielt worden ist, sind grundlegende physikalische Eigenschaften dieser Materialklassen noch nicht ausreichend erforscht. Insbesondere das Auftreten lokalisierter Zust{\"a}nde innerhalb der Bandl{\"u}cke hat besondere Bedeutung f{\"u}r ihre elektronischen Eigenschaften. Sowohl die Pr{\"a}senz dieser flachen traps (Fallen, L{\"o}cher) als auch der Einfluß der Herstellungsbedingungen auf die tiefen und flachen lokalisierten Zust{\"a}nde wurden bisher nicht systematisch untersucht. Thermische Techniken sind wichtige Methoden, um lokalisierte Niveaus in organischen und anorganischen Materialien zu erforschen. Themisch-Stimulierte Lumineszenz (TSL), Thermisch-Stimulierte Str{\"o}me (TSC) und Thermisch-Stimulierte Depolarisierte Str{\"o}me (TSDC) erm{\"o}glichen die Untersuchung flacher und tiefer traps; in Verbindung mit DiElektrischer Spektroskopie (DES) k{\"o}nnen außerdem Polarisations- und Depolarisationseffekte studiert werden. Mit Hilfe numerischer Simulationen haben wir die kinetischen Gleichungen erster und zweiter Ordnung untersucht, die sich durch schwaches bzw. starkes Wieder-Fangen beschreiben lassen. In diesen Gleichungen haben wir Gaussian-, exponentielle und quasi-kontinuierliche Verteilungen von lokalisierten Zust{\"a}nde ber{\"u}cksichtigt. Durch Ver{\"a}nderung der beiden wichtigsten Parameter (Tiefe der traps E und H{\"a}ufigkeit) konnte die Form der thermischen Maxima untersucht werden. Auch die die Gaussian-Verteilung bestimmenden Faktoren wurden ver{\"a}ndert. Diese theoretischen Ergebnisse wurden auf die experimentellen Glow-Kurven angewandt. D{\"u}nne Filme aus polymeren und niedermolekularen Verbindungen (Polyphenylquinoxaline, Trisphenylquinoxaline und Oxadiazole), die wegen ihrer technologischen Bedeutung ausgew{\"a}hlt wurden, zeigen komplexes thermisches Verhalten. Insbesondere hoch geordnete Filme eines amphiphil substituierten 2-(p-nitrophenyl)-5-(p-undecylamidophenyl)-1,3,4-oxadiazols (NADPO) zeichnen sich durch komplexe TSL-Diagramme aus. Im Bereich von Em = 4 meV wurde eine Region flacher traps gefunden. Zwei weitere TSL-Maxima treten bei Tm = 221.5 K bzw. Tm = 254.2 K auf. Sie besitzen Aktivierungsenergien von Em= 0.63 eV bzw. Em = 0.66 eV, ihre Frequenzfaktoren betragen s = 2.4x1012 s-1 bzw. s = 1.85x1011 s-1, sie zeigen Breiten der Verteilung von s = 0.045 eV bzw. s = 0.088 eV. Des weiteren zeigt diese Arbeit, daß die Form der Glow-Kurven stark von der Anregungstemperatur und vom thermischen Kreislauf beeinflußt wird.}, language = {en} } @phdthesis{Hintsche2018, author = {Hintsche, Marius}, title = {Locomotion of a bacterium with a polar bundle of flagella}, doi = {10.25932/publishup-42697}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-426972}, school = {Universit{\"a}t Potsdam}, pages = {xi, 108}, year = {2018}, abstract = {Movement and navigation are essential for many organisms during some parts of their lives. This is also true for bacteria, which can move along surfaces and swim though liquid environments. They are able to sense their environment, and move towards environmental cues in a directed fashion. These abilities enable microbial lifecyles in biofilms, improved food uptake, host infection, and many more. In this thesis we study aspects of the swimming movement - or motility - of the soil bacterium (P. putida). Like most bacteria, P. putida swims by rotating its helical flagella, but their arrangement differs from the main model organism in bacterial motility research: (E. coli). P. putida is known for its intriguing motility strategy, where fast and slow episodes can occur after each other. Up until now, it was not known how these two speeds can be produced, and what advantages they might confer to this bacterium. Normally the flagella, the main component of thrust generation in bacteria, are not observable by ordinary light microscopy. In order to elucidate this behavior, we therefore used a fluorescent staining technique on a mutant strain of this species to specifically label the flagella, while leaving the cell body only faintly stained. This allowed us to image the flagella of the swimming bacteria with high spacial and temporal resolution with a customized high speed fluorescence microscopy setup. Our observations show that P. putida can swim in three different modes. First, It can swim with the flagella pushing the cell body, which is the main mode of swimming motility previously known from other bacteria. Second, it can swim with the flagella pulling the cell body, which was thought not to be possible in situations with multiple flagella. Lastly, it can wrap its flagellar bundle around the cell body, which results in a speed wich is slower by a factor of two. In this mode, the flagella are in a different physical conformation with a larger radius so the cell body can fit inside. These three swimming modes explain the previous observation of two speeds, as well as the non strict alternation of the different speeds. Because most bacterial swimming in nature does not occur in smoothly walled glass enclosures under a microscope, we used an artificial, microfluidic, structured system of obstacles to study the motion of our model organism in a structured environment. Bacteria were observed in microchannels with cylindrical obstacles of different sizes and with different distances with video microscopy and cell tracking. We analyzed turning angles, run times, and run length, which we compared to a minimal model for movement in structured geometries. Our findings show that hydrodynamic interactions with the walls lead to a guiding of the bacteria along obstacles. When comparing the observed behavior with the statics of a particle that is deflected with every obstacle contact, we find that cells run for longer distances than that model. Navigation in chemical gradients is one of the main applications of motility in bacteria. We studied the swimming response of P. putida cells to chemical stimuli (chemotaxis) of the common food preservative sodium benzoate. Using a microfluidic gradient generation device, we created gradients of varying strength, and observed the motion of cells with a video microscope and subsequent cell tracking. Analysis of different motility parameters like run lengths and times, shows that P. putida employs the classical chemotaxis strategy of E. coli: runs up the gradient are biased to be longer than those down the gradient. Using the two different run speeds we observed due to the different swimming modes, we classify runs into `fast' and `slow' modes with a Gaussian mixture model (GMM). We find no evidence that P. putida's uses its swimming modes to perform chemotaxis. In most studies of bacterial motility, cell tracking is used to gather trajectories of individual swimming cells. These trajectories then have to be decomposed into run sections and tumble sections. Several algorithms have been developed to this end, but most require manual tuning of a number of parameters, or extensive measurements with chemotaxis mutant strains. Together with our collaborators, we developed a novel motility analysis scheme, based on generalized Kramers-Moyal-coefficients. From the underlying stochastic model, many parameters like run length etc., can be inferred by an optimization procedure without the need for explicit run and tumble classification. The method can, however, be extended to a fully fledged tumble classifier. Using this method, we analyze E. coli chemotaxis measurements in an aspartate analog, and find evidence for a chemotactic bias in the tumble angles.}, language = {en} } @phdthesis{Bostroem2004, author = {Bostr{\"o}m, Kim}, title = {Lossless quantum data compression and secure direct communication}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001383}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Diese Dissertation behandelt die Kodierung und Verschickung von Information durch einen Quantenkanal. Ein Quantenkanal besteht aus einem quantenmechanischen System, welches vom Sender manipuliert und vom Empf{\"a}nger ausgelesen werden kann. Dabei repr{\"a}sentiert der individuelle Zustand des Kanals die Nachricht. Die zwei Themen der Dissertation umfassen 1) die M{\"o}glichkeit, eine Nachricht in einem Quantenkanal verlustfrei zu komprimieren und 2) die M{\"o}glichkeit eine Nachricht von einer Partei zu einer einer anderen direkt und auf sichere Weise zu {\"u}bermitteln, d.h. ohne dass es einer dritte Partei m{\"o}glich ist, die Nachricht abzuh{\"o}ren und dabei unerkannt zu bleiben. Die wesentlichen Ergebnisse der Dissertation sind die folgenden. Ein allgemeiner Formalismus f{\"u}r Quantencodes mit variabler L{\"a}nge wird ausgearbeitet. Diese Codes sind notwendig um verlustfreie Kompression zu erm{\"o}glichen. Wegen der Quantennatur des Kanals sind die codierten Nachrichten allgemein in einer Superposition von verschiedenen L{\"a}ngen. Es zeigt sich, daß es unm{\"o}glich ist eine Quantennachricht verlustfrei zu komprimieren, wenn diese dem Sender nicht apriori bekannt ist. Im anderen Falle wird die M{\"o}glichkeit verlustfreier Quantenkompression gezeigt und eine untere Schranke f{\"u}r die Kompressionsrate abgeleitet. Des weiteren wird ein expliziter Kompressionsalgorithmus konstruiert, der f{\"u}r beliebig vorgegebene Ensembles aus Quantennachrichten funktioniert. Ein quantenkryptografisches Prokoll - das \“Ping-Pong Protokoll\” - wird vorgestellt, welches die sichere direkte {\"u}bertragung von klassischen Nachrichten durch einen Quantenkanal erm{\"o}glicht. Die Sicherheit des Protokolls gegen beliebige Abh{\"o}rangriffe wird bewiesen f{\"u}r den Fall eines idealen Quantenkanals. Im Gegensatz zu anderen quantenkryptografischen Verfahren ist das Ping-Pong Protokoll deterministisch und kann somit sowohl f{\"u}r die {\"U}bermittlung eines zuf{\"a}lligen Schl{\"u}ssels als auch einer komponierten Nachricht verwendet werden. Das Protokoll is perfekt sicher f{\"u}r die {\"U}bertragung eines Schl{\"u}ssels und quasi-sicher f{\"u}r die direkte {\"U}bermittlung einer Nachricht. Letzteres bedeutet, dass die Wahrscheinlichkeit eines erfolgreichen Abh{\"o}rangriffs exponenziell mit der L{\"a}nge der Nachricht abnimmt.}, language = {en} } @phdthesis{Ghaisari2017, author = {Ghaisari, Sara}, title = {Magnetic anisotropy analysis of magnetic nanoparticles in magnetotactic bacteria}, school = {Universit{\"a}t Potsdam}, pages = {115}, year = {2017}, language = {en} } @phdthesis{Zhang2008, author = {Zhang, Bo}, title = {Magnetic fields near microstructured surfaces : application to atom chips}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-28984}, school = {Universit{\"a}t Potsdam}, year = {2008}, abstract = {Microfabricated solid-state surfaces, also called atom chip', have become a well-established technique to trap and manipulate atoms. This has simplified applications in atom interferometry, quantum information processing, and studies of many-body systems. Magnetic trapping potentials with arbitrary geommetries are generated with atom chip by miniaturized current-carrying conductors integrated on a solid substrate. Atoms can be trapped and cooled to microKelvin and even nanoKelvin temperatures in such microchip trap. However, cold atoms can be significantly perturbed by the chip surface, typically held at room temperature. The magnetic field fluctuations generated by thermal currents in the chip elements may induce spin flips of atoms and result in loss, heating and decoherence. In this thesis, we extend previous work on spin flip rates induced by magnetic noise and consider the more complex geometries that are typically encountered in atom chips: layered structures and metallic wires of finite cross-section. We also discuss a few aspects of atom chips traps built with superconducting structures that have been suggested as a means to suppress magnetic field fluctuations. The thesis describes calculations of spin flip rates based on magnetic Green functions that are computed analytically and numerically. For a chip with a top metallic layer, the magnetic noise depends essentially on the thickness of that layer, as long as the layers below have a much smaller conductivity. Based on this result, scaling laws for loss rates above a thin metallic layer are derived. A good agreement with experiments is obtained in the regime where the atom-surface distance is comparable to the skin depth of metal. Since in the experiments, metallic layers are always etched to separate wires carrying different currents, the impact of the finite lateral wire size on the magnetic noise has been taken into account. The local spectrum of the magnetic field near a metallic microstructure has been investigated numerically with the help of boundary integral equations. The magnetic noise significantly depends on polarizations above flat wires with finite lateral width, in stark contrast to an infinitely wide wire. Correlations between multiple wires are also taken into account. In the last part, superconducting atom chips are considered. Magnetic traps generated by superconducting wires in the Meissner state and the mixed state are studied analytically by a conformal mapping method and also numerically. The properties of the traps created by superconducting wires are investigated and compared to normal conducting wires: they behave qualitatively quite similar and open a route to further trap miniaturization, due to the advantage of low magnetic noise. We discuss critical currents and fields for several geometries.}, language = {en} } @phdthesis{Memola2002, author = {Memola, Elisabetta}, title = {Magnetic jets from accretion disks : field structure and X-ray emission}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0000458}, school = {Universit{\"a}t Potsdam}, year = {2002}, abstract = {Astrophysikalische Jets sind stark kollimierte Materiestr{\"o}mungen hoher Geschwindigkeit. Sie stehen im Zusammenhang mit einer F{\"u}lle verschiedener astrophysikalischer Objekte wie jungen Sternen, stellaren schwarzen L{\"o}chern ('Mikro-Quasare'), Galaxien mit aktivem Kern (AGN) und wahrscheinlich auch mit dem beobachteten intensiven Aufblitzen von Gamma-Strahlung (Gamma Ray Bursts). Insbesondere hat sich gezeigt, dass die Jets der Mikro-Quasare wahrscheinlich als kleinskalige Version der Jets der AGN anzusehen sind. Neben den Beobachtungen haben vor allem auch theoretische {\"U}berlegungen gezeigt, dass Magnetfelder bei der Jetentstehung, -beschleunigung und -kollimation eine wichtige Rolle spielen. Weiterhin scheinen Jets systematisch verkn{\"u}pft zu sein mit dem Vorhandensein einer Akkretionsscheibe um das zentrale Objekt. Insbesondere wenn ein schwarzes Loch den Zentralk{\"o}rper darstellt, ist die umgebende Akkretionsscheibe der einzig m{\"o}gliche Ort um Magnetfeld erzeugen zu k{\"o}nnen. Wir sind speziell interessiert am Entstehungsprozess hoch relativistischer Jets wie sie bei Mikro-Quasaren und AGN beobachtet werden. Insbesondere untersuchen wir die Region, in der der Jet kollimiert, eine Region, deren r{\"a}umliche Ausdehnung extrem klein ist selbst im Vergleich zur Aufl{\"o}sung der Radioteleskope. Dies ist ein Grund, wieso zum heutigen Zeitpunkt f{\"u}r die meisten Quellen die theoretische Modellierung die einzige M{\"o}glichkeit darstellt, um Information {\"u}ber die physikalischen Prozesse in der innersten Region der Jetentstehung zu erhalten. Uns ist es zum ersten Mal gelungen, die globale zwei-dimensionale Magnetfeldstruktur station{\"a}rer, axialsymmetrischer, relativistischer und stark magnetisierter (kr{\"a}fte-freier) Jets zu berechnen, die zum einen asymptotisch in einen zylindrischen Jet kollimieren, zum anderen aber in einer differential rotierenden Akkretionsscheibe verankert sind. Damit erlaubt dieser Ansatz eine physikalische Verkn\&\#168;upfung zwischen Akkretionsscheibe und dem asymptotischen Jet. Nimmt man also an, dass die Fußpunkte der Magnetfeldlinien mit Keplergeschwindigkeit rotieren, so kann man eine direkte Skalierung der Jetmagnetosphere mit der Gr{\"o}ße des Zentralobjektes erhalten. Unsere Resultate zeigen eine gute {\"U}bereinstimmung zwischen unserem Modell und Beobachtungen des Jets von M87. F{\"u}r das Beispiel eines relativistischen Mikroquasarjets haben wir die R{\"o}ntgenemission im Bereich von 0.2-10.1 keV berechnet. Daf{\"u}r haben wir in der Literatur aus den relativistischen magnetohydrodynamischen Gleichungen berechnete Jetgr{\"o}ßen (Dichte-, Geschwindigkeits-, und Temperaturprofil) verwendet und das Spektrum f{\"u}r jeden Punkt entlang der Jetstr{\"o}mung abgeleitet. Das theoretische thermische R{\"o}ntgenspektrum des innersten, heißen Teils des Jets erhalten wir zusammengesetzt aus den spektralen Anteilen der einzelnen Volumenelemente entlang des Jets. Um relativistische Effekte wie Dopplerverschiebung und -verst{\"a}rkung (boosting) aufgrund der Jetbewegung zu untersuchen, haben wir f{\"u}r verschiedene Inklinationswinkel des Jets zur Sichtlinie berechnet, wie die erhaltenen Spektren davon beeinflusst werden. Unsere Spektren zeigen deutlich die hochionisierten Eisen-Emissionslinien, die in den galaktischen Mikroquasaren GRS 1915+105 und XTE J1748-288 andeutungsweise beobachtet wurden. Eine Dopplerverschiebung dieser Linien ist in unseren Spektren deutlichzu sehen. Da die innerste, R{\"o}ntgenstrahlung emittierende Region des magnetohydrodynamischen Jets allerdings noch unkollimiert ist, spielt Dopplerboosting in unseren Spektren, abh{\"a}ngig vom Sichtwinkel, keine große Rolle. Mit unseren Resultaten konnte zum ersten Mal ein R{\"o}ntgenspektrum gewonnen werden, das auf der numerischen L{\"o}sung eines magnetohydrodynamischen Jets beruht.}, language = {en} } @phdthesis{Reppert2021, author = {Reppert, Alexander von}, title = {Magnetic strain contributions in laser-excited metals studied by time-resolved X-ray diffraction}, doi = {10.25932/publishup-53558}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-535582}, school = {Universit{\"a}t Potsdam}, pages = {XV, 311}, year = {2021}, abstract = {In this work I explore the impact of magnetic order on the laser-induced ultrafast strain response of metals. Few experiments with femto- or picosecond time-resolution have so far investigated magnetic stresses. This is contrasted by the industrial usage of magnetic invar materials or magnetostrictive transducers for ultrasound generation, which already utilize magnetostrictive stresses in the low frequency regime. In the reported experiments I investigate how the energy deposition by the absorption of femtosecond laser pulses in thin metal films leads to an ultrafast stress generation. I utilize that this stress drives an expansion that emits nanoscopic strain pulses, so called hypersound, into adjacent layers. Both the expansion and the strain pulses change the average inter-atomic distance in the sample, which can be tracked with sub-picosecond time resolution using an X-ray diffraction setup at a laser-driven Plasma X-ray source. Ultrafast X-ray diffraction can also be applied to buried layers within heterostructures that cannot be accessed by optical methods, which exhibit a limited penetration into metals. The reconstruction of the initial energy transfer processes from the shape of the strain pulse in buried detection layers represents a contribution of this work to the field of picosecond ultrasonics. A central point for the analysis of the experiments is the direct link between the deposited energy density in the nano-structures and the resulting stress on the crystal lattice. The underlying thermodynamical concept of a Gr{\"u}neisen parameter provides the theoretical framework for my work. I demonstrate how the Gr{\"u}neisen principle can be used for the interpretation of the strain response on ultrafast timescales in various materials and that it can be extended to describe magnetic stresses. The class of heavy rare-earth elements exhibits especially large magnetostriction effects, which can even lead to an unconventional contraction of the laser-excited transducer material. Such a dominant contribution of the magnetic stress to the motion of atoms has not been demonstrated previously. The observed rise time of the magnetic stress contribution in Dysprosium is identical to the decrease in the helical spin-order, that has been found previously using time-resolved resonant X-ray diffraction. This indicates that the strength of the magnetic stress can be used as a proxy of the underlying magnetic order. Such magnetostriction measurements are applicable even in case of antiparallel or non-collinear alignment of the magnetic moments and a vanishing magnetization. The strain response of metal films is usually determined by the pressure of electrons and lattice vibrations. I have developed a versatile two-pulse excitation routine that can be used to extract the magnetic contribution to the strain response even if systematic measurements above and below the magnetic ordering temperature are not feasible. A first laser pulse leads to a partial ultrafast demagnetization so that the amplitude and shape of the strain response triggered by the second pulse depends on the remaining magnetic order. With this method I could identify a strongly anisotropic magnetic stress contribution in the magnetic data storage material iron-platinum and identify the recovery of the magnetic order by the variation of the pulse-to-pulse delay. The stark contrast of the expansion of iron-platinum nanograins and thin films shows that the different constraints for the in-plane expansion have a strong influence on the out-of-plane expansion, due to the Poisson effect. I show how such transverse strain contributions need to be accounted for when interpreting the ultrafast out-of-plane strain response using thermal expansion coefficients obtained in near equilibrium conditions. This work contributes an investigation of magnetostriction on ultrafast timescales to the literature of magnetic effects in materials. It develops a method to extract spatial and temporal varying stress contributions based on a model for the amplitude and shape of the emitted strain pulses. Energy transfer processes result in a change of the stress profile with respect to the initial absorption of the laser pulses. One interesting example occurs in nanoscopic gold-nickel heterostructures, where excited electrons rapidly transport energy into a distant nickel layer, that takes up much more energy and expands faster and stronger than the laser-excited gold capping layer. Magnetic excitations in rare earth materials represent a large energy reservoir that delays the energy transfer into adjacent layers. Such magneto-caloric effects are known in thermodynamics but not extensively covered on ultrafast timescales. The combination of ultrafast X-ray diffraction and time-resolved techniques with direct access to the magnetization has a large potential to uncover and quantify such energy transfer processes.}, language = {en} } @phdthesis{Zeuschner2022, author = {Zeuschner, Steffen Peer}, title = {Magnetoacoustics observed with ultrafast x-ray diffraction}, doi = {10.25932/publishup-56109}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-561098}, school = {Universit{\"a}t Potsdam}, pages = {V, 128, IX}, year = {2022}, abstract = {In the present thesis I investigate the lattice dynamics of thin film hetero structures of magnetically ordered materials upon femtosecond laser excitation as a probing and manipulation scheme for the spin system. The quantitative assessment of laser induced thermal dynamics as well as generated picosecond acoustic pulses and their respective impact on the magnetization dynamics of thin films is a challenging endeavor. All the more, the development and implementation of effective experimental tools and comprehensive models are paramount to propel future academic and technological progress. In all experiments in the scope of this cumulative dissertation, I examine the crystal lattice of nanoscale thin films upon the excitation with femtosecond laser pulses. The relative change of the lattice constant due to thermal expansion or picosecond strain pulses is directly monitored by an ultrafast X-ray diffraction (UXRD) setup with a femtosecond laser-driven plasma X-ray source (PXS). Phonons and spins alike exert stress on the lattice, which responds according to the elastic properties of the material, rendering the lattice a versatile sensor for all sorts of ultrafast interactions. On the one hand, I investigate materials with strong magneto-elastic properties; The highly magnetostrictive rare-earth compound TbFe2, elemental Dysprosium or the technological relevant Invar material FePt. On the other hand I conduct a comprehensive study on the lattice dynamics of Bi1Y2Fe5O12 (Bi:YIG), which exhibits high-frequency coherent spin dynamics upon femtosecond laser excitation according to the literature. Higher order standing spinwaves (SSWs) are triggered by coherent and incoherent motion of atoms, in other words phonons, which I quantified with UXRD. We are able to unite the experimental observations of the lattice and magnetization dynamics qualitatively and quantitatively. This is done with a combination of multi-temperature, elastic, magneto-elastic, anisotropy and micro-magnetic modeling. The collective data from UXRD, to probe the lattice, and time-resolved magneto-optical Kerr effect (tr-MOKE) measurements, to monitor the magnetization, were previously collected at different experimental setups. To improve the precision of the quantitative assessment of lattice and magnetization dynamics alike, our group implemented a combination of UXRD and tr-MOKE in a singular experimental setup, which is to my knowledge, the first of its kind. I helped with the conception and commissioning of this novel experimental station, which allows the simultaneous observation of lattice and magnetization dynamics on an ultrafast timescale under identical excitation conditions. Furthermore, I developed a new X-ray diffraction measurement routine which significantly reduces the measurement time of UXRD experiments by up to an order of magnitude. It is called reciprocal space slicing (RSS) and utilizes an area detector to monitor the angular motion of X-ray diffraction peaks, which is associated with lattice constant changes, without a time-consuming scan of the diffraction angles with the goniometer. RSS is particularly useful for ultrafast diffraction experiments, since measurement time at large scale facilities like synchrotrons and free electron lasers is a scarce and expensive resource. However, RSS is not limited to ultrafast experiments and can even be extended to other diffraction techniques with neutrons or electrons.}, language = {en} } @phdthesis{Maiti2023, author = {Maiti, Snehanshu}, title = {Magnetohydrodynamic turbulence and cosmic ray transport}, doi = {10.25932/publishup-58903}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-589030}, school = {Universit{\"a}t Potsdam}, pages = {vii, 81}, year = {2023}, abstract = {The first part of the thesis studies the properties of fast mode in magneto hydro-dynamic (MHD) turbulence. 1D and 3D numerical simulations are carried out to generate decaying fast mode MHD turbulence. The injection of waves are carried out in a collinear and isotropic fashion to generate fast mode turbulence. The properties of fast mode turbulence are analyzed by studying their energy spectral density, 2D structure functions and energy decay/cascade time. The injection wave vector is varied to study the dependence of the above properties on the injection wave vectors. The 1D energy spectrum obtained for the velocity and magnetic fields has 𝐸 (𝑘) ∝ 𝑘-2. The 2D energy spectrum and 2D structure functions in parallel and perpendicular directions shows that fast mode turbulence generated is isotropic in nature. The cascade/decay rate of fast mode MHD turbulence is proportional to 𝑘-0.5 for different kinds of wave vector injection. Simulations are also carried out in 1D and 3D to compare balanced and imbalanced turbulence. The results obtained shows that while 1D imbalanced turbulence decays faster than 1D balanced turbulence, there is no difference in the decay of 3D balanced and imbalanced turbulence for the current resolution of 512 grid points. "The second part of the thesis studies cosmic ray (CR) transport in driven MHD turbulence and is strongly dependent on it's properties. Test particle simulations are carried out to study CR interaction with both total MHD turbulence and decomposed MHD modes. The spatial diffusion coefficients and the pitch angle scattering diffusion coefficients are calculated from the test particle trajectories in turbulence. The results confirms that the fast modes dominate the CR propagation, whereas Alfv{\´e}n, slow modes are much less efficient with similar pitch angle scattering rates. The cross field transport on large and small scales are investigated next. On large/global scales, normal diffusion is observed and the diffusion coefficient is suppressed by 𝑀𝜁𝐴 compared to the parallel diffusion coefficients, with 𝜁 closer to 4 in Alfv{\´e}n modes than that in total turbulence as theoretically expected. For the CR transport on scales smaller than the turbulence injection scale 𝐿, both the local and global magnetic reference frames are adopted. Super diffusion is observed on such small scales in all the cases. Particularly, CR transport in Alfv{\´e}n modes show clear Richardson diffusion in the local reference frame. The diffusion transition smoothly from the Richardson's one with index 1.5 to normal diffusion as particle's mean free path decreases from 𝜆∥ ≫ 𝐿 to 𝜆∥ ≪ 𝐿. These results have broad applications to CRs in various astrophysical environments".}, language = {en} } @phdthesis{Pazienti2007, author = {Pazienti, Antonio}, title = {Manipulations of spike trains and their impact on synchrony analysis}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17447}, school = {Universit{\"a}t Potsdam}, year = {2007}, abstract = {The interaction between neuronal cells can be identified as the computing mechanism of the brain. Neurons are complex cells that do not operate in isolation, but they are organized in a highly connected network structure. There is experimental evidence that groups of neurons dynamically synchronize their activity and process brain functions at all levels of complexity. A fundamental step to prove this hypothesis is to analyze large sets of single neurons recorded in parallel. Techniques to obtain these data are meanwhile available, but advancements are needed in the pre-processing of the large volumes of acquired data and in data analysis techniques. Major issues include extracting the signal of single neurons from the noisy recordings (referred to as spike sorting) and assessing the significance of the synchrony. This dissertation addresses these issues with two complementary strategies, both founded on the manipulation of point processes under rigorous analytical control. On the one hand I modeled the effect of spike sorting errors on correlated spike trains by corrupting them with realistic failures, and studied the corresponding impact on correlation analysis. The results show that correlations between multiple parallel spike trains are severely affected by spike sorting, especially by erroneously missing spikes. When this happens sorting strategies characterized by classifying only good'' spikes (conservative strategies) lead to less accurate results than tolerant'' strategies. On the other hand, I investigated the effectiveness of methods for assessing significance that create surrogate data by displacing spikes around their original position (referred to as dithering). I provide analytical expressions of the probability of coincidence detection after dithering. The effectiveness of spike dithering in creating surrogate data strongly depends on the dithering method and on the method of counting coincidences. Closed-form expressions and bounds are derived for the case where the dither equals the allowed coincidence interval. This work provides new insights into the methodologies of identifying synchrony in large-scale neuronal recordings, and of assessing its significance.}, language = {en} } @phdthesis{Paul2017, author = {Paul, Fabian}, title = {Markov state modeling of binding and conformational changes of proteins}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-404273}, school = {Universit{\"a}t Potsdam}, pages = {X, 112}, year = {2017}, abstract = {Proteins are molecules that are essential for life and carry out an enormous number of functions in organisms. To this end, they change their conformation and bind to other molecules. However, the interplay between conformational change and binding is not fully understood. In this work, this interplay is investigated with molecular dynamics (MD) simulations of the protein-peptide system Mdm2-PMI and by analysis of data from relaxation experiments. The central task it to uncover the binding mechanism, which is described by the sequence of (partial) binding events and conformational change events including their probabilities. In the simplest case, the binding mechanism is described by a two-step model: binding followed by conformational change or conformational change followed by binding. In the general case, longer sequences with multiple conformational changes and partial binding events are possible as well as parallel pathways that differ in their sequences of events. The theory of Markov state models (MSMs) provides the theoretical framework in which all these cases can be modeled. For this purpose, MSMs are estimated in this work from MD data, and rate equation models, which are related to MSMs, are inferred from experimental relaxation data. The MD simulation and Markov modeling of the PMI-Mdm2 system shows that PMI and Mdm2 can bind via multiple pathways. A main result of this work is a dissociation rate on the order of one event per second, which was calculated using Markov modeling and is in agreement with experiment. So far, dissociation rates and transition rates of this magnitude have only been calculated with methods that speed up transitions by acting with time-dependent, external forces on the binding partners. The simulation technique developed in this work, in contrast, allows the estimation of dissociation rates from the combination of free energy calculation and direct MD simulation of the fast binding process. Two new statistical estimators TRAM and TRAMMBAR are developed to estimate a MSM from the joint data of both simulation types. In addition, a new analysis technique for time-series data from chemical relaxation experiments is developed in this work. It allows to identify one of the above-mentioned two-step mechanisms as the mechanism that underlays the data. The new method is valid for a broader range of concentrations than previous methods and therefore allows to choose the concentrations such that the mechanism can be uniquely identified. It is successfully tested with data for the binding of recoverin to a rhodopsin kinase peptide.}, language = {en} } @phdthesis{Yin2010, author = {Yin, Fan}, title = {Mathematic approaches for the calibration of the CHAMP satellite magnetic field measurements}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-41201}, school = {Universit{\"a}t Potsdam}, year = {2010}, abstract = {CHAMP (CHAllenging Minisatellite Payload) is a German small satellite mission to study the earth's gravity field, magnetic field and upper atmosphere. Thanks to the good condition of the satellite so far, the planned 5 years mission is extended to year 2009. The satellite provides continuously a large quantity of measurement data for the purpose of Earth study. The measurements of the magnetic field are undertaken by two Fluxgate Magnetometers (vector magnetometer) and one Overhauser Magnetometer (scalar magnetometer) flown on CHAMP. In order to ensure the quality of the data during the whole mission, the calibration of the magnetometers has to be performed routinely in orbit. The scalar magnetometer serves as the magnetic reference and its readings are compared with the readings of the vector magnetometer. The readings of the vector magnetometer are corrected by the parameters that are derived from this comparison, which is called the scalar calibration. In the routine processing, these calibration parameters are updated every 15 days by means of scalar calibration. There are also magnetic effects coming from the satellite which disturb the measurements. Most of them have been characterized during tests before launch. Among them are the remanent magnetization of the spacecraft and fields generated by currents. They are all considered to be constant over the mission life. The 8 years of operation experience allow us to investigate the long-term behaviors of the magnetometers and the satellite systems. According to the investigation, it was found that for example the scale factors of the FGM show obvious long-term changes which can be described by logarithmic functions. The other parameters (offsets and angles between the three components) can be considered constant. If these continuous parameters are applied for the FGM data processing, the disagreement between the OVM and the FGM readings is limited to \pm1nT over the whole mission. This demonstrates, the magnetometers on CHAMP exhibit a very good stability. However, the daily correction of the parameter Z component offset of the FGM improves the agreement between the magnetometers markedly. The Z component offset plays a very important role for the data quality. It exhibits a linear relationship with the standard deviation of the disagreement between the OVM and the FGM readings. After Z offset correction, the errors are limited to \pm0.5nT (equivalent to a standard deviation of 0.2nT). We improved the corrections of the spacecraft field which are not taken into account in the routine processing. Such disturbance field, e.g. from the power supply system of the satellite, show some systematic errors in the FGM data and are misinterpreted in 9-parameter calibration, which brings false local time related variation of the calibration parameters. These corrections are made by applying a mathematical model to the measured currents. This non-linear model is derived from an inversion technique. If the disturbance field of the satellite body are fully corrected, the standard deviation of scalar error \triangle B remains about 0.1nT. Additionally, in order to keep the OVM readings a reliable standard, the imperfect coefficients of the torquer current correction for the OVM are redetermined by solving a minimization problem. The temporal variation of the spacecraft remanent field is investigated. It was found that the average magnetic moment of the magneto-torquers reflects well the moment of the satellite. This allows for a continuous correction of the spacecraft field. The reasons for the possible unknown systemic error are discussed in this thesis. Particularly, both temperature uncertainties and time errors have influence on the FGM data. Based on the results of this thesis the data processing of future magnetic missions can be designed in an improved way. In particular, the upcoming ESA mission Swarm can take advantage of our findings and provide all the auxiliary measurements needed for a proper recovery of the ambient magnetic field.}, language = {en} } @phdthesis{Landau2020, author = {Landau, Livnat}, title = {Mechanical stimulation of in-vitro tissue growth using magnetic beads}, pages = {112}, year = {2020}, abstract = {Cells and tissues are sensitive to mechanical forces applied to them. In particular, bone forming cells and connective tissues, composed of cells embedded in fibrous extracellular matrix (ECM), are continuously remodeled in response to the loads they bear. The mechanoresponses of cells embedded in tissue include proliferation, differentiation, apoptosis, internal signaling between cells, and formation and resorption of tissue. Experimental in-vitro systems of various designs have demonstrated that forces affect tissue growth, maturation and mineralization. However, the results depended on different parameters such as the type and magnitude of the force applied in each study. Some experiments demonstrated that applied forces increase cell proliferation and inhibit cell maturation rate, while other studies found the opposite effect. When the effect of different magnitudes of forces was compared, some studies showed that higher forces resulted in a cell proliferation increase or differentiation decrease, while other studies observed the opposite trend or no trend at all. In this study, MC3T3-E1 cells, a cell line of pre-osteoblasts (bone forming cells), was used. In this cell line, cell differentiation is known to accelerate after cells stop proliferating, typically at confluency. This makes this cell line an interesting subject for studying the influence of forces on the switch between the proliferation stage of the precursor cell and the differentiation to the mature osteoblasts. A new experimental system was designed to perform systematic investigations of the influence of the type and magnitude of forces on tissue growth. A single well plate contained an array of 80 rectangular pores. Each pore was seeded with MC3T3-E1 cells. The culture medium contained magnetic beads (MBs) of 4.5 μm in diameter that were incorporated into the pre-osteoblast cells. Using an N52 neodymium magnet, forces ranging over three orders of magnitude were applied to MBs incorporated in cells at 10 different distances from the magnet. The amount of formed tissue was assessed after 24 days of culture. The experimental design allowed to obtain data concerning (i) the influence of the type of the force (static, oscillating, no force) on tissue growth; (ii) the influence of the magnitude of force (pN-nN range); (iii) the effect of functionalizing the magnetic beads with the tripeptide Arg-Gly-Asp (RGD). To learn about cell differentiation state, in the final state of the tissue growth experiments, an analysis for the expression of alkaline phosphatase (ALP), a well - known marker of osteoblast differentiation, was performed. The experiments showed that the application of static magnetic forces increased tissue growth compared to control, while oscillating forces resulted in tissue growth reduction. A statistically significant positive correlation was found between the amount of tissue grown and the magnitude of the oscillating magnetic force. A positive but non-significant correlation of the amount of tissue with the magnitude of forces was obtained when static forces were applied. Functionalizing the MBs with RGD peptides and applying oscillating forces resulted in an increase of tissue growth relative to tissues incubated with "plain" epoxy MBs. ALP expression decreased as a function of the magnitude of force both when static and oscillating forces were applied. ALP stain intensity was reduced relative to control when oscillating forces were applied and was not significantly different than control for static forces. The suggested interpretation of the experimental findings is that larger mechanical forces delay cell maturation and keep the pre-osteoblasts in a more proliferative stage characterized by more tissue formed and lower expression of ALP. While the influence of the force magnitude can be well explained by an effect of the force on the switch between proliferation and differentiation, the influence of force type (static or oscillating) is less clear. In particular, it is challenging to reconcile the reduction of tissue formed under oscillating forces as compared to controls with the simultaneous reduction of ALP expression. To better understand this, it may be necessary to refine the staining protocol of the scaffolds and to include the amount and structure of ECM as well as other factors that were not monitored in the experiment and which may influence tissue growth and maturation. The developed experimental system proved well suited for a systematic and efficient study of the mechanoresponsiveness of tissue growth, it allowed a study of the dependence of tissue growth on force magnitude ranging over three orders of magnitude, and a comparison between the effect of static and oscillating forces. Future experiments can explore the multiple parameters that affect tissue growth as a function of the magnitude of the force: by applying different time-dependent forces; by extending the force range studied; or by using different cell lines and manipulating the mechanotransduction in the cells biochemically.}, language = {en} } @phdthesis{Gomez2016, author = {Gomez, David}, title = {Mechanisms of biochemical reactions within crowded environments}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-94593}, school = {Universit{\"a}t Potsdam}, pages = {vii, 112}, year = {2016}, abstract = {The cell interior is a highly packed environment in which biological macromolecules evolve and function. This crowded media has effects in many biological processes such as protein-protein binding, gene regulation, and protein folding. Thus, biochemical reactions that take place in such crowded conditions differ from diluted test tube conditions, and a considerable effort has been invested in order to understand such differences. In this work, we combine different computationally tools to disentangle the effects of molecular crowding on biochemical processes. First, we propose a lattice model to study the implications of molecular crowding on enzymatic reactions. We provide a detailed picture of how crowding affects binding and unbinding events and how the separate effects of crowding on binding equilibrium act together. Then, we implement a lattice model to study the effects of molecular crowding on facilitated diffusion. We find that obstacles on the DNA impair facilitated diffusion. However, the extent of this effect depends on how dynamic obstacles are on the DNA. For the scenario in which crowders are only present in the bulk solution, we find that at some conditions presence of crowding agents can enhance specific-DNA binding. Finally, we make use of structure-based techniques to look at the impact of the presence of crowders on the folding a protein. We find that polymeric crowders have stronger effects on protein stability than spherical crowders. The strength of this effect increases as the polymeric crowders become longer. The methods we propose here are general and can also be applied to more complicated systems.}, language = {en} } @phdthesis{Kav2019, author = {Kav, Batuhan}, title = {Membrane adhesion mediated via lipid-anchored saccharides}, doi = {10.25932/publishup-42879}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-428790}, school = {Universit{\"a}t Potsdam}, pages = {125}, year = {2019}, abstract = {Membrane adhesion is a fundamental biological process in which membranes are attached to neighboring membranes or surfaces. Membrane adhesion emerges from a complex interplay between the binding of membrane-anchored receptors/ligands and the membrane properties. In this work, we study membrane adhesion mediated by lipid-anchored saccharides using microsecond-long full-atomistic molecular dynamics simulations. Motivated by neutron scattering experiments on membrane adhesion via lipid-anchored saccharides, we investigate the role of LeX, Lac1, and Lac2 saccharides and membrane fluctuations in membrane adhesion. We study the binding of saccharides in three different systems: for saccharides in water, for saccharides anchored to essentially planar membranes at fixed separations, and for saccharides anchored to apposing fluctuating membranes. Our simulations of two saccharides in water indicate that the saccharides engage in weak interactions to form dimers. We find that the binding occurs in a continuum of bound states instead of a certain number of well-defined bound structures, which we term as "diffuse binding". The binding of saccharides anchored to essentially planar membranes strongly depends on separation of the membranes, which is fixed in our simulation system. We show that the binding constants for trans-interactions of two lipid-anchored saccharides monotonically decrease with increasing separation. Saccharides anchored to the same membrane leaflet engage in cis-interactions with binding constants comparable to the trans-binding constants at the smallest membrane separations. The interplay of cis- and trans-binding can be investigated in simulation systems with many lipid-anchored saccharides. For Lac2, our simulation results indicate a positive cooperativity of trans- and cis-binding. In this cooperative binding the trans-binding constant is enhanced by the cis-interactions. For LeX, in contrast, we observe no cooperativity between trans- and cis-binding. In addition, we determine the forces generated by trans-binding of lipid-anchored saccharides in planar membranes from the binding-induced deviations of the lipid-anchors. We find that the forces acting on trans-bound saccharides increase with increasing membrane separation to values of the order of 10 pN. The binding of saccharides anchored to the fluctuating membranes results from an interplay between the binding properties of the lipid-anchored saccharides and membrane fluctuations. Our simulations, which have the same average separation of the membranes as obtained from the neutron scattering experiments, yield a binding constant larger than in planar membranes with the same separation. This result demonstrates that membrane fluctuations play an important role at average membrane separations which are seemingly too large for effective binding. We further show that the probability distribution of the local separation can be well approximated by a Gaussian distribution. We calculate the relative membrane roughness and show that our results are in good agreement with the roughness values reported from the neutron scattering experiments.}, language = {en} } @phdthesis{Albus2003, author = {Albus, Alexander P.}, title = {Mixtures of Bosonic and Fermionic atoms}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001065}, school = {Universit{\"a}t Potsdam}, year = {2003}, abstract = {Ziel der Arbeit war die systematische theoretische Behandlung von Gemischen aus bosonischen und fermionischen Atomen in einem Parameterbereich, der sich zur Beschreibung von aktuellen Experimenten mit ultra-kalten atomaren Gasen eignet. Zuerst wurde der Formalismus der Quantenfeldtheorie auf homogene, atomare Boson-Fermion Gemische erweitert, um grundlegende Gr{\"o}ßen wie Quasiteilchenspektren, die Grundzustandsenergie und daraus abgeleitete Gr{\"o}ßen {\"u}ber die Molekularfeldtheorie hinaus zu berechnen. Unter Zuhilfenahme der dieser Resultate System wurde ein Boson-Fermion Gemisch in einem Fallenpotential im Rahmen der Dichtefunktionaltheorie beschrieben. Daraus konnten die Dichteprofile ermittelt werden und es ließen sich drei Bereiche im Phasendiagramm identifizieren: (i) ein Bereich eines stabilen Gemisches, (ii) ein Bereich, in dem die Spezies entmischt sind und (iii) ein Bereich, in dem das System kollabiert. Im letzten dieser drei F{\"a}llen waren Austausch--Korrelationseffekte signifikant. Weiterhin wurde die {\"A}nderung der kritischen Temperatur der Bose-Einstein-Kondensation aufgrund der Boson-Fermion-Wechselwirkung berechnet. Verursacht wird dieser Effekt von Dichtumverteilungen aufgrund der Wechselwirkung. Dann wurden Boson-Fermion Gemische in optischen Gittern betrachtet. Ein Stabilit{\"a}tskriterium gegen Phasenentmischung wurde gefunden und es ließen sich Bedingungen f{\"u}r einen suprafl{\"u}ssig zu Mott-isolations Phasen{\"u}bergang angeben. Diese wurden sowohl mittels einer Molekularfeldrechnung als auch numerisch im Rahmen eines Gutzwilleransatzes gefunden. Es wurden weiterhin neuartige frustrierte Grundzust{\"a}nde im Fall von sehr großen Gitterst{\"a}rken gefunden.}, language = {en} } @phdthesis{Nikolov2004, author = {Nikolov, Vesselin Kirolov}, title = {Model membranes grafted with long polymers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001409}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Wir untersuchen, welchen Einfluss die Verankerung von langen, hydrophilen Polymeren in Lipidmembranen auf deren elastische Eigenschaften aus{\"u}bt. Theoretisch werden zwei Grenzbereiche f{\"u}r die spontane Kr{\"u}mmung der Membran erwartet: i) bei kleinen Oberfl{\"a}chenkonzentrationen des Polymers (Pilzgebiet) sollte die spontane Kr{\"u}mmung linear von der Oberfl{\"a}chendichte des verankerten Polymers abh{\"a}ngen; ii) bei hoher Bedeckung (B{\"u}rstengebiet) sollte die Abh{\"a}ngigkeit quadratisch sein. Wir versuchen, Vorhersagen f{\"u}r das B{\"u}rstengebiet zu pr{\"u}fen, indem wir die morphologischen Ver{\"a}nderungen beobachten, die bei Riesen (Giant)- Vesikeln hervorgerufen werden. Als lange Polymere verwenden wir fluoreszenzmarkierte \&\#955;-Phage DNA Molek{\"u}le, die durch eine Biotin-Avidin-Biotin Verbindung an biotinhaltigen Lipidvesikeln befestigt sind. Wir kontrollieren die Oberfl{\"a}chenkonzentration der Anker durch Variation der Menge an biotinhaltigem Lipid in der Membran. Die Menge der an der Membran verankerten DNA wird durch Fluoreszenzmessungen quantifiziert. {\"A}nderungen in den elastischen Eigenschaften der Membran bei Anbindung der DNA, werden {\"u}ber eine Analyse der Vesikel-Fluktuationen kontrolliert. Die spontane Kr{\"u}mmung der Membran steigt mit der Oberfl{\"a}chenbeladung. Bei h{\"o}heren Verankerungen bilden die Vesikel Knospen (budding). Die Gr{\"o}ße der Knospen kann ebenfalls zur Bestimmung der Kr{\"u}mmung der Membran verwendet werden. Der Einfluss auf die Biegesteifigkeit ist Thema weiterer Untersuchungen.}, language = {en} } @phdthesis{Aseev2020, author = {Aseev, Nikita}, title = {Modeling and understanding dynamics of charged particles in the Earth's inner magnetosphere}, doi = {10.25932/publishup-47921}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-479211}, school = {Universit{\"a}t Potsdam}, pages = {xxii, 154}, year = {2020}, abstract = {The Earth's inner magnetosphere is a very dynamic system, mostly driven by the external solar wind forcing exerted upon the magnetic field of our planet. Disturbances in the solar wind, such as coronal mass ejections and co-rotating interaction regions, cause geomagnetic storms, which lead to prominent changes in charged particle populations of the inner magnetosphere - the plasmasphere, ring current, and radiation belts. Satellites operating in the regions of elevated energetic and relativistic electron fluxes can be damaged by deep dielectric or surface charging during severe space weather events. Predicting the dynamics of the charged particles and mitigating their effects on the infrastructure is of particular importance, due to our increasing reliance on space technologies. The dynamics of particles in the plasmasphere, ring current, and radiation belts are strongly coupled by means of collisions and collisionless interactions with electromagnetic fields induced by the motion of charged particles. Multidimensional numerical models simplify the treatment of transport, acceleration, and loss processes of these particles, and allow us to predict how the near-Earth space environment responds to solar storms. The models inevitably rely on a number of simplifications and assumptions that affect model accuracy and complicate the interpretation of the results. In this dissertation, we quantify the processes that control electron dynamics in the inner magnetosphere, paying particular attention to the uncertainties of the employed numerical codes and tools. We use a set of convenient analytical solutions for advection and diffusion equations to test the accuracy and stability of the four-dimensional Versatile Electron Radiation Belt (VERB-4D) code. We show that numerical schemes implemented in the code converge to the analytical solutions and that the VERB-4D code demonstrates stable behavior independent of the assumed time step. The order of the numerical scheme for the convection equation is demonstrated to affect results of ring current and radiation belt simulations, and it is crucially important to use high-order numerical schemes to decrease numerical errors in the model. Using the thoroughly tested VERB-4D code, we model the dynamics of the ring current electrons during the 17 March 2013 storm. The discrepancies between the model and observations above 4.5 Earth's radii can be explained by uncertainties in the outer boundary conditions. Simulation results indicate that the electrons were transported from the geostationary orbit towards the Earth by the global-scale electric and magnetic fields. We investigate how simulation results depend on the input models and parameters. The model is shown to be particularly sensitive to the global electric field and electron lifetimes below 4.5 Earth's radii. The effects of radial diffusion and subauroral polarization streams are also quantified. We developed a data-assimilative code that blends together a convection model of energetic electron transport and loss and Van Allen Probes satellite data by means of the Kalman filter. We show that the Kalman filter can correct model uncertainties in the convection electric field, electron lifetimes, and boundary conditions. It is also demonstrated how the innovation vector - the difference between observations and model prediction - can be used to identify physical processes missing in the model of energetic electron dynamics. We computed radial profiles of phase space density of ultrarelativistic electrons, using Van Allen Probes measurements. We analyze the shape of the profiles during geomagnetically quiet and disturbed times and show that the formation of new local minimums in the radial profiles coincides with the ground observations of electromagnetic ion-cyclotron (EMIC) waves. This correlation indicates that EMIC waves are responsible for the loss of ultrarelativistic electrons from the heart of the outer radiation belt into the Earth's atmosphere.}, language = {en} } @phdthesis{Brugger2021, author = {Brugger, Julia}, title = {Modeling changes in climate during past mass extinctions}, doi = {10.25932/publishup-53246}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-532468}, school = {Universit{\"a}t Potsdam}, pages = {V, 217}, year = {2021}, abstract = {The evolution of life on Earth has been driven by disturbances of different types and magnitudes over the 4.6 million years of Earth's history (Raup, 1994, Alroy, 2008). One example for such disturbances are mass extinctions which are characterized by an exceptional increase in the extinction rate affecting a great number of taxa in a short interval of geologic time (Sepkoski, 1986). During the 541 million years of the Phanerozoic, life on Earth suffered five exceptionally severe mass extinctions named the "Big Five Extinctions". Many mass extinctions are linked to changes in climate (Feulner, 2009). Hence, the study of past mass extinctions is not only intriguing, but can also provide insights into the complex nature of the Earth system. This thesis aims at deepening our understanding of the triggers of mass extinctions and how they affected life. To accomplish this, I investigate changes in climate during two of the Big Five extinctions using a coupled climate model. During the Devonian (419.2-358.9 million years ago) the first vascular plants and vertebrates evolved on land while extinction events occurred in the ocean (Algeo et al., 1995). The causes of these formative changes, their interactions and their links to changes in climate are still poorly understood. Therefore, we explore the sensitivity of the Devonian climate to various boundary conditions using an intermediate-complexity climate model (Brugger et al., 2019). In contrast to Le Hir et al. (2011), we find only a minor biogeophysical effect of changes in vegetation cover due to unrealistically high soil albedo values used in the earlier study. In addition, our results cannot support the strong influence of orbital parameters on the Devonian climate, as simulated with a climate model with a strongly simplified ocean model (De Vleeschouwer et al., 2013, 2014, 2017). We can only reproduce the changes in Devonian climate suggested by proxy data by decreasing atmospheric CO2. Still, finding agreement between the evolution of sea surface temperatures reconstructed from proxy data (Joachimski et al., 2009) and our simulations remains challenging and suggests a lower δ18O ratio of Devonian seawater. Furthermore, our study of the sensitivity of the Devonian climate reveals a prevailing mode of climate variability on a timescale of decades to centuries. The quasi-periodic ocean temperature fluctuations are linked to a physical mechanism of changing sea-ice cover, ocean convection and overturning in high northern latitudes. In the second study of this thesis (Dahl et al., under review) a new reconstruction of atmospheric CO2 for the Devonian, which is based on CO2-sensitive carbon isotope fractionation in the earliest vascular plant fossils, suggests a much earlier drop of atmo- spheric CO2 concentration than previously reconstructed, followed by nearly constant CO2 concentrations during the Middle and Late Devonian. Our simulations for the Early Devonian with identical boundary conditions as in our Devonian sensitivity study (Brugger et al., 2019), but with a low atmospheric CO2 concentration of 500 ppm, show no direct conflict with available proxy and paleobotanical data and confirm that under the simulated climatic conditions carbon isotope fractionation represents a robust proxy for atmospheric CO2. To explain the earlier CO2 drop we suggest that early forms of vascular land plants have already strongly influenced weathering. This new perspective on the Devonian questions previous ideas about the climatic conditions and earlier explanations for the Devonian mass extinctions. The second mass extinction investigated in this thesis is the end-Cretaceous mass extinction (66 million years ago) which differs from the Devonian mass extinctions in terms of the processes involved and the timescale on which the extinctions occurred. In the two studies presented here (Brugger et al., 2017, 2021), we model the climatic effects of the Chicxulub impact, one of the proposed causes of the end-Cretaceous extinction, for the first millennium after the impact. The light-dimming effect of stratospheric sulfate aerosols causes severe cooling, with a decrease of global annual mean surface air temperature of at least 26◦C and a recovery to pre-impact temperatures after more than 30 years. The sudden surface cooling of the ocean induces deep convection which brings nutrients from the deep ocean via upwelling to the surface ocean. Using an ocean biogeochemistry model we explore the combined effect of ocean mixing and iron-rich dust originating from the impactor on the marine biosphere. As soon as light levels have recovered, we find a short, but prominent peak in marine net primary productivity. This newly discovered mechanism could result in toxic effects for marine near-surface ecosystems. Comparison of our model results to proxy data (Vellekoop et al., 2014, 2016, Hull et al., 2020) suggests that carbon release from the terrestrial biosphere is required in addition to the carbon dioxide which can be attributed to the target material. Surface ocean acidification caused by the addition of carbon dioxide and sulfur is only moderate. Taken together, the results indicate a significant contribution of the Chicxulub impact to the end-Cretaceous mass extinction by triggering multiple stressors for the Earth system. Although the sixth extinction we face today is characterized by human intervention in nature, this thesis shows that we can gain many insights into future extinctions from studying past mass extinctions, such as the importance of the rate of change (Rothman, 2017), the interplay of multiple stressors (Gunderson et al., 2016), and changes in the carbon cycle (Rothman, 2017, Tierney et al., 2020).}, language = {en} } @phdthesis{Rikani2023, author = {Rikani, Albano}, title = {Modeling global human migration dynamics under climate change}, doi = {10.25932/publishup-58321}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-583212}, school = {Universit{\"a}t Potsdam}, pages = {x, 133}, year = {2023}, abstract = {International migration has been an increasing phenomenon during the past decades and has involved all the regions of the globe. Together with fertility and mortality rates, net migration rates represent the components that fully define the demographic evolution of the population in a country. Therefore, being able to capture the patterns of international migration flows and to produce projections of how they might change in the future is of relevant importance for demographic studies and for designing policies informed on the potential scenarios. Existing forecasting methods do not account explicitly for the main drivers and processes shaping international migration flows: existing migrant communities at the destination country, termed diasporas, would reduce the costs of migration and facilitate the settling for new migrants, ultimately producing a positive feedback; accounting for the heterogeneity in the type of migration flows, e.g. return and transit Ćows, becomes critical in some specific bilateral migration channels; in low- to middle- income countries economic development could relax poverty constraint and result in an increase of emigration rates. Economic conditions at both origin and destination are identified as major drivers of international migration. At the same time, climate change impacts have already appeared on natural and human-made systems such as the economic productivity. These economic impacts might have already produced a measurable effect on international migration flows. Studies that provide a quantification of the number of migration moves that might have been affected by climate change are usually specific to small regions, do not provide a mechanistic understanding of the pathway leading from climate change to migration and restrict their focus to the effective induced flows, disregarding the impact that climate change might have had in inhibiting other flows. Global climate change is likely to produce impacts on the economic development of the countries during the next decades too. Understanding how these impacts might alter future global migration patterns is relevant for preparing future societies and understanding whether the response in migration flows would reduce or increase population's exposure to climate change impacts. This doctoral research aims at investigating these questions and fill the research gaps outlined above. First, I have built a global bilateral international migration model which accounts explicitly for the diaspora feedback, distinguishes between transit and return flows, and accounts for the observed non-linear effects that link emigration rates to income levels in the country of origin. I have used this migration model within a population dynamic model where I account also for fertility and mortality rates, producing hindcasts and future projections of international migration flows, covering more than 170 countries. Results show that the model reproduces past patterns and trends well. Future projections highlight the fact that,depending on the assumptions regarding future evolution of income levels and between-country inequality, migration at the end of the century might approach net zero or be still high in many countries. The model, parsimonious in the explanatory variables that includes, represents a versatile tool for assessing the impacts of different socioeconomic scenarios on international migration. I consider then a counterfactual past without climate change impacts on the economic productivity. By prescribing these counterfactual economic conditions to the migration model I produce counterfactual migration flows for the past 30 years. I compare the counterfactual migration flows to factual ones, where historical economic conditions are used to produce migration flows. This provides an estimation of the recent international migration flows attributed to climate change impacts. Results show that a counterfactual world without climate change would have seen less migration globally. This effect becomes larger if I consider separately the increase and decrease in migration moves: a Ągure of net change in the migration flows is not representative of the effective magnitude of the climate change impact on migration. Indeed, in my results climate change produces a divergent effect on richer and poorer countries: by slowing down the economic development, climate change might have reduced international mobility from and to countries of the Global South, and increased it from and to richer countries in the Global North. I apply the same methodology to a scenario of future 3℃ global warming above pre-industrial conditions. I Ąnd that climate change impacts, acting by reorganizing the relative economic attractiveness of destination countries or by affecting the economic growth in the origin, might produce a substantial effect in international migration flows, inhibiting some moves and inducing others. Overall my results suggest that climate change might have had and might have in the future a significant effect on global patterns of international migration. It also emerges clearly that, for a comprehensive understanding of the effects of climate change on international migration, we need to go beyond net effects and consider separately induced and inhibited flows.}, language = {en} } @phdthesis{Zickfeld2003, author = {Zickfeld, Kirsten}, title = {Modeling large-scale singular climate events for integrated assessment}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001176}, school = {Universit{\"a}t Potsdam}, year = {2003}, abstract = {Erkenntnisse aus pal{\"a}oklimatologischen Studien, theoretischen Betrachtungen und Modellsimulationen deuten darauf hin, dass anthropogene Emissionen von Treibhausgasen und Aerosolen zu großskaligen, singul{\"a}ren Klimaereignissen f{\"u}hren k{\"o}nnten. Diese bezeichnen stark nichtlineare, abrupte Klima{\"a}nderungen, mit regionalen bis hin zu globalen Auswirkungen. Ziel dieser Arbeit ist die Entwicklung von Modellen zweier maßgeblicher Komponenten des Klimasystems, die singul{\"a}res Verhalten aufweisen k{\"o}nnten: die atlantische thermohaline Zirkulation (THC) und der indische Monsun. Diese Modelle sind so konzipiert, dass sie den Anforderungen der "Integrated Assessment"-Modellierung gen{\"u}gen, d.h., sie sind realistisch, recheneffizient, transparent und flexibel. Das THC-Modell ist ein einfaches, interhemisph{\"a}risches Boxmodell, das anhand von Daten kalibriert wird, die mit einem gekoppelten Klimamodell mittlerer Komplexit{\"a}t erzeugt wurden. Das Modell wird durch die globale Mitteltemperatur angetrieben, die mit Hilfe eines linearen Downscaling-Verfahrens in regionale W{\"a}rme- und S{\"u}ßwasserfl{\"u}sse {\"u}bersetzt wird. Die Ergebnisse einer Vielzahl von zeitabh{\"a}ngigen Simulationen zeigen, dass das Modell in der Lage ist, maßgebliche Eigenschaften des Verhaltens komplexer Klimamodelle wiederzugeben, wie die Sensitivit{\"a}t bez{\"u}glich des Ausmaßes, der regionalen Verteilung und der Rate der Klima{\"a}nderung. Der indische Monsun wird anhand eines neuartigen eindimensionalen Boxmodells der tropischen Atmosph{\"a}re beschrieben. Dieses enth{\"a}lt Parmetrisierungen der Oberfl{\"a}chen- und Strahlungsfl{\"u}sse, des hydrologischen Kreislaufs und derHydrologie der Landoberfl{\"a}che. Trotz des hohen Idealisierungsgrades ist das Modell in der Lage, relevante Aspekte der beobachteten Monsundynamik, wie z.B. den Jahresgang des Niederschlags und das Eintritts- sowie R{\"u}ckzugsdatum des Sommermonsuns, zufrieden stellend zu simulieren. Außerdem erfasst das Modell die Sensitivit{\"a}tdes Monsuns bez{\"u}glich {\"A}nderungen der Treibhausgas- und Aerosolkonzentrationen, die aus komplexeren Modellen bekannt sind. Eine vereinfachte Version des Monsunmodells wird f{\"u}r die Untersuchung des qualitativen Systemverhaltens in Abh{\"a}ngigkeit von {\"A}nderungen der Randbedingungen eingesetzt. Das bemerkenswerteste Ergebnis ist das Auftreten einer Sattelknotenbifurkation des Sommermonsuns f{\"u}r kritische Werte der Albedo oder der Sonneneinstrahlung. Dar{\"u}ber hinaus weist das Modell zwei stabile Zust{\"a}nde auf: neben dem niederschlagsreichen Sommermonsun besteht ein Zustand, der sich durch einen schwachen hydrologischen Kreislauf auszeichnet. Das Beachtliche an diesen Ergebnissen ist, dass anthropogene St{\"o}rungen der plantetaren Albedo, wie Schwefelemissionen und/oder Landnutzungs{\"a}nderungen, zu einer Destabilisierung des indischen Monsuns f{\"u}hren k{\"o}nnten. Das THC-Boxmodell findet exemplarische Anwendung in einem "Integrated Assessment" von Klimaschutzstrategien. Basierend auf dem konzeptionellen und methodischen Ger{\"u}st des Leitplankenansatzes werden Emissionskorridore (d.h. zul{\"a}ssige Spannen an CO2-Emissionen) berechnet, die das Risiko eines THC-Zusammenbruchs begrenzen sowie sozio{\"o}konomische Randbedingungen ber{\"u}cksichtigen. Die Ergebnisse zeigen u.a. eine starke Abh{\"a}ngigkeit der Breite der Emissionskorridore von der Klima- und hydrologischen Sensitivit{\"a}t. F{\"u}r kleine Werte einer oder beider Sensitivit{\"a}ten liegt der obere Korridorrand bei weit h{\"o}heren Emissionswerten als jene, die von plausiblen Emissionsszenarien f{\"u}r das 21. Jahrhundert erreicht werden. F{\"u}r große Werte der Sensitivit{\"a}ten hingegen, verlassen schon niedrige Emissionsszenarien den Korridor in den fr{\"u}hen Jahrzehnten des 21. Jahrhunderts. Dies impliziert eine Abkehr von den gegenw{\"a}rtigen Emissionstrends innherhalb der kommenden Jahrzehnte, wenn das Risko eines THC Zusammenbruchs gering gehalten werden soll. Anhand einer Vielzahl von Anwendungen - von Sensitivit{\"a}ts- {\"u}ber Bifurkationsanalysen hin zu integrierter Modellierung - zeigt diese Arbeit den Wert reduzierter Modelle auf. Die Ergebnisse und die daraus zu ziehenden Schlussfolgerungen liefern einen wertvollen Beitrag zu der wissenschaftlichen und politischen Diskussion bez{\"u}glich der Folgen des anthropogenen Klimawandels und der langfristigen Klimaschutzziele.}, language = {en} } @phdthesis{Zeitz2022, author = {Zeitz, Maria}, title = {Modeling the future resilience of the Greenland Ice Sheet}, doi = {10.25932/publishup-56883}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-568839}, school = {Universit{\"a}t Potsdam}, pages = {x, 189}, year = {2022}, abstract = {The Greenland Ice Sheet is the second-largest mass of ice on Earth. Being almost 2000 km long, more than 700 km wide, and more than 3 km thick at the summit, it holds enough ice to raise global sea levels by 7m if melted completely. Despite its massive size, it is particularly vulnerable to anthropogenic climate change: temperatures over the Greenland Ice Sheet have increased by more than 2.7◦C in the past 30 years, twice as much as the global mean temperature. Consequently, the ice sheet has been significantly losing mass since the 1980s and the rate of loss has increased sixfold since then. Moreover, it is one of the potential tipping elements of the Earth System, which might undergo irreversible change once a warming threshold is exceeded. This thesis aims at extending the understanding of the resilience of the Greenland Ice Sheet against global warming by analyzing processes and feedbacks relevant to its centennial to multi-millennial stability using ice sheet modeling. One of these feedbacks, the melt-elevation-feedback is driven by the temperature rise with decreasing altitudes: As the ice sheet melts, its thickness and surface elevation decrease, exposing the ice surface to warmer air and thus increasing the melt rates even further. The glacial isostatic adjustment (GIA) can partly mitigate this melt-elevation feedback as the bedrock lifts in response to an ice load decrease, forming the negative GIA feedback. In my thesis, I show that the interaction between these two competing feedbacks can lead to qualitatively different dynamical responses of the Greenland Ice Sheet to warming - from permanent loss to incomplete recovery, depending on the feedback parameters. My research shows that the interaction of those feedbacks can initiate self-sustained oscillations of the ice volume while the climate forcing remains constant. Furthermore, the increased surface melt changes the optical properties of the snow or ice surface, e.g. by lowering their albedo, which in turn enhances melt rates - a process known as the melt-albedo feedback. Process-based ice sheet models often neglect this melt-albedo feedback. To close this gap, I implemented a simplified version of the diurnal Energy Balance Model, a computationally efficient approach that can capture the first-order effects of the melt-albedo feedback, into the Parallel Ice Sheet Model (PISM). Using the coupled model, I show in warming experiments that the melt-albedo feedback almost doubles the ice loss until the year 2300 under the low greenhouse gas emission scenario RCP2.6, compared to simulations where the melt-albedo feedback is neglected, and adds up to 58\% additional ice loss under the high emission scenario RCP8.5. Moreover, I find that the melt-albedo feedback dominates the ice loss until 2300, compared to the melt-elevation feedback. Another process that could influence the resilience of the Greenland Ice Sheet is the warming induced softening of the ice and the resulting increase in flow. In my thesis, I show with PISM how the uncertainty in Glen's flow law impacts the simulated response to warming. In a flow line setup at fixed climatic mass balance, the uncertainty in flow parameters leads to a range of ice loss comparable to the range caused by different warming levels. While I focus on fundamental processes, feedbacks, and their interactions in the first three projects of my thesis, I also explore the impact of specific climate scenarios on the sea level rise contribution of the Greenland Ice Sheet. To increase the carbon budget flexibility, some warming scenarios - while still staying within the limits of the Paris Agreement - include a temporal overshoot of global warming. I show that an overshoot by 0.4◦C increases the short-term and long-term ice loss from Greenland by several centimeters. The long-term increase is driven by the warming at high latitudes, which persists even when global warming is reversed. This leads to a substantial long-term commitment of the sea level rise contribution from the Greenland Ice Sheet. Overall, in my thesis I show that the melt-albedo feedback is most relevant for the ice loss of the Greenland Ice Sheet on centennial timescales. In contrast, the melt-elevation feedback and its interplay with the GIA feedback become increasingly relevant on millennial timescales. All of these influence the resilience of the Greenland Ice Sheet against global warming, in the near future and on the long term.}, language = {en} } @phdthesis{Griesel2005, author = {Griesel, Alexa}, title = {Modelling large scale ocean circulation : the role of mixing location and meridional pressure gradients for the Atlantic overturning dynamics}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-2609}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {Due to its relevance for global climate, the realistic representation of the Atlantic meridional overturning circulation (AMOC) in ocean models is a key task. In recent years, two paradigms have evolved around what are its driving mechanisms: diapycnal mixing and Southern Ocean winds. This work aims at clarifying what sets the strength of the Atlantic overturning components in an ocean general circulation model and discusses the role of spatially inhomogeneous mixing, numerical diffusion and winds. Furthermore, the relation of the AMOC with a key quantity, the meridional pressure difference is analyzed. Due to the application of a very low diffusive tracer advection scheme, a realistic Atlantic overturning circulation can be obtained that is purely wind driven. On top of the winddriven circulation, changes of density gradients are caused by increasing the parameterized eddy diffusion in the North Atlantic and Southern Ocean. The linear relation between the maximum of the Atlantic overturning and the meridional pressure difference found in previous studies is confirmed and it is shown to be due to one significant pressure gradient between the average pressure over high latitude deep water formation regions and a relatively uniform pressure between 30°N and 30°S, which can directly be related to a zonal flow through geostrophy. Under constant Southern Ocean windstress forcing, a South Atlantic outflow in the range of 6-16 Sv is obtained for a large variety of experiments. Overall, the circulation is winddriven but its strength not uniquely determined by the Southern Ocean windstress. The scaling of the Atlantic overturning components is linear with the background vertical diffusivity, not confirming the 2/3 power law for one-hemisphere models without wind forcing. The pycnocline depth is constant in the coarse resolution model with large vertical grid extends. It suggests the ocean model operates like the Stommel box model with a linear relation of the pressure difference and fixed vertical scale for the volume transport. However, this seems only valid for vertical diffusivities smaller 0.4 cm²/s, when the dominant upwelling within the Atlantic occurs along the boundaries. For larger vertical diffusivities, a significant amount of interior upwelling occurs. It is further shown that any localized vertical mixing in the deep to bottom ocean cannot drive an Atlantic overturning. However, enhanced boundary mixing at thermocline depths is potentially important. The numerical diffusion is shown to have a large impact on the representation of the Atlantic overturning in the model. While the horizontal numerical diffusion tends to destabilize the Atlantic overturning the verital numerical diffusion denotes an amplifying mechanism.}, subject = {Thermohaline Zirkulation}, language = {en} } @phdthesis{Das2023, author = {Das, Samata}, title = {Modelling particle acceleration in core-collapse supernova remnants inside circumstellar wind-blown bubbles}, doi = {10.25932/publishup-61414}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-614140}, school = {Universit{\"a}t Potsdam}, pages = {142}, year = {2023}, abstract = {Supernova remnants are considered to be the primary sources of galactic cosmic rays. These cosmic rays are assumed to be accelerated by the diffusive shock acceleration mechanism, specifically at shocks in the remnants. Particularly in the core-collapse scenario, these supernova remnant shocks expand inside the wind-blown bubbles structured by massive progenitors during their lifetime. Therefore, the complex environment of wind bubbles can influence the particle acceleration and radiation from the remnants. Further, the evolution of massive stars depends on their Zero Age Main Sequence mass, rotation, and metallicity. Consequently, the structures of the wind bubbles generated during the lifetime of massive stars should be considerably different. Hence, the particle acceleration in the core-collapse supernova remnants should vary, not only from the remnants evolving in the uniform environment but also from one another, depending on their progenitor stars. A core-collapse supernova remnant with a very massive 60 𝑀 ⊙ progenitor star has been considered to study the particle acceleration at the shock considering Bohm-like diffusion. This dissertation demonstrates the modification in particle acceleration and radiation while the remnant propagates through different regions of the wind bubble by impacts from the profiles of gas density, the temperature of the bubble and the magnetic field structure. Subsequently, in this thesis, I discuss the impacts of the non-identical ambient environment of core-collapse supernova remnants on particle spectra and the non-thermal emissions, considering 20 𝑀 ⊙ and 60 𝑀⊙ massive progenitors having different evolutionary tracks. Additionally, I also analyse the effect of cosmic ray streaming instabilities on particle spectra. To model the particle acceleration in the remnants, I have performed simulations in one-dimensional spherical symmetry using RATPaC code. The transport equation for cosmic rays and magnetic turbulence in test-particle approximation, along with the induction equation for the evolution of the large-scale magnetic field, have been solved simultaneously with the hydrodynamic equations for the expansion of remnants inside the pre-supernova circumstellar medium. The results from simulations describe that the spectra of accelerated particles in supernova remnants are regulated by density fluctuations, temperature variations, the large-scale magnetic field configuration and scattering turbulence. Although the diffusive shock acceleration mechanism at supernova remnant shock predicts the spectral index of 2 for the accelerated non-thermal particles, I have obtained the particle spectra that deviate from this prediction, in the core-collapse scenario. I have found that the particle spectral index reaches 2.5 for the supernova remnant with 60 𝑀 ⊙ progenitor when the remnant resides inside the shocked wind region of the wind bubble, and this softness persists at later evolutionary stages even with Bohm-like diffusion for accelerated particles. However, the supernova remnant with 20 𝑀 ⊙ progenitor does not demonstrate persistent softness in particle spectra from the influence of the hydrodynamics of the corresponding wind bubble. At later stages of evolution, the particle spectra illustrate softness at higher energies for both remnants as the consequence of the escape of high-energy particles from the remnants while considering the cosmic ray streaming instabilities. Finally, I have probed the emission morphology of remnants that varies depending on the progenitors, particularly in earlier evolutionary stages. This dissertation provides insight into different core-collapse remnants expanding inside wind bubbles, for instance, the calculated gamma-ray spectral index from the supernova remnant with 60 𝑀 ⊙ progenitor at later evolutionary stages is consistent with that of the observed supernova remnants expanding in dense molecular clouds.}, language = {en} } @phdthesis{Steppa2022, author = {Steppa, Constantin Beverly}, title = {Modelling the galactic population of very-high-energy gamma-ray sources}, doi = {10.25932/publishup-54947}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-549478}, school = {Universit{\"a}t Potsdam}, pages = {106}, year = {2022}, abstract = {The current generation of ground-based instruments has rapidly extended the limits of the range accessible to us with very-high-energy (VHE) gamma-rays, and more than a hundred sources have now been detected in the Milky Way. These sources represent only the tip of the iceberg, but their number has reached a level that allows population studies. In this work, a model of the global population of VHE gamma-ray sources based on the most comprehensive census of Galactic sources in this energy regime, the H.E.S.S. Galactic plane survey (HGPS), will be presented. A population synthesis approach was followed in the construction of the model. Particular attention was paid to correcting for the strong observational bias inherent in the sample of detected sources. The methods developed for estimating the model parameters have been validated with extensive Monte Carlo simulations and will be shown to provide unbiased estimates of the model parameters. With these methods, five models for different spatial distributions of sources have been constructed. To test the validity of these models, their predictions for the composition of sources within the sensitivity range of the HGPS are compared with the observed sample. With one exception, similar results are obtained for all spatial distributions, showing that the observed longitude profile and the source distribution over photon flux are in fair agreement with observation. Regarding the latitude profile and the source distribution over angular extent, it becomes apparent that the model needs to be further adjusted to bring its predictions in agreement with observation. Based on the model, predictions of the global properties of the Galactic population of VHE gamma-ray sources and the prospects of the Cherenkov Telescope Array (CTA) will be presented. CTA will significantly increase our knowledge of VHE gamma-ray sources by lowering the threshold for source detection, primarily through a larger detection area compared to current-generation instruments. In ground-based gamma-ray astronomy, the sensitivity of an instrument depends strongly, in addition to the detection area, on the ability to distinguish images of air showers produced by gamma-rays from those produced by cosmic rays, which are a strong background. This means that the number of detectable sources depends on the background rejection algorithm used and therefore may also be increased by improving the performance of such algorithms. In this context, in addition to the population model, this work presents a study on the application of deep-learning techniques to the task of gamma-hadron separation in the analysis of data from ground-based gamma-ray instruments. Based on a systematic survey of different neural-network architectures, it is shown that robust classifiers can be constructed with competitive performance compared to the best existing algorithms. Despite the broad coverage of neural-network architectures discussed, only part of the potential offered by the application of deep-learning techniques to the analysis of gamma-ray data is exploited in the context of this study. Nevertheless, it provides an important basis for further research on this topic.}, language = {en} } @phdthesis{NarayananNair2006, author = {Narayanan Nair, Arun Kumar}, title = {Molecular dynamics simulations of polyelectrolyte brushes}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-7005}, school = {Universit{\"a}t Potsdam}, year = {2006}, abstract = {This thesis studies strong, completely charged polyelectrolyte brushes. Extensive molecular dynamics simulations are performed on different polyelectrolyte brush systems using local compute servers and massively parallel supercomputers. The full Coulomb interaction of charged monomers, counterions, and salt ions is treated explicitly. The polymer chains are anchored by one of their ends to a uncharged planar surface. The chains are treated under good solvent conditions. Monovalent salt ions (1:1 type) are modelled same as counterions. The studies concentrate on three different brush systems at constant temperature and moderate Coulomb interaction strength (Bjerrum length equal to bond length): The first system consists of a single polyelectrolyte brush anchored with varying grafting density to a plane. Results show that chains are extended up to about 2/3 of their contour length. The brush thickness slightly grows with increasing anchoring density. This slight dependence of the brush height on grafting density is in contrast to the well known scaling result for the osmotic brush regime. That is why the result obtained by simulations has stimulated further development of theory as well as new experimental investigations on polyelectrolyte brushes. This observation can be understood on a semi-quantitative level using a simple scaling model that incorporates excluded volume effects in a free-volume formulation where an effective cross section is assigned to the polymer chain from where couterions are excluded. The resulting regime is called nonlinear osmotic brush regime. Recently this regime was also obtained in experiments. The second system studied consists of polyelectrolyte brushes with added salt in the nonlinear osmotic regime. Varying salt is an important parameter to tune the structure and properties of polyelectrolytes. Further motivation is due to a theoretical scaling prediction by Pincus for the salt dependence of brush thickness. In the high salt limit (salt concentration much larger than counterion concentration) the brush height is predicted to decrease with increasing external salt, but with a relatively weak power law showing an exponent -1/3. There is some experimental and theoretical work that confirms this prediction, but there are other results that are in contradiction. In such a situation simulations are performed to validate the theoretical prediction. The simulation result shows that brush thickness decreases with added salt, and indeed is in quite good agreement with the scaling prediction by Pincus. The relation between buffer concentration and the effective ion strength inside the brush at varying salt concentration is of interest both from theoretical as well as experimental point of view. The simulation result shows that mobile ions (counterions as well as salt) distribute nonhomogeneously inside and outside of the brush. To explain the relation between the internal ion concentration with the buffer concentration a Donnan equilibrium approach is employed. Modifying the Donnan approach by taking into account the self-volume of polyelectrolyte chains as indicated above, the simulation result can be explained using the same effective cross section for the polymer chains. The extended Donnan equilibrium relation represents a interesting theoretical prediction that should be checked by experimental data. The third system consist of two interacting polyelectrolyte brushes that are grafted to two parallel surfaces. The interactions between brushes are important, for instance, in stabilization of dispersions against flocculation. In the simulations pressure is evaluated as a function of separation D between the two grafting planes. The pressure behavior shows different regimes for decreasing separation. This behavior is in qualitative agreement with experimental data. At relatively weak compression the pressure behavior obtained in the simulation agrees with a 1/D power law predicted by scaling theory. Beyond that the present study could supply new insight for understanding the interaction between polyelectrolyte brushes.}, subject = {Molekulardynamik}, language = {en} } @phdthesis{Christ2020, author = {Christ, Simon}, title = {Morphological transitions of vesicles exposed to nonuniform spatio-temporal conditions}, doi = {10.25932/publishup-48078}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-480788}, school = {Universit{\"a}t Potsdam}, pages = {viii, 105}, year = {2020}, abstract = {Giant unilamellar vesicles are an important tool in todays experimental efforts to understand the structure and behaviour of biological cells. Their simple structure allows the isolation of the physical elastic properties of the lipid membrane. A central physical property is the bending energy of the membrane, since the many different shapes of giant vesicles can be obtained by finding the minimum of the bending energy. In the spontaneous curvature model the bending energy is a function of the bending rigidity as well as the mean curvature and an additional parameter called the spontaneous curvature, which describes an internal preference of the lipid-bilayer to bend towards one side or the other. The spontaneous and mean curvature are local properties of the membrane. Additional constraints arise from the conservation of the membrane surface area and the enclosed volume, which are global properties. In this thesis the spontaneous curvature model is used to explain the experimental observation of a periodic shape oscillation of a giant unilamellar vesicle that was filled with a protein complex that periodically binds to and unbinds from the membrane. By assuming that the binding of the proteins to the membrane induces a change in the spontaneous curvature the experimentally observed shapes could successfully be explained. This involves the numerical solution of the differential equations as obtained from the minimization of the bending energy respecting the area and volume constraints, the so called shape equations. Vice versa this approach can be used to estimate the spontaneous curvature from experimentally measurable quantities. The second topic of this thesis is the analysis of concentration gradients in rigid conic membrane compartments. Gradients of an ideal gas due to gravity and gradients generated by the directed stochastic movement of molecular motors along a microtubulus were considered. It was possible to calculate the free energy and the bending energy analytically for the ideal gas. In the case of the non-equilibrium system with molecular motors, the characteristic length of the density profile, the jam-length, and its dependency on the opening angle of the conic compartment have been calculated in the mean-field limit. The mean field results agree qualitatively with stochastic particle simulations.}, language = {en} } @phdthesis{Pingel2013, author = {Pingel, Patrick}, title = {Morphology, charge transport properties, and molecular doping of thiophene-based organic semiconducting thin films}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-69805}, school = {Universit{\"a}t Potsdam}, year = {2013}, abstract = {Organic semiconductors combine the benefits of organic materials, i.e., low-cost production, mechanical flexibility, lightweight, and robustness, with the fundamental semiconductor properties light absorption, emission, and electrical conductivity. This class of material has several advantages over conventional inorganic semiconductors that have led, for instance, to the commercialization of organic light-emitting diodes which can nowadays be found in the displays of TVs and smartphones. Moreover, organic semiconductors will possibly lead to new electronic applications which rely on the unique mechanical and electrical properties of these materials. In order to push the development and the success of organic semiconductors forward, it is essential to understand the fundamental processes in these materials. This thesis concentrates on understanding how the charge transport in thiophene-based semiconductor layers depends on the layer morphology and how the charge transport properties can be intentionally modified by doping these layers with a strong electron acceptor. By means of optical spectroscopy, the layer morphologies of poly(3-hexylthiophene), P3HT, P3HT-fullerene bulk heterojunction blends, and oligomeric polyquaterthiophene, oligo-PQT-12, are studied as a function of temperature, molecular weight, and processing conditions. The analyses rely on the decomposition of the absorption contributions from the ordered and the disordered parts of the layers. The ordered-phase spectra are analyzed using Spano's model. It is figured out that the fraction of aggregated chains and the interconnectivity of these domains is fundamental to a high charge carrier mobility. In P3HT layers, such structures can be grown with high-molecular weight, long P3HT chains. Low and medium molecular weight P3HT layers do also contain a significant amount of chain aggregates with high intragrain mobility; however, intergranular connectivity and, therefore, efficient macroscopic charge transport are absent. In P3HT-fullerene blend layers, a highly crystalline morphology that favors the hole transport and the solar cell efficiency can be induced by annealing procedures and the choice of a high-boiling point processing solvent. Based on scanning near-field and polarization optical microscopy, the morphology of oligo-PQT-12 layers is found to be highly crystalline which explains the rather high field-effect mobility in this material as compared to low molecular weight polythiophene fractions. On the other hand, crystalline dislocations and grain boundaries are identified which clearly limit the charge carrier mobility in oligo-PQT-12 layers. The charge transport properties of organic semiconductors can be widely tuned by molecular doping. Indeed, molecular doping is a key to highly efficient organic light-emitting diodes and solar cells. Despite this vital role, it is still not understood how mobile charge carriers are induced into the bulk semiconductor upon the doping process. This thesis contains a detailed study of the doping mechanism and the electrical properties of P3HT layers which have been p-doped by the strong molecular acceptor tetrafluorotetracyanoquinodimethane, F4TCNQ. The density of doping-induced mobile holes, their mobility, and the electrical conductivity are characterized in a broad range of acceptor concentrations. A long-standing debate on the nature of the charge transfer between P3HT and F4TCNQ is resolved by showing that almost every F4TCNQ acceptor undergoes a full-electron charge transfer with a P3HT site. However, only 5\% of these charge transfer pairs can dissociate and induce a mobile hole into P3HT which contributes electrical conduction. Moreover, it is shown that the left-behind F4TCNQ ions broaden the density-of-states distribution for the doping-induced mobile holes, which is due to the longrange Coulomb attraction in the low-permittivity organic semiconductors.}, language = {en} } @phdthesis{Klumpp2003, author = {Klumpp, Stefan}, title = {Movements of molecular motors : diffusion and directed walks}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0000806}, school = {Universit{\"a}t Potsdam}, year = {2003}, abstract = {Bewegungen von prozessiven molekularen Motoren des Zytoskeletts sind durch ein Wechselspiel von gerichteter Bewegung entlang von Filamenten und Diffusion in der umgebenden L{\"o}sung gekennzeichnet. Diese eigent{\"u}mlichen Bewegungen werden in der vorliegenden Arbeit untersucht, indem sie als Random Walks auf einem Gitter modelliert werden. Ein weiterer Gegenstand der Untersuchung sind Effekte von Wechselwirkungen zwischen den Motoren auf diese Bewegungen. Im einzelnen werden vier Transportph{\"a}nomene untersucht: (i) Random Walks von einzelnen Motoren in Kompartimenten verschiedener Geometrien, (ii) station{\"a}re Konzentrationsprofile, die sich in geschlossenen Kompartimenten infolge dieser Bewegungen einstellen, (iii) randinduzierte Phasen{\"u}berg{\"a}nge in offenen r{\"o}hrenartigen Kompartimenten, die an Motorenreservoirs gekoppelt sind, und (iv) der Einfluß von kooperativen Effekten bei der Motor-Filament-Bindung auf die Bewegung. Alle diese Ph{\"a}nomene sind experimentell zug{\"a}nglich, und m{\"o}gliche experimentelle Realisierungen werden diskutiert.}, language = {en} } @phdthesis{Wagle2019, author = {Wagle, Swapnil}, title = {Multi scale modeling of SNARE-mimetic peptides for their applications in membrane fusion}, pages = {105}, year = {2019}, language = {en} } @phdthesis{Dronov2007, author = {Dronov, Roman}, title = {Multi-component protein films by layer-by-layer : assembly and electron transfer}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-17281}, school = {Universit{\"a}t Potsdam}, year = {2007}, abstract = {Electron transfer phenomena in proteins represent one of the most common types of biochemical reactions. They play a central role in energy conversion pathways in living cells, and are crucial components in respiration and photosynthesis. These complex biochemical reaction cascades consist of a series of proteins and protein complexes that couple a charge transfer to different forms of chemical energy. The efficiency and sophisticated optimisation of signal transfer in these natural redox chains has inspired engineering of artificial architectures mimicking essential properties of their natural analogues. Implementation of direct electron transfer (DET) in protein assemblies was a breakthrough in bioelectronics, providing a simple and efficient way for coupling biological recognition events to a signal transducer. DET avoids the use of redox mediators, reducing potential interferences and side reactions, as well as being more compatible with in vivo conditions. However, only a few haem proteins, including the redox protein cytochrome c (cyt.c), and blue copper enzymes show efficient DET on different kinds of electrodes. Previous investigations with cyt.c have mainly focused on heterogeneous electron transfer of monolayers of this protein on gold. An important advance was the fabrication of cyt.c multilayers by electrostatic layer-by-layer self-assembly. The ease of fabrication, the stability, and the controllable permeability of polyelectrolyte multilayers have made them particularly attractive for electroanalytical applications. With cyt.c and sulfonated polyaniline it was for the first time possible that fully electro-active multilayers of the redox protein could be prepared. This approach was extended to design an analytical signal chain based on multilayers of cyt.c and xanthine oxidase (XOD). The system does not need an external mediator but relies on an in situ generation of a mediating radical and thus allows a signal transfer from hypoxanthine via the substrate converting enzyme and cyt.c to the electrode. Another kind of a signal chain is based on assembling proteins in complexes on electrodes in such a way that a direct protein-protein electron transfer becomes feasible. This design does not need a redox mediator in analogy to natural protein communication. For this purpose, cyt.c and the enzyme bilirubin oxidase (BOD, EC 1.3.3.5) are co-immobilized in a self-assembled polyelectrolyte multilayer on gold electrodes. Although these two proteins are not natural reaction partners, the protein architecture facilitates an electron transfer from the electrode via multiple protein layers to molecular oxygen resulting in a significant catalytic reduction current. Finally, we describe a novel strategy for multi-protein layer-by-layer self-assembly combining cyt.c with an enzyme sulfite oxidase (SOx) without use of any additional polymer. Electrostatic interactions between these two proteins with rather separated pI values during the assembly process from a low ionic strength buffer were found sufficient for the layer-by-layer deposition of the both biomolecules. It is anticipated that the concepts described in this work will stimulate further progress in multilayer design of even more complex biomimetic signal cascades taking advantage of direct communication between proteins.}, language = {en} } @phdthesis{Kappel2015, author = {Kappel, David}, title = {Multi-spectrum retrieval of maps of Venus' surface emissivity in the infrared}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-85301}, school = {Universit{\"a}t Potsdam}, pages = {xix, 226}, year = {2015}, abstract = {The main goal of this cumulative thesis is the derivation of surface emissivity data in the infrared from radiance measurements of Venus. Since these data are diagnostic of the chemical composition and grain size of the surface material, they can help to improve knowledge of the planet's geology. Spectrally resolved images of nightside emissions in the range 1.0-5.1 μm were recently acquired by the InfraRed Mapping channel of the Visible and InfraRed Thermal Imaging Spectrometer (VIRTIS-M-IR) aboard ESA's Venus EXpress (VEX). Surface and deep atmospheric thermal emissions in this spectral range are strongly obscured by the extremely opaque atmosphere, but three narrow spectral windows at 1.02, 1.10, and 1.18 μm allow the sounding of the surface. Additional windows between 1.3 and 2.6 μm provide information on atmospheric parameters that is required to interpret the surface signals. Quantitative data on surface and atmosphere can be retrieved from the measured spectra by comparing them to simulated spectra. A numerical radiative transfer model is used in this work to simulate the observable radiation as a function of atmospheric, surface, and instrumental parameters. It is a line-by-line model taking into account thermal emissions by surface and atmosphere as well as absorption and multiple scattering by gases and clouds. The VIRTIS-M-IR measurements are first preprocessed to obtain an optimal data basis for the subsequent steps. In this process, a detailed detector responsivity analysis enables the optimization of the data consistency. The measurement data have a relatively low spectral information content, and different parameter vectors can describe the same measured spectrum equally well. A usual method to regularize the retrieval of the wanted parameters from a measured spectrum is to take into account a priori mean values and standard deviations of the parameters to be retrieved. This decreases the probability to obtain unreasonable parameter values. The multi-spectrum retrieval algorithm MSR is developed to additionally consider physically realistic spatial and temporal a priori correlations between retrieval parameters describing different measurements. Neglecting geologic activity, MSR also allows the retrieval of an emissivity map as a parameter vector that is common to several spectrally resolved images that cover the same surface target. Even applying MSR, it is difficult to obtain reliable emissivity maps in absolute values. A detailed retrieval error analysis based on synthetic spectra reveals that this is mainly due to interferences from parameters that cannot be derived from the spectra themselves, but that have to be set to assumed values to enable the radiative transfer simulations. The MSR retrieval of emissivity maps relative to a fixed emissivity is shown to effectively avoid most emissivity retrieval errors. Relative emissivity maps at 1.02, 1.10, and 1.18 μm are finally derived from many VIRTIS-M-IR measurements that cover a surface target at Themis Regio. They are interpreted as spatial variations relative to an assumed emissivity mean of the target. It is verified that the maps are largely independent of the choice of many interfering parameters as well as the utilized measurement data set. These are the first Venus IR emissivity data maps based on a consistent application of a full radiative transfer simulation and a retrieval algorithm that respects a priori information. The maps are sufficiently reliable for future geologic interpretations.}, language = {en} } @phdthesis{Kraut2001, author = {Kraut, Suso}, title = {Multistable systems under the influence of noise}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0000424}, school = {Universit{\"a}t Potsdam}, year = {2001}, abstract = {Nichtlineare multistabile Systeme unter dem Einfluss von Rauschen weisen vielschichtige dynamische Eigenschaften auf. Ein mittleres Rauschlevel zeitigt ein Springen zwischen den metastabilen Zustaenden. Dieser "attractor-hopping" Prozess ist gekennzeichnet durch laminare Bewegung in der Naehe von Attraktoren und erratische Bewegung, die sich auf chaotischen Satteln abspielt, welche in die fraktalen Einzugsgebietsgrenzen eingebettet sind. Er hat rauschinduziertes Chaos zur Folge. Bei der Untersuchung der dissipativen Standardabbildung wurde das Phaenomen der Praeferenz von Attraktoren durch die Wirkung des Rauschens gefunden. Dies bedeutet, dass einige Attraktoren eine groessere Wahrscheinlichkeit erhalten aufzutreten, als dies fuer das rauschfreie System der Fall waere. Bei einer bestimmten Rauschstaerke ist diese Bevorzugung maximal. Andere Attraktoren werden aufgrund des Rauschens weniger oft angelaufen. Bei einer entsprechend hohen Rauschstaerke werden sie komplett ausgeloescht. Die Komplexitaet des Sprungprozesses wird fuer das Modell zweier gekoppelter logistischer Abbildungen mit symbolischer Dynamik untersucht. Bei Variation eines Parameters steigt an einem bestimmten Wert des Parameters die topologische Entropie steil an, die neben der Shannon Entropie als Komplexitaetsmass verwendet wird. Dieser Anstieg wird auf eine neuartige Bifurkation von chaotischen Satteln zurueckgefuehrt, die in einem Verschmelzen zweier Sattel besteht und durch einen "Snap-back"-Repellor vermittelt wird. Skalierungsgesetze sowohl der Verweilzeit auf einem der zuvor getrennten Teile des Sattels als auch des Wachsens der fraktalen Dimension des entstandenen Sattels beschreiben diese neuartige Bifurkation genauer. Wenn ein chaotischer Sattel eingebettet in der offenen Umgebung eines Einzugsgebietes eines metastabilen Zustandes liegt, fuehrt das zu einer deutlichen Senkung der Schwelle des rauschinduzierten Tunnelns. Dies wird anhand der Ikeda-Abbildung, die ein Lasersystem mit einer zeitverzoegerden Interferenz beschreibt, demonstriert. Dieses Resultat wird unter Verwendung der Theorie der Quasipotentiale erzielt. Sowohl dieser Effekt, die Senkung der Schwelle f{\"u}r rauschinduziertes Tunneln aus einem metastabilen Zustand durch einen chaotischen Sattel, als auch die beiden Skalierungsgesteze sind von experimenteller Relevanz.}, language = {en} } @phdthesis{Ronneberger2024, author = {Ronneberger, Sebastian}, title = {Nanolayer Fused Deposition Modeling (NanoFDM)}, school = {Universit{\"a}t Potsdam}, pages = {170}, year = {2024}, language = {en} } @phdthesis{Ullner2004, author = {Ullner, Ekkehard}, title = {Noise-induced phenomena of signal transmission in excitable neural models}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001522}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Meine Dissertation behandelt verschiedene neue rauschinduzierte Ph{\"a}nomene in anregbaren Neuronenmodellen, insbesondere solche mit FitzHugh-Nagumo Dynamik. Ich beschreibe das Auftreten von vibronischer Resonanz in anregbaren Systemen. Sowohl in einer anregbaren elektronischen Schaltung als auch im FitzHugh-Nagumo Modell zeige ich, daß eine optimale Amplitude einer hochfrequenten externen Kraft die Signalantwort bez{\"u}glich eines niederfrequenten Signals verbessert. Weiterhin wird der Einfluß von additivem Rauschen auf das Zusammenwirken von stochastischer und vibronischer Resonanz untersucht. Weiterhin untersuche ich Systeme, die sowohl oszillierende als auch anregbare Eigenschaften beinhalten und dadurch zwei interne Frequenzen aufweisen. Ich zeige, daß in solchen Systemen der Effekt der stochastischen Resonanz deutlich erh{\"o}ht werden kann, wenn eine zus{\"a}tzliche hochfrequente Kraft in Resonanz mit den kleinen Oszillationen unterhalb der Anregungsschwelle hinzugenommen wird. Es ist beachtenswert, daß diese Verst{\"a}rkung der stochastischen Resonanz eine geringere Rauschintensit{\"a}t zum Erreichen des Optimums ben{\"o}tigt als die standartm{\"a}ßige stochastische Resonanz in anregbaren Systemen. Ich untersuche Frequenzselektivit{\"a}t bei der rauschinduzierten Signalverarbeitung von Signalen unterhalb der Anregungsschwelle in Systemen mit vielen rauschunterst{\"u}tzten stochastischen Attraktoren. Diese neuen Attraktoren mit abweichenden gemittelten Perioden weisen auch unterschiedliche Phasenbeziehungen zwischen den einzelnen Elementen auf. Ich zeige, daß die Signalantwort des gekoppelten Systems unter verschiedenen Rauscheinwirkungen deutlich verbessert oder auch reduziert werden kann durch das Treiben einzelner Elemente in Resonanz mit diesen neuen Resonanzfrequenzen, die mit passenden Phasenbeziehungen korrespondieren. Weiterhin konnte ich einen rauschinduzierten Phasen{\"u}bergang von einem selbstoszillierenden System zu einem anregbaren System nachweisen. Dieser {\"U}bergang erfolgt durch eine rauschinduzierte Stabilisierung eines deterministisch instabilen Fixpunktes der lokalen Dynamik, w{\"a}hrend die gesamte Phasenraumstruktur des Systems erhalten bleibt. Die gemeinsame Wirkung von Kopplung und Rauschen f{\"u}hrt zu einem neuen Typ von Phasen{\"u}berg{\"a}ngen und bewirkt eine Stabilisierung des Systems. Das sich daraus ergebende rauschinduziert anregbare Regime zeigt charakteristische Eigenschaften von klassisch anregbaren Systemen, wie stochastische Resonanz und Wellenausbreitung. Dieser rauschinduzierte Phasen{\"u}bergang erm{\"o}glicht dadurch die {\"U}bertragung von Signalen durch ansonsten global oszillierende Systeme und die Kontrolle der Signal{\"u}bertragung durch Ver{\"a}nderung der Rauschintensit{\"a}t. Insbesondere er{\"o}ffnen diese theoretischen Ergebnisse einen m{\"o}glichen Mechanismus zur Unterdr{\"u}ckung unerw{\"u}nschter globaler Oszillationen in neuronalen Netzwerken, welche charakteristisch f{\"u}r abnorme medizinische Zust{\"a}nde, wie z.B. bei der Parkinson\′schen Krankheit oder Epilepsie, sind. Die Wirkung von Rauschen w{\"u}rde dann wieder die Anregbarkeit herstellen, die den normalen Zustand der erkrankten Neuronen darstellt.}, language = {en} } @phdthesis{Kraikivski2005, author = {Kraikivski, Pavel}, title = {Non-equilibrium dynamics of adsorbed polymers and filaments}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-5979}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {In the present work, we discuss two subjects related to the nonequilibrium dynamics of polymers or biological filaments adsorbed to two-dimensional substrates. The first part is dedicated to thermally activated dynamics of polymers on structured substrates in the presence or absence of a driving force. The structured substrate is represented by double-well or periodic potentials. We consider both homogeneous and point driving forces. Point-like driving forces can be realized in single molecule manipulation by atomic force microscopy tips. Uniform driving forces can be generated by hydrodynamic flow or by electric fields for charged polymers. In the second part, we consider collective filament motion in motility assays for motor proteins, where filaments glide over a motor-coated substrate. The model for the simulation of the filament dynamics contains interactive deformable filaments that move under the influence of forces from molecular motors and thermal noise. Motor tails are attached to the substrate and modeled as flexible polymers (entropic springs), motor heads perform a directed walk with a given force-velocity relation. We study the collective filament dynamics and pattern formation as a function of the motor and filament density, the force-velocity characteristics, the detachment rate of motor proteins and the filament interaction. In particular, the formation and statistics of filament patterns such as nematic ordering due to motor activity or clusters due to blocking effects are investigated. Our results are experimentally accessible and possible experimental realizations are discussed.}, subject = {Polymere}, language = {en} } @phdthesis{Hosseini2022, author = {Hosseini, Seyed Mehrdad}, title = {Non-Langevin Recombination in Fullerene and Non-Fullerene Acceptor Solar Cells}, doi = {10.25932/publishup-54783}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-547831}, school = {Universit{\"a}t Potsdam}, pages = {XII, 103}, year = {2022}, abstract = {Organic solar cells (OSCs), in recent years, have shown high efficiencies through the development of novel non-fullerene acceptors (NFAs). Fullerene derivatives have been the centerpiece of the accepting materials used throughout organic photovoltaic (OPV) research. However, since 2015 novel NFAs have been a game-changer and have overtaken fullerenes. However, the current understanding of the properties of NFAs for OPV is still relatively limited and critical mechanisms defining the performance of OPVs are still topics of debate. In this thesis, attention is paid to understanding reduced-Langevin recombination with respect to the device physics properties of fullerene and non-fullerene systems. The work is comprised of four closely linked studies. The first is a detailed exploration of the fill factor (FF) expressed in terms of transport and recombination properties in a comparison of fullerene and non-fullerene acceptors. We investigated the key reason behind the reduced FF in the NFA (ITIC-based) devices which is faster non-geminate recombination relative to the fullerene (PCBM[70]-based) devices. This is then followed by a consideration of a newly synthesized NFA Y-series derivative which exhibits the highest power conversion efficiency for OSC at the time. Such that in the second study, we illustrated the role of disorder on the non-geminate recombination and charge extraction of thick NFA (Y6-based) devices. As a result, we enhanced the FF of thick PM6:Y6 by reducing the disorder which leads to suppressing the non-geminate recombination toward non-Langevin system. In the third work, we revealed the reason behind thickness independence of the short circuit current of PM6:Y6 devices, caused by the extraordinarily long diffusion length of Y6. The fourth study entails a broad comparison of a selection of fullerene and non-fullerene blends with respect to charge generation efficiency and recombination to unveil the importance of efficient charge generation for achieving reduced recombination. I employed transient measurements such as Time Delayed Collection Field (TDCF), Resistance dependent Photovoltage (RPV), and steady-state techniques such as Bias Assisted Charge Extraction (BACE), Temperature-Dependent Space Charge Limited Current (T-SCLC), Capacitance-Voltage (CV), and Photo-Induce Absorption (PIA), to analyze the OSCs. The outcomes in this thesis together draw a complex picture of multiple factors that affect reduced-Langevin recombination and thereby the FF and overall performance. This provides a suitable platform for identifying important parameters when designing new blend systems. As a result, we succeeded to improve the overall performance through enhancing the FF of thick NFA device by adjustment of the amount of the solvent additive in the active blend solution. It also highlights potentially critical gaps in the current experimental understanding of fundamental charge interaction and recombination dynamics.}, language = {en} } @phdthesis{Bachmann2019, author = {Bachmann, Felix}, title = {Non-linearity of magnetic micropropellers}, school = {Universit{\"a}t Potsdam}, pages = {120}, year = {2019}, language = {en} } @phdthesis{Graetz2020, author = {Gr{\"a}tz, Fabio M.}, title = {Nonlinear diffusion in granular gases and dense planetary rings}, school = {Universit{\"a}t Potsdam}, pages = {101}, year = {2020}, abstract = {Small moonlets or moons embedded in dense planetary rings create S-shaped density modulations called propellers if their masses are smaller than a certain threshold, alternatively they create a circumferential gap in the disk if the embedded body's mass exceeds this threshold (Spahn and Sremčević, 2000). The gravitational perturber scatters the ring particles, depletes the disk's density, and, thus, clears a gap, whereas counteracting viscous diffusion of the ring material has the tendency to close the created gap, thereby forming a propeller. Propeller objects were predicted by Spahn and Sremčević (2000) and Sremčević et al. (2002) and were later discovered by the Cassini space probe (Tiscareno et al., 2006, Sremčević et al., 2007, Tiscareno et al., 2008, and Tiscareno et al., 2010). The ring moons Pan and Daphnis are massive enough to maintain the circumferential Encke and Keeler gaps in Saturn's A ring and were detected by Showalter (1991) and Porco (2005) in Voyager and Cassini images, respectively. In this thesis, a nonlinear axisymmetric diffusion model is developed to describe radial density profiles of circumferential gaps in planetary rings created by embedded moons (Grätz et al., 2018). The model accounts for the gravitational scattering of the ring particles by the embedded moon and for the counteracting viscous diffusion of the ring matter back into the gap. With test particle simulations it is shown that the scattering of the ring particles passing the moon is larger for small impact parameters than estimated by Goldreich and Tremaine (1980). This is especially significant for the modeling of the Keeler gap. The model is applied to the Encke and Keeler gaps with the aim to estimate the shear viscosity of the ring in their vicinities. In addition, the model is used to analyze whether tiny icy moons whose dimensions lie below Cassini's resolution capabilities would be able to cause the poorly understood gap structure of the C ring and the Cassini Division. One of the most intriguing facets of Saturn's rings are the extremely sharp edges of the Encke and Keeler gaps: UVIS-scans of their gap edges show that the optical depth drops from order unity to zero over a range of far less than 100 m, a spatial scale comparable to the ring's vertical extent. This occurs despite the fact that the range over which a moon transfers angular momentum onto the ring material is much larger. Borderies et al. (1982, 1989) have shown that this striking feature is likely related to the local reversal of the usually outward-directed viscous transport of angular momentum in strongly perturbed regions. We have revised the Borderies et al. (1989) model using a granular flow model to define the shear and bulk viscosities, ν and ζ, in order to incorporate the angular momentum flux reversal effect into the axisymmetric diffusion model for circumferential gaps presented in this thesis (Grätz et al., 2019). The sharp Encke and Keeler gap edges are modeled and conclusions regarding the shear and bulk viscosities of the ring are discussed. Finally, we explore the question of whether the radial density profile of the central and outer A ring, recently measured by Tiscareno and Harris (2018) in the highest resolution to date, and in particular, the sharp outer A ring edge can be modeled consistently from the balance of gravitational scattering by several outer moons and the mass and momentum transport. To this aim, the developed model is extended to account for the inward drifts caused by multiple discrete and overlapping resonances with multiple outer satellites and is then used to hydrodynamically simulate the normalized surface mass density profile of the A ring. This section of the thesis is based on studies by Tajeddine et al. (2017a) who recently discussed the common misconception that the 7:6 resonance with Janus alone maintains the outer A ring edge, showing that the combined effort of several resonances with several outer moons is required to confine the A ring as observed by the Cassini spacecraft.}, language = {en} } @phdthesis{Wu2010, author = {Wu, Ye}, title = {Nonlinear dynamics in complex networks and modeling human dynamics}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-47358}, school = {Universit{\"a}t Potsdam}, year = {2010}, abstract = {Durch große Datenmengen k{\"o}nnen die Forscher die Eigenschaften komplexer Systeme untersuchen, z.B. komplexe Netzwerk und die Dynamik des menschlichen Verhaltens. Eine große Anzahl an Systemen werden als große und komplexe Netzwerke dargestellt, z.B. das Internet, Stromnetze, Wirtschaftssysteme. Immer mehr Forscher haben großes Interesse an der Dynamik des komplexen Netzwerks. Diese Arbeit besteht aus den folgenden drei Teilen. Der erste Teil ist ein einfacher dynamischer Optimierungs-Kopplungs-Mechanismus, aber sehr wirksam. Durch den Mechanismus kann synchronisation in komplexen Netzwerken mit und ohne Zeitverz{\"o}gerung realisiert, und die F{\"a}higkeit der Synchronisation von small-world und scale-free Netze verbessert werden. Im zweiten Teil geht um die Verst{\"a}rkung der Robustheit der scale-free Netze im Zusammenhang mit der Gemeinden-Struktur. Einige Reaktionsmuster und topologische Gemeinden sind einheitlich. Die Ergebnisse zeigen einen neuen Aspekt der Beziehung zwischen den Funktionen und der Netzwerk-Topologie von komplexen Netzwerken. Im dritten Teil welche eine wichtige Rolle in komplexen Netzwerken spielt, wird die Verhaltens-Dynamik der menschliche Mitteilung durch Daten- und Modellanalysierung erforscht, dann entsteht ein neues Mitteilungsmodell. Mit Hilfe von einem Interaktion priority-Queue Model kann das neue Modell erkl{\"a}rt werden. Mit Hilfe des Models k{\"o}nnen viele praktische Interaktions-Systeme erkl{\"a}rt werden, z.B. E-Mail und Briefe (oder Post). Mit Hilfe meiner Untersuchung kann man menschliches Verhalten auf der Individuums- und Netzwerkebene neu kennenlernen. Im vierter Teil kann ich nachweisen, dass menschliches Kommentar-Verhalten in on-line Sozialsystemen, eine andere Art der Interaktionsdynamik von Mensch non-Poisson ist und dieses am Modell erkl{\"a}ren. Mit Hilfe der non-Poisson Prozesse kann man das pers{\"o}nliche Anziehungskraft-Modell besser verstehen. Die Ergebnisse sind hilfreich zum Kennenlernen des Musters des menschlichen Verhaltens in on-line Gesellschaften und der Entwicklung von {\"o}ffentlicher Meinung nicht nur in der virtuellen Gesellschaftn sondern auch in der Realgesellschaft. Am Ende geht es um eine Prognose von menschlicher Dynamik und komplexen Netzwerken.}, language = {en} } @phdthesis{Ghani2012, author = {Ghani, Fatemeh}, title = {Nucleation and growth of unsubstituted metal phthalocyanine films from solution on planar substrates}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-64699}, school = {Universit{\"a}t Potsdam}, year = {2012}, abstract = {Organic solar cells (OSC) are interesting as low cost alternative to conventional solar cells. Unsubstituted Metal-phthalocyanines (Pc) are excellent electron donating molecules for heterojunction OSC. Usually organic solar cells with Pcs are produced by vapor deposition, although solution based deposition (like spin casting) is cheaper and offers more possibilities to control the structure of the film. With solution based deposition several parameters (like temperature, solvent and etc.) affect the self-organized structure formation via nucleation and growth. The reason why vapor deposition is typically used is the poor solubility of the metal-phthalocyanines in most common solvents. Furthermore the process of nucleation and growth of Pc aggregates from solution is not well understood. For preparation of Pc films from solution, it is necessary to find the appropriate solvents, assess the solution deposition techniques, such as dip coating, and spin casting. It is necessary to understand the nucleation and growth process for aggregation/precipitation and to use this knowledge to produce nanostructures appropriate for OSC. This is important because the nanostructure of the films determines their performance. In this thesis, optical absorption and the stability of 8 different unsubstituted metal Pc's were studied quantitatively in 28 different solvents. Among the several solution based deposited thin films produced based on this study, copper phthalocyanine (CuPc) dissolved in trifluoroacetic acid (TFA) is chosen as a model system for an in-depth study. CuPc has sufficient solubility and stability in TFA and upon solution processing forms appropriate structures for OSCs. CuPc molecules aggregate into layers of nanoribbons with a thickness of ~ 1 nm and an adjustable width and length. The morphology and the number of deposited layers in the thin films are controlled by different parameters, like temperature and solution concentration. Material properties of CuPc deposited from TFA are studied in detail via x-ray diffraction, UV-Vis and FT-IR spectroscopy. Atomic force microscopy was used to study the morphology of the dried film. The mechanism of the formation of CuPc nanoribbons from spin casted CuPc/TFA solution in ambient temperature is investigated and explained. The parameters (e.g. solution concentration profile) governing nucleation and growth are calculated based on the spin casting theory of a binary mixture of a nonvolatile solute and evaporative solvent. Based on this and intermolecular interactions between CuPc and substrate a nucleation and growth model is developed explaining the aggregation of CuPc in a supersaturated TFA solution. Finally, a solution processed thin film of CuPc is applied as a donor layer in a functioning bilayer heterojunction OSC and the influence of the structure on OSC performance is studied.}, language = {en} } @phdthesis{HernandezAnguizola2020, author = {Hernandez Anguizola, Eloy Luis}, title = {Numerical simulations in multimode fibres for astronomical spectroscopy}, doi = {10.25932/publishup-47236}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-472363}, school = {Universit{\"a}t Potsdam}, pages = {xvi, 114}, year = {2020}, abstract = {The goal of this thesis was to thoroughly investigate the behavior of multimode fibres to aid the development of modern and forthcoming fibre-fed spectrograph systems. Based on the Eigenmode Expansion Method, a field propagation model was created that can emulate effects in fibres relevant for astronomical spectroscopy, such as modal noise, scrambling, and focal ratio degradation. These effects are of major concern for any fibre-coupled spectrograph used in astronomical research. Changes in the focal ratio, modal distribution of light or non-perfect scrambling limit the accuracy of measurements, e.g. the flux determination of the astronomical object, the sky-background subtraction and detection limit for faint galaxies, or the spectral line position accuracy used for the detection of extra-solar planets. Usually, fibres used for astronomical instrumentation are characterized empirically through tests. The results of this work allow to predict the fibre behaviour under various conditions using sophisticated software tools to simulate the waveguide behaviour and mode transport of fibres. The simulation environment works with two software interfaces. The first is the mode solver module FemSIM from Rsoft. It is used to calculate all the propagation modes and effective refractive indexes of a given system. The second interface consists of Python scripts which enable the simulation of the near- and far-field outputs of a given fibre. The characteristics of the input field can be manipulated to emulate real conditions. Focus variations, spatial translation, angular fluctuations, and disturbances through the mode coupling factor can also be simulated. To date, complete coherent propagation or complete incoherent propagation can be simulated. Partial coherence was not addressed in this work. Another limitation of the simulations is that they work exclusively for the monochromatic case and that the loss coefficient of the fibres is not considered. Nevertheless, the simulations were able to match the results of realistic measurements. To test the validity of the simulations, real fibre measurements were used for comparison. Two fibres with different cross-sections were characterized. The first fibre had a circular cross-section, and the second one had an octagonal cross-section. The utilized test-bench was originally developed for the prototype fibres of the 4MOST fibre feed characterization. It allowed for parallel laser beam measurements, light cone measurements, and scrambling measurements. Through the appropriate configuration, the acquisition of the near- and/or far-field was feasible. By means of modal noise analysis, it was possible to compare the near-field speckle patterns of simulations and measurements as a function of the input angle. The spatial frequencies that originate from the modal interference could be analyzed by using the power spectral density analysis. Measurements and simulations yielded similar results. Measurements with induced modal scrambling were compared to simulations using incoherent propagation and once again similar results were achieved. Through both measurements and simulations, the enlargement of the near-field distribution could be observed and analyzed. The simulations made it possible to explain incoherent intensity fluctuations that appear in real measurements due to the field distribution of the active propagation modes. By using the Voigt analysis in the far-field distribution, it was possible to separate the modal diffusion component in order to compare it with the simulations. Through an appropriate assessment, the modal diffusion component as a function of the input angle could be translated into angular divergence. The simulations gave the minimal angular divergence of the system. Through the mean of the difference between simulations and measurements, a figure of merit is given which can be used to characterize the angular divergence of real fibres using the simulations. Furthermore, it was possible to simulate light cone measurements. Due to the overall consistent results, it can be stated that the simulations represent a good tool to assist the fibre characterization process for fibre-fed spectrograph systems. This work was possible through the BMBF Grant 05A14BA1 which was part of the phase A study of the fibre system for MOSAIC, a multi-object spectrograph for the Extremely Large Telescope (ELT-MOS).}, language = {en} } @phdthesis{Loeffler2005, author = {L{\"o}ffler, Frank}, title = {Numerical simulations of neutron star - black hole mergers}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-7743}, school = {Universit{\"a}t Potsdam}, year = {2005}, abstract = {Collisions of black holes and neutron stars, named mixed binaries in the following, are interesting because of at least two reasons. Firstly, it is expected that they emit a large amount of energy as gravitational waves, which could be measured by new detectors. The form of those waves is expected to carry information about the internal structure of such systems. Secondly, collisions of such objects are the prime suspects of short gamma ray bursts. The exact mechanism for the energy emission is unknown so far. In the past, Newtonian theory of gravitation and modifications to it were often used for numerical simulations of collisions of mixed binary systems. However, near to such objects, the gravitational forces are so strong, that the use of General Relativity is necessary for accurate predictions. There are a lot of problems in general relativistic simulations. However, systems of two neutron stars and systems of two black holes have been studies extensively in the past and a lot of those problems have been solved. One of the remaining problems so far has been the use of hydrodynamic on excision boundaries. Inside excision regions, no evolution is carried out. Such regions are often used inside black holes to circumvent instabilities of the numerical methods near the singularity. Methods to handle hydrodynamics at such boundaries have been described and tests are shown in this work. One important test and the first application of those methods has been the simulation of a collapsing neutron star to a black hole. The success of these simulations and in particular the performance of the excision methods was an important step towards simulations of mixed binaries. Initial data are necessary for every numerical simulation. However, the creation of such initial data for general relativistic situations is in general very complicated. In this work it is shown how to obtain initial data for mixed binary systems using an already existing method for initial data of two black holes. These initial data have been used for evolutions of such systems and problems encountered are discussed in this work. One of the problems are instabilities due to different methods, which could be solved by dissipation of appropriate strength. Another problem is the expected drift of the black hole towards the neutron star. It is shown, that this can be solved by using special gauge conditions, which prevent the black hole from moving on the computational grid. The methods and simulations shown in this work are only the starting step for a much more detailed study of mixed binary system. Better methods, models and simulations with higher resolution and even better gauge conditions will be focus of future work. It is expected that such detailed studies can give information about the emitted gravitational waves, which is important in view of the newly built gravitational wave detectors. In addition, these simulations could give insight into the processes responsible for short gamma ray bursts.}, subject = {Relativistische Astrophysik}, language = {en} } @phdthesis{Koppitz2004, author = {Koppitz, Michael}, title = {Numerical studies of Black Hole initial data}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001245}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Diese Doktorarbeit behandelt neue Methoden der numerischen Evolution von Systemen mit bin{\"a}ren Schwarzen L{\"o}chern. Wir analysieren und vergleichen Evolutionen von verschiedenen physikalisch motivierten Anfangsdaten und zeigen Resultate der ersten Evolution von so genannten 'Thin Sandwich' Daten, die von der Gruppe in Meudon entwickelt wurden. Zum ersten Mal wurden zwei verschiedene Anfangsdaten anhand von dreidimensionalen Evolutionen verglichen: die Puncture-Daten und die Thin-Sandwich Daten. Diese zwei Datentypen wurden im Hinblick auf die physikalischen Eigenschaften w{\"a}hrend der Evolution verglichen. Die Evolutionen zeigen, dass die Meudon Daten im Vergleich zu Puncture Daten wesentlich mehr Zeit ben{\"o}tigen bevor sie kollidieren. Dies deutet auf eine bessere Absch{\"a}tzung der Parameter hin. Die Kollisionszeiten der numerischen Evolutionen sind konsistent mit unabh{\"a}ngigen Sch{\"a}tzungen basierend auf Post-Newtonschen N{\"a}herungen die vorhersagen, dass die Schwarzen L{\"o}cher ca. 60\% eines Orbits rotieren bevor sie kollidieren.}, language = {en} } @phdthesis{Knopf2006, author = {Knopf, Brigitte}, title = {On intrinsic uncertainties in earth system modelling}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus-10949}, school = {Universit{\"a}t Potsdam}, year = {2006}, abstract = {Uncertainties are pervasive in the Earth System modelling. This is not just due to a lack of knowledge about physical processes but has its seeds in intrinsic, i.e. inevitable and irreducible, uncertainties concerning the process of modelling as well. Therefore, it is indispensable to quantify uncertainty in order to determine, which are robust results under this inherent uncertainty. The central goal of this thesis is to explore how uncertainties map on the properties of interest such as phase space topology and qualitative dynamics of the system. We will address several types of uncertainty and apply methods of dynamical systems theory on a trendsetting field of climate research, i.e. the Indian monsoon. For the systematic analysis concerning the different facets of uncertainty, a box model of the Indian monsoon is investigated, which shows a saddle node bifurcation against those parameters that influence the heat budget of the system and that goes along with a regime shift from a wet to a dry summer monsoon. As some of these parameters are crucially influenced by anthropogenic perturbations, the question is whether the occurrence of this bifurcation is robust against uncertainties in parameters and in the number of considered processes and secondly, whether the bifurcation can be reached under climate change. Results indicate, for example, the robustness of the bifurcation point against all considered parameter uncertainties. The possibility of reaching the critical point under climate change seems rather improbable. A novel method is applied for the analysis of the occurrence and the position of the bifurcation point in the monsoon model against parameter uncertainties. This method combines two standard approaches: a bifurcation analysis with multi-parameter ensemble simulations. As a model-independent and therefore universal procedure, this method allows investigating the uncertainty referring to a bifurcation in a high dimensional parameter space in many other models. With the monsoon model the uncertainty about the external influence of El Ni{\~n}o / Southern Oscillation (ENSO) is determined. There is evidence that ENSO influences the variability of the Indian monsoon, but the underlying physical mechanism is discussed controversially. As a contribution to the debate three different hypotheses are tested of how ENSO and the Indian summer monsoon are linked. In this thesis the coupling through the trade winds is identified as key in linking these two key climate constituents. On the basis of this physical mechanism the observed monsoon rainfall data can be reproduced to a great extent. Moreover, this mechanism can be identified in two general circulation models (GCMs) for the present day situation and for future projections under climate change. Furthermore, uncertainties in the process of coupling models are investigated, where the focus is on a comparison of forced dynamics as opposed to fully coupled dynamics. The former describes a particular type of coupling, where the dynamics from one sub-module is substituted by data. Intrinsic uncertainties and constraints are identified that prevent the consistency of a forced model with its fully coupled counterpart. Qualitative discrepancies between the two modelling approaches are highlighted, which lead to an overestimation of predictability and produce artificial predictability in the forced system. The results suggest that bistability and intermittent predictability, when found in a forced model set-up, should always be cross-validated with alternative coupling designs before being taken for granted. All in this, this thesis contributes to the fundamental issue of dealing with uncertainties the climate modelling community is confronted with. Although some uncertainties allow for including them in the interpretation of the model results, intrinsic uncertainties could be identified, which are inevitable within a certain modelling paradigm and are provoked by the specific modelling approach.}, subject = {Unsicherheit}, language = {en} } @phdthesis{KianiAlibagheri2017, author = {Kiani Alibagheri, Bahareh}, title = {On structural properties of magnetosome chains}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-398849}, school = {Universit{\"a}t Potsdam}, pages = {XIV, 117}, year = {2017}, abstract = {Magnetotaktische Bakterien besitzen eine intrazellul{\"a}re Struktur, die Magnetosomenkette genannt wird. Magnetosomenketten enthalten Nanopartikel von Eisenkristallen, die von einer Membran umschlossen und entlang eines Zytoskelettfilaments ausgerichtet sind. Dank der Magnetosomenkette ist es magnetotaktischen Bakterien m{\"o}glich sich in Magnetfeldern auszurichten und entlang magnetischer Feldlinien zu schwimmen. Die ausf{\"u}hrliche Untersuchung der strukturellen Eigenschaften der Magnetosomenkette in magnetotaktischen Bakterien sind von grundlegendem wissenschaftlichen Interesse, weil sie Einblicke in die Anordnung des Zytoskeletts von Bakterien erlauben. In dieser Studie haben wir ein neues theoretisches Modell entwickelt, dass sich dazu eignet, die strukturellen Eigenschaften der Magnetosomenketten in magnetotaktischen Bakterien zu erforschen. Zuerst wenden wir uns der Biegesteifigkeit von Magnetosomenketten zu, die von zwei Faktoren beeinflusst wird: Die magnetische Wechselwirkung der Magnetosomenpartikel und der Biegesteifigkeit des Zytoskelettfilaments auf welchem die Magnetosome verankert sind. Unsere Analyse zeigt, dass sich die lineare Konfiguration von Magnetosomenpartikeln ohne die Stabilisierung durch das Zytoskelett zu einer ring{\"o}rmigen Struktur biegen w{\"u}rde, die kein magnetisches Moment aufweist und daher nicht die Funktion eines Kompass in der zellul{\"a}ren Navigation einnehmen k{\"o}nnte. Wir schlussfolgern, dass das Zytoskelettfilament eine stabilisierende Wirkung auf die lineare Konfiguration hat und eine ringf{\"o}rmige Anordnung verhindert. Wir untersuchen weiter die Gleichgewichtskonfiguration der Magnetosomenpartikel in einer linearen Kette und in einer geschlossenen ringf{\"o}rmigen Struktur. Dabei beobachteten wir ebenfalls, dass f{\"u}r eine stabile lineare Anordnung eine Bindung an ein Zytoskelettfilament notwendig ist. In einem externen magnetischen Feld wird die Stabilit{\"a}t der Magnetosomenketten durch die Dipol-Dipol-Wechselwirkung, {\"u}ber die Steifheit und die Bindungsenergie der Proteinstruktur, die die Partikel des Magnetosomen mit dem Filament verbinden, erreicht. Durch Beobachtungen w{\"a}hrend und nach der Behandlung einer Magnetosomenkette mit einem externen magnetischen Feld, l{\"a}sst sich begr{\"u}nden, dass die Stabilisierung von Magnetosomenketten durch Zytoskelettfilamente {\"u}ber proteinhaltige Bindeglieder und die dynamischen Eigenschaften dieser Strukturen realisiert wird. Abschließend wenden wir unser Modell bei der Untersuchung von ferromagnetischen Resonanz-Spektren von Magnetosomenketten in einzelnen Zellen von magnetotaktischen Bakterien an. Wir erforschen den Effekt der magnetokristallinen Anistropie in ihrer dreifach-Symmetrie, die in ferromagnetischen Ressonanz Spektren beobachtet wurden und die Besonderheit von verschiedenen Spektren, die bei Mutanten dieser Bakterien auftreten.}, language = {en} }