TY - JOUR A1 - Mattern, M. A1 - Pudell, Jan-Etienne A1 - Laskin, G. A1 - von Reppert, A. A1 - Bargheer, Matias T1 - Analysis of the temperature- and fluence-dependent magnetic stress in laser-excited SrRuO3 JF - Structural Dynamics N2 - We use ultrafast x-ray diffraction to investigate the effect of expansive phononic and contractive magnetic stress driving the picosecond strain response of a metallic perovskite SrRuO3 thin film upon femtosecond laser excitation. We exemplify how the anisotropic bulk equilibrium thermal expansion can be used to predict the response of the thin film to ultrafast deposition of energy. It is key to consider that the laterally homogeneous laser excitation changes the strain response compared to the near-equilibrium thermal expansion because the balanced in-plane stresses suppress the Poisson stress on the picosecond timescale. We find a very large negative Grüneisen constant describing the large contractive stress imposed by a small amount of energy in the spin system. The temperature and fluence dependence of the strain response for a double-pulse excitation scheme demonstrates the saturation of the magnetic stress in the high-fluence regime. KW - Thin films KW - Thermodynamic properties KW - Bragg peak KW - Ultrafast X-ray diffraction KW - Thermal effects KW - Phonons KW - Magnetism KW - Lattice dynamics KW - Lasers KW - Perovskites Y1 - 2020 U6 - https://doi.org/10.1063/4.0000072 SN - 2329-7778 ER - TY - JOUR A1 - Thapa, Samudrajit A1 - Wyłomańska, Agnieszka A1 - Sikora, Grzegorz A1 - Wagner, Caroline E. A1 - Krapf, Diego A1 - Kantz, Holger A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Leveraging large-deviation statistics to decipher the stochastic properties of measured trajectories JF - New Journal of Physics N2 - Extensive time-series encoding the position of particles such as viruses, vesicles, or individualproteins are routinely garnered insingle-particle tracking experiments or supercomputing studies.They contain vital clues on how viruses spread or drugs may be delivered in biological cells.Similar time-series are being recorded of stock values in financial markets and of climate data.Such time-series are most typically evaluated in terms of time-averaged mean-squareddisplacements (TAMSDs), which remain random variables for finite measurement times. Theirstatistical properties are different for differentphysical stochastic processes, thus allowing us toextract valuable information on the stochastic process itself. To exploit the full potential of thestatistical information encoded in measured time-series we here propose an easy-to-implementand computationally inexpensive new methodology, based on deviations of the TAMSD from itsensemble average counterpart. Specifically, we use the upper bound of these deviations forBrownian motion (BM) to check the applicability of this approach to simulated and real data sets.By comparing the probability of deviations fordifferent data sets, we demonstrate how thetheoretical bound for BM reveals additional information about observed stochastic processes. Weapply the large-deviation method to data sets of tracer beads tracked in aqueous solution, tracerbeads measured in mucin hydrogels, and of geographic surface temperature anomalies. Ouranalysis shows how the large-deviation properties can be efficiently used as a simple yet effectiveroutine test to reject the BM hypothesis and unveil relevant information on statistical propertiessuch as ergodicity breaking and short-time correlations. KW - diffusion KW - anomalous diffusion KW - large-deviation statistic KW - time-averaged mean squared displacement KW - Chebyshev inequality Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/abd50e SN - 1367-2630 VL - 23 PB - Dt. Physikalische Ges. ; IOP CY - Bad Honnef ; London ER - TY - THES A1 - Keles, Engin T1 - Atmospheric properties and dynamics of gaseous exoplanets inferred from high-resolution alkali line transmission spectroscopy N2 - The characterization of exoplanets applying high-resolution transmission spectroscopy ini- tiated a new era making it possible to trace atmospheric signature at high altitudes in exoplanet atmospheres and to determine atmospheric properties which enrich our under- standing of the formation and evolution of the solar system. In contrast to what is observed in our solar system, where gaseous planets orbit at wide orbits, Jupiter type exoplanets were detected in foreign stellar systems surrounding their host stars within few days, in close orbits, the so called hot- and ultra-hot Jupiters. The most well studied ones are HD209458b and HD189733b, which are the first exoplanets where absorption is detected in their atmospheres, namely from the alkali line sodium. For hot Jupiters, the resonant alkali lines are the atmospheric species with one of the strongest absorption signatures, due to their large absorption cross-section. However, al- though the alkali lines sodium and potassium were detected in low-resolution observations for various giant exoplanets, potassium was absent in different high-resolution investiga- tions in contrast to sodium. The reason for this is quite puzzling, since both alkalis have very similar physical and chemical properties (e.g. condensation and ionization proper- ties). Obtaining high-resolution transit observations of HD189733b and HD209458b, we were able to detect potassium on HD189733b (Manuscript 1), which was the first high-resolution detection of potassium on an exoplanet. The absence of potassium on HD209458b could be reasoned by depletion processes, such as condensation or photo-ionization or high-altitude clouds. In a further study (Manuscript II), we resolved the potassium line and compared this to a previously detected sodium absorption on this planet. The comparison showed, that the potassium lines are either tracing different altitudes and temperatures compared to the sodium lines, or are depleted so that the planetary Na/K- ratio is way larger than the stellar one. A comparison of the alkali lines with synthetic line profiles showed that the sodium lines were much broader than the potassium lines, probably being induced by winds. To investigate this, the effect of zonal streaming winds on the sodium lines on Jupiter-type planets is investigated in a further study (Manuscript III), showing that such winds can significantly broaden the Na- lines and that high-resolution observations can trace such winds with different properties. Furthermore, investigating the Na-line observations for different exoplanets, I showed that the Na-line broadening follows a trend with cooler planets showing stronger line broadening and so hinting on stronger winds, matching well into theoretical predictions. Each presented manuscript depends on the re- sults published within the previous manuscript, yielding a unitary study of the exoplanet HD189733b. The investigation of the potassium absorption required to account for different effects: The telluric lines removal and the effect of center-to-limb variation (see Manuscript I), the residual Rossiter-Mc-Laughlin effect (see Manuscript II) and the broadening of spectral lines on a translucent atmospheric ring by zonal jet streams (see Manuscript III). This thesis shows that high-resolution transmission spectroscopy is a powerful tool to probe sharp alkali line absorption on giant exoplanet atmospheres and to investigate on the properties and dynamics of hot Jupiter type atmospheres. KW - planets and satellites: atmospheres KW - planets and satellites: composition KW - planets and satellites: gaseous planets KW - exoplanets Y1 - 2021 ER - TY - THES A1 - Dineva, Ekaterina T1 - Sun-as-a-star Spectroscopy with PEPSI BT - tracing solar activity in strongchromospheric absorption lines Y1 - 2021 ER - TY - JOUR A1 - Teichmann, Erik T1 - Using phase dynamics to study partial synchrony BT - three examples JF - European physical journal special topics N2 - Partial synchronous states appear between full synchrony and asynchrony and exhibit many interesting properties. Most frequently, these states are studied within the framework of phase approximation. The latter is used ubiquitously to analyze coupled oscillatory systems. Typically, the phase dynamics description is obtained in the weak coupling limit, i.e., in the first-order in the coupling strength. The extension beyond the first-order represents an unsolved problem and is an active area of research. In this paper, three partially synchronous states are investigated and presented in order of increasing complexity. First, the usage of the phase response curve for the description of macroscopic oscillators is analyzed. To achieve this, the response of the mean-field oscillations in a model of all-to-all coupled limit-cycle oscillators to pulse stimulation is measured. The next part treats a two-group Kuramoto model, where the interaction of one attractive and one repulsive group results in an interesting solitary state, situated between full synchrony and self-consistent partial synchrony. In the last part, the phase dynamics of a relatively simple system of three Stuart-Landau oscillators are extended beyond the weak coupling limit. The resulting model contains triplet terms in the high-order phase approximation, though the structural connections are only pairwise. Finally, the scaling of the new terms with the coupling is analyzed. Y1 - 2021 U6 - https://doi.org/10.1140/epjs/s11734-021-00156-3 SN - 1951-6355 SN - 1951-6401 VL - 230 IS - 14-15 SP - 2833 EP - 2842 PB - Springer CY - Heidelberg ER - TY - JOUR A1 - Rubio, Jesús A1 - Anders, Janet A1 - Correa, Luis A. T1 - Global quantum thermometry JF - Physical review letters / publ. by the American Physical Society N2 - A paradigm shift in quantum thermometry is proposed. To date, thermometry has relied on local estimation, which is useful to reduce statistical fluctuations once the temperature is very well known. In order to estimate temperatures in cases where few measurement data or no substantial prior knowledge are available, we build instead a method for global quantum thermometry. Based on scaling arguments, a mean logarithmic error is shown here to be the correct figure of merit for thermometry. Its full minimization provides an operational and optimal rule to postprocess measurements into a temperature reading, and it establishes a global precision limit. We apply these results to the simulated outcomes of measurements on a spin gas, finding that the local approach can lead to biased temperature estimates in cases where the global estimator converges to the true temperature. The global framework thus enables a reliable approach to data analysis in thermometry experiments. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevLett.127.190402 SN - 0031-9007 SN - 1079-7114 VL - 127 IS - 19 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Bouma, Sietske Jeltje Deirdre A1 - Richter, Philipp A1 - Wendt, Martin T1 - The relation between Ly alpha absorbers and local galaxy filaments JF - Astronomy and astrophysics : an international weekly journal N2 - Context. The intergalactic medium (IGM) is believed to contain the majority of baryons in the universe and to trace the same dark matter structure as galaxies, forming filaments and sheets. Ly alpha absorbers, which sample the neutral component of the IGM, have been extensively studied at low and high redshift, but the exact relation between Ly alpha absorption, galaxies, and the large-scale structure is observationally not well constrained.Aims. In this study, we aim at characterising the relation between Ly alpha absorbers and nearby over-dense cosmological structures (galaxy filaments) at recession velocities Delta v <= 6700 km s(-1) by using archival observational data from various instruments.Methods. We analyse 587 intervening Ly alpha absorbers in the spectra of 302 extragalactic background sources obtained with the Cosmic Origins Spectrograph (COS) installed on the Hubble Space Telescope (HST). We combine the absorption line information with galaxy data of five local galaxy filaments from the V8k catalogue.Results. Along the 91 sightlines that pass close to a filament, we identify 215 (227) Ly alpha absorption systems (components). Among these, 74 Ly alpha systems are aligned in position and velocity with the galaxy filaments, indicating that these absorbers and the galaxies trace the same large-scale structure. The filament-aligned Ly alpha absorbers have a similar to 90% higher rate of incidence (d?/dz=189 for log N(HI) >= 13.2) and a slightly shallower column density distribution function slope (-beta=-1.47) relative to the general Ly alpha population at z=0, reflecting the filaments' matter over-density. The strongest Ly alpha absorbers are preferentially found near galaxies or close to the axis of a filament, although there is substantial scatter in this relation. Our sample of absorbers clusters more strongly around filament axes than a randomly distributed sample would do (as confirmed by a Kolmogorov-Smirnov test), but the clustering signal is less pronounced than for the galaxies in the filaments. KW - galaxies: halos KW - intergalactic medium KW - quasars: absorption lines KW - large-scale structure of Universe KW - techniques: spectroscopic KW - ultraviolet: general Y1 - 2021 U6 - https://doi.org/10.1051/0004-6361/202039786 SN - 0004-6361 SN - 1432-0746 VL - 647 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Keles, Engin T1 - Spectral signature of atmospheric winds in high-resolution transit observations JF - Monthly Notices of the Royal Astronomical Society N2 - The study of exoplanet atmospheres showed large diversity compared to the planets in our Solar system. Especially Jupiter-type exoplanets orbiting their host star in close orbits, the so-called hot and ultra-hot Jupiters, have been studied in detail due to their enhanced atmospheric signature. Due to their tidally locked status, the temperature difference between the day- and nightside triggers atmospheric winds that can lead to various fingerprints in the observations. Spatially resolved absorption lines during transit such as sodium (Na) could be a good tracer for such winds. Different works resolved the Na absorption lines on different exoplanets which show different line widths. Assuming that this could be attributed to such zonal jet streams, this work models the effect of such winds on synthetic absorption lines. For this, transiting Jupiter-type planets with rotational velocities similar to hot and ultra-hot Jupiter are considered. The investigation shows that high wind velocities could reproduce the broadening of Na-line profiles inferred in different high-resolution transit observations. There is a tendency that the broadening values decrease for planets with lower equilibrium temperature. This could be explained by atmospheric drag induced by the ionization of alkali lines that slow down the zonal jet streams, favouring their existence on hot Jupiter rather than ultra-hot Jupiter. Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab099 VL - 502 IS - 1 SP - 1456 EP - 1468 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Zeuschner, S. P. A1 - Mattern, M. A1 - Pudell, Jan-Etienne A1 - von Reppert, A. A1 - Rössle, M. A1 - Leitenberger, Wolfram A1 - Schwarzkopf, J. A1 - Boschker, J. E. A1 - Herzog, Marc A1 - Bargheer, Matias T1 - Reciprocal space slicing BT - a time-efficient approach to femtosecond x-ray diffraction JF - Structural Dynamics N2 - An experimental technique that allows faster assessment of out-of-plane strain dynamics of thin film heterostructures via x-ray diffraction is presented. In contrast to conventional high-speed reciprocal space-mapping setups, our approach reduces the measurement time drastically due to a fixed measurement geometry with a position-sensitive detector. This means that neither the incident (ω) nor the exit (2θ) diffraction angle is scanned during the strain assessment via x-ray diffraction. Shifts of diffraction peaks on the fixed x-ray area detector originate from an out-of-plane strain within the sample. Quantitative strain assessment requires the determination of a factor relating the observed shift to the change in the reciprocal lattice vector. The factor depends only on the widths of the peak along certain directions in reciprocal space, the diffraction angle of the studied reflection, and the resolution of the instrumental setup. We provide a full theoretical explanation and exemplify the concept with picosecond strain dynamics of a thin layer of NbO2. Y1 - 0202 U6 - https://doi.org/10.1063/4.0000040 SN - 2329-7778 VL - 8 PB - AIP Publishing LLC CY - Melville, NY ER - TY - JOUR A1 - Meyer, Dominique M.-A. T1 - On the bipolarity of Wolf-Rayet nebulae JF - Monthly notices of the Royal Astronomical Society N2 - Wolf-Rayet stars are amongst the rarest but also most intriguing massive stars. Their extreme stellar winds induce famous multiwavelength circumstellar gas nebulae of various morphologies, spanning from circles and rings to bipolar shapes. This study is devoted to the investigation of the formation of young, asymmetric Wolf-Rayet gas nebulae and we present a 2.5-dimensional magneto-hydrodynamical toy model for the simulation of Wolf-Rayet gas nebulae generated by wind-wind interaction. Our method accounts for stellar wind asymmetries, rotation, magnetization, evolution, and mixing of materials. It is found that the morphology of the Wolf-Rayet nebulae of blue supergiant ancestors is tightly related to the wind geometry and to the stellar phase transition time interval, generating either a broadened peanut-like or a collimated jet-like gas nebula. Radiative transfer calculations of our Wolf-Rayet nebulae for dust infrared emission at 24 mu m show that the projected diffuse emission can appear as oblate, bipolar, ellipsoidal, or ring structures. Important projection effects are at work in shaping observed Wolf-Rayet nebulae. This might call a revision of the various classifications of Wolf-Rayet shells, which are mostly based on their observed shape. Particularly, our models question the possibility of producing pre-Wolf-Rayet wind asymmetries, responsible for bipolar nebulae like NGC 6888, within the single red supergiant evolution channel scenario. We propose that bipolar Wolf-Rayet nebulae can only be formed within the red supergiant scenario by multiple/merged massive stellar systems, or by single high-mass stars undergoing additional, e.g. blue supergiant, evolutionary stages prior to the Wolf-Rayet phase. KW - MHD KW - radiative transfer KW - circumstellar matter KW - stars: massive KW - stars: KW - Wolf-Rayet Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab2426 SN - 0035-8711 SN - 1365-2966 VL - 507 IS - 4 SP - 4697 EP - 4714 PB - Oxford Univ. Press CY - Oxford ER - TY - THES A1 - Petsiuk, Andrei T1 - Investigation of charge carrier transport in metal halide perovskites by THz Spectroscopy T1 - Untersuchung des Ladungstransportes in den Metal Halogenid Perowskiten durch THz Spektroskopie N2 - 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. N2 - Metall-Halogenid Perowskite sind eine Klasse von photovoltaischen Materialien, welche in letzter Zeit sehr viel Aufmerksamkeit von Forschern bekommen haben. Der Grund dafür liegt in ihren vielversprechenden optoelektronischen Eigenschaften, wie beispielsweise hohe Absorptionskoeffizienten, lange Lebenszeiten der Ladungsträger und moderate Beweglichkeiten. Die Beweglichkeit der Ladungsträger und deren Kinetik wurde in dieser Dissertation mit Hilfe von Teraherzspektroskopie in verschiedenen Metall-Halogenide Perowskiten untersucht. Die polykristallinen Halogenide Perowskit-Dünnschichten, bereitgestellt von Dr. M. Stolterfoht von der Universität Potsdam, haben bei Raumtemperatur moderate Ladungsträgerbeweglichkeiten in einem Bereich von 21.5 bis 33.5 cm²V-1s-1. Die Analyse dieser Beweglichkeiten in Abhängigkeit der Temperatur zeigt, dass die Beweglichkeit bei Raumtemperatur durch die Interaktion mit polaren optischen Phononen limitiert wird. Bei niedrigeren Temperaturen sind die Beweglichkeiten durch Streuung an geladenen und neutralen Störstellen limitiert, wobei die Störstellenkonzentration bei ca. N =1017-1018 cm-3 liegt. Weiterhin wird es gezeigt, dass die Reduktion der Anzahl beweglicher Ladungsträger durch Exzitonenbildung ebenfalls bei niedrigen Temperaturen berücksichtigt werden muss. Streuung an akustischen Phononen kann sowohl bei Raum- als auch bei niedrigen Temperaturen vernachlässigt werden. Die Analyse der Beweglichkeitsspektren von Perowskiten mit unterschiedlichen Kationen und bei verschiedenen Temperaturspannen zeigt, dass diese Kationen einen sehr geringen Einfluss auf die Ladungsträgerbeweglichkeit haben. Niederdimensionale Perowskit-Dünnschichten aus alternierenden quasi-2D [PbI6]4− Schichten n (n=3-4) und organischen Trennschichten wurde von S. Zhang von der Universität Potsdam bereitgestellt. Diese zeigen Beweglichkeiten zwischen 3.7 und 8 cm²V-1s-1. Der signifikante Rückgang der beobachteten Beweglichkeit lässt sich auf die Anzahl der Metall-Halogeniden Schichten n zurückführen, in welcher die Ladungsträger räumlich eingeschränkt sind. Die Lokalisationslänge reicht von 0.9 bis 3.7 nm und ist vergleichbar mit der Dicke der einzelnen quasi-2D-Schichten. Ebenfalls ist die Beweglichkeit abhängig von der Schichtenorientierung. Zusätzlich ist die Ladungsträgerdynamik abhängig von der Anzahl der Metall-Halogeniden [PbI6]4−Schichten n. Dicke quasi-2D-Schichten (n = 3-4) zeigen ähnliche Dynamik wie drei dimensionale Perowskite, wogegen die dünnen quasi-2D-Schichten (n = 2) schnelle Exzitonbildung innerhalb 390 fs nach der Ladungsträgeranregung zeigen. Des weiteren wurde die Ladungsträgerdynamik von CsPbI3 Perovskite-Nanokristallen untersucht, insbesondere die Auswirkung von Ligandenaustausch und Temperierung auf die Ladungsträgerbeweglichkeit. KW - Photovoltaics KW - THz Spectroscopy KW - Metal Halide Perovskites KW - Metal Halogenid Perowskiten KW - Photovoltaik KW - THz Spektroskopie Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-515441 ER - TY - GEN A1 - Mattern, M. A1 - Pudell, Jan-Etienne A1 - Laskin, G. A1 - von Reppert, A. A1 - Bargheer, Matias T1 - Analysis of the temperature- and fluence-dependent magnetic stress in laser-excited SrRuO3 T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We use ultrafast x-ray diffraction to investigate the effect of expansive phononic and contractive magnetic stress driving the picosecond strain response of a metallic perovskite SrRuO3 thin film upon femtosecond laser excitation. We exemplify how the anisotropic bulk equilibrium thermal expansion can be used to predict the response of the thin film to ultrafast deposition of energy. It is key to consider that the laterally homogeneous laser excitation changes the strain response compared to the near-equilibrium thermal expansion because the balanced in-plane stresses suppress the Poisson stress on the picosecond timescale. We find a very large negative Grüneisen constant describing the large contractive stress imposed by a small amount of energy in the spin system. The temperature and fluence dependence of the strain response for a double-pulse excitation scheme demonstrates the saturation of the magnetic stress in the high-fluence regime. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1144 KW - Thin films KW - Thermodynamic properties KW - Bragg peak KW - Ultrafast X-ray diffraction KW - Thermal effects KW - Phonons KW - Magnetism KW - Lattice dynamics KW - Lasers KW - Perovskites Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-515718 SN - 1866-8372 ER - TY - THES A1 - Lypova, Iryna T1 - The galactic plane in gamma-rays above 10 TeV as seen with H.E.S.S. N2 - The High Energy Stereoscopic System (H.E.S.S.) is an array of five imaging atmospheric Cherenkov telescopes located in the Khomas Highland of Namibia. H.E.S.S. operates in a wide energy range from several tens of GeV to several tens of TeV, reaching the best sensitivity around 1 TeV or at lower energies. However, there are many important topics – such as the search for Galactic PeVatrons, the study of gamma-ray production scenarios for sources (hadronic vs. leptonic), EBL absorption studies – which require good sensitivity at energies above 10 TeV. This work aims at improving the sensitivity of H.E.S.S. and increasing the gamma-ray statistics at high energies. The study investigates an enlargement of the H.E.S.S. effective field of view using events with larger offset angles in the analysis. The greatest challenges in the analysis of large-offset events are a degradation of the reconstruction accuracy and a rise of the background rate as the offset angle increases. The more sophisticated direction reconstruction method (DISP) and improvements to the standard background rejection technique, which by themselves are effective ways to increase the gamma-ray statistics and improve the sensitivity of the analysis, are implemented to overcome the above-mentioned issues. As a result, the angular resolution at the preselection level is improved by 5 - 10% for events at 0.5◦ offset angle and by 20 - 30% for events at 2◦ offset angle. The background rate at large offset angles is decreased nearly to a level typical for offset angles below 2.5◦. Thereby, sensitivity improvements of 10 - 20% are achieved for the proposed analysis compared to the standard analysis at small offset angles. Developed analysis also allows for the usage of events at large offset angles up to approximately 4◦, which was not possible before. This analysis method is applied to the analysis of the Galactic plane data above 10 TeV. As a result, 40 sources out of the 78 presented in the H.E.S.S. Galactic plane survey (HGPS) are detected above 10 TeV. Among them are representatives of all source classes that are present in the HGPS catalogue; namely, binary systems, supernova remnants, pulsar wind nebulae and composite objects. The potential of the improved analysis method is demonstrated by investigating the more than 10 TeV emission for two objects: the region associated with the shell-type SNR HESS J1731−347 and the PWN candidate associated with PSR J0855−4644 that is coincident with Vela Junior (HESS J0852−463). N2 - H.E.S.S. ist eine System von fünf abbildenden atmosphärischen Cherenkov Teleskopen im Khomas-Hochland von Namibia. H.E.S.S. arbeitet in einem weiten Energiebereich von einigen zehn GeV bis zu einigen zehn TeV und erreicht die beste Sensitivität um 1TeV oder bei niedrigeren Energien. Es gibt jedoch viele wichtige Themen – wie die Suche nach galaktischen PeVatrons, die Untersuchung von Gammastrahlen-Produktionsszenarien für Quellen (hadronische vs. leptonische), EBL-Absorptionsstudien – die eine gute Sensitivität bei Energien oberhalb von 10TeV erfordern. Diese Arbeit zielt darauf ab die Sensitivität von H.E.S.S. zu verbessern und die Gammastrahlenstatistik bei Energien über 10TeV zu erhöhen. Untersucht diese Studie das effektive Gesichtsfeld von H.E.S.S. durch die Verwendung von Ereignissen mit größeren Versatzwinkeln in der Analyse (insbesondere bis zu 4° anstelle von 2.5°) zu vergrößern. Die größten Herausforderungen bei der Analyse von Ereignissen mit großem Versatzwinkeln sind eine Verschlechterung der Rekonstruktionsgenauigkeit und ein Anstieg der Hintergrundrate mit zunehmendem Versatzwinkeln. Die ausgefeiltere Richtungsrekonstruktionsmethode (DISP) und Verbesserungen der Standard-Hintergrundunterdrückungstechnik (die selbst auch wirksame Methode zur Erhöhung der Gammastrahlenstatistik und zur Verbesserung der Sensitivität der Analyse sind) sind zur Überwindung der oben genannten Probleme eingesetzt. Infolgedessen wird die Winkelauflösung auf der Vorselektionsebene um 5 - 10% für 0.5° und um 20 - 30% für 2° Versatzwinkeln verbessert. Die Hintergrundrate bei großen Versatzwinkeln wird fast auf ein Niveau gesenkt, das bei Versatzwinkeln unter 2.5° typisch ist. Letztendlich erreicht die hierentwickelte Analysis eine ein um 10 - 20% verbesserte Sensitivität bei kleinen Versatzwinkeln und erlaubt die Verwendung von Ereignissen bei großen Versatzwinkeln bis zu etwa 4°, was vorher nicht möglich war. Diese Analysemethode wird bei der Analyse der Daten der Galaktischen Ebene oberhalb von 10TeV angewandt. Als Ergebnis werden 40 der 78 Quellen, die in der H.E.S.S. Durchmusterung der Galaktischen Ebene (HGPS) vorgestellt wurden, oberhalb von 10TeV detektiert und charakterisiert. Darunter befinden sich Vertreter aller Quellklassen, die im HGPS-Katalog etabliert sind. Das Potenzial der verbesserten Analysemethode wird auch durch die Untersuchung der Emission oberhalb von 10TeV für zwei Objekte demonstriert: die Region, die mit dem Schalenüberrest SNR HESS J1731-347 assoziiert ist, und der PWN-Kandidat, der mit PSR J0855-4644 assoziiert ist und mit HESS J0852-463 zusammenfällt. KW - gamma-ray astronomy KW - H.E.S.S. KW - astroparticle physics KW - Galactic plane data analysis KW - Datenanalyse der Galaktischen Ebene KW - H.E.S.S KW - Astroteilchenphysik KW - Gammastrahlungsastronomie Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-509317 ER - TY - THES A1 - Diercke, Andrea T1 - Physical environment of large-scale high-latitude and polar crown filaments T1 - Die Physik von polaren Filamenten N2 - Filaments are omnipresent features in the solar chromosphere, one of the atmospheric layers of the Sun, which is located above the photosphere, the visible surface of the Sun. They are clouds of plasma reaching from the photosphere to the chromosphere, and even to the outer-most atmospheric layer, the corona. They are stabalized by the magnetic field. If the magnetic field is disturbed, filaments can erupt as coronal mass ejections (CME), releasing plasma into space, which can also hit the Earth. A special type of filaments are polar crown filaments, which form at the interface of the unipolar field of the poles and flux of opposite magnetic polarity, which was transported towards the poles. This flux transport is related to the global dynamo of the Sun and can therefore be analyzed indirectly with polar crown filaments. The main objective of this thesis is to better understand the physical properties and environment of high-latitude and polar crown filaments, which can be approached from two perspectives: (1) analyzing the large-scale properties of high-latitude and polar crown filaments with full-disk Hα observations from the Chromospheric Telescope (ChroTel) and (2) determining the relation of polar crown and high-latitude filaments from the chromosphere to the lower-lying photosphere with high-spatial resolution observations of the Vacuum Tower Telescope (VTT), which reveal the smallest details. The Chromospheric Telescope (ChroTel) is a small 10-cm robotic telescope at Observatorio del Teide on Tenerife (Spain), which observes the entire Sun in Hα, Ca IIK, and He I 10830 Å. We present a new calibration method that includes limb-darkening correction, removal of non-uniform filter transmission, and determination of He I Doppler velocities. Chromospheric full-disk filtergrams are often obtained with Lyot filters, which may display non-uniform transmission causing large-scale intensity variations across the solar disk. Removal of a 2D symmetric limb-darkening function from full-disk images results in a flat background. However, transmission artifacts remain and are even more distinct in these contrast-enhanced images. Zernike polynomials are uniquely appropriate to fit these large-scale intensity variations of the background. The Zernike coefficients show a distinct temporal evolution for ChroTel data, which is likely related to the telescope’s alt-azimuth mount that introduces image rotation. In addition, applying this calibration to sets of seven filtergrams that cover the He I triplet facilitates determining chromospheric Doppler velocities. To validate the method, we use three datasets with varying levels of solar activity. The Doppler velocities are benchmarked with respect to co-temporal high-resolution spectroscopic data of the GREGOR Infrared Spectrograph (GRIS). Furthermore, this technique can be applied to ChroTel Hα and Ca IIK data. The calibration method for ChroTel filtergrams can be easily adapted to other full-disk data exhibiting unwanted large-scale variations. The spectral region of the He I triplet is a primary choice for high-resolution near-infrared spectropolarimetry. Here, the improved calibration of ChroTel data will provide valuable context data. Polar crown filaments form above the polarity inversion line between the old magnetic flux of the previous cycle and the new magnetic flux of the current cycle. Studying their appearance and their properties can lead to a better understanding of the solar cycle. We use full-disk data of the ChroTel at Observatorio del Teide, Tenerife, Spain, which were taken in three different chromospheric absorption lines (Hα 6563 Å, Ca IIK 3933 Å, and He I 10830 Å), and we create synoptic maps. In addition, the spectroscopic He I data allow us to compute Doppler velocities and to create synoptic Doppler maps. ChroTel data cover the rising and decaying phase of Solar Cycle 24 on about 1000 days between 2012 and 2018. Based on these data, we automatically extract polar crown filaments with image-processing tools and study their properties. We compare contrast maps of polar crown filaments with those of quiet-Sun filaments. Furthermore, we present a super-synoptic map summarizing the entire ChroTel database. In summary, we provide statistical properties, i.e. number and location of filaments, area, and tilt angle for both the maximum and declining phase of Solar Cycle 24. This demonstrates that ChroTel provides a promising dataset to study the solar cycle. The cyclic behavior of polar crown filaments can be monitored by regular full-disk Hα observations. ChroTel provides such regular observations of the Sun in three chromospheric wavelengths. To analyze the cyclic behavior and the statistical properties of polar crown filaments, we have to extract the filaments from the images. Manual extraction is tedious, and extraction with morphological image processing tools produces a large number of false positive detections and the manual extraction of these takes too much time. Automatic object detection and extraction in a reliable manner allows us to process more data in a shorter time. We will present an overview of the ChroTel database and a proof of concept of a machine learning application, which allows us a unified extraction of, for example, filaments from ChroTel data. The chromospheric Hα spectral line dominates the spectrum of the Sun and other stars. In the stellar regime, this spectral line is already used as a powerful tracer of magnetic activity. For the Sun, other tracers are typically used to monitor solar activity. Nonetheless, the Sun is observed constantly in Hα with globally distributed ground-based full-disk imagers. The aim of this study is to introduce Hα as a tracer of solar activity and compare it to other established indicators. We discuss the newly created imaging Hα excess in the perspective of possible application for modelling of stellar atmospheres. In particular, we try to determine how constant is the mean intensity of the Hα excess and number density of low-activity regions between solar maximum and minimum. Furthermore, we investigate whether the active region coverage fraction or the changing emission strength in the active regions dominates time variability in solar Hα observations. We use ChroTel observations of full-disk Hα filtergrams and morphological image processing techniques to extract the positive and negative imaging Hα excess, for bright features (plage regions) and dark absorption features (filaments and sunspots), respectively. We describe the evolution of the Hα excess during Solar Cycle 24 and compare it to other well established tracers: the relative sunspot number, the F10.7 cm radio flux, and the Mg II index. Moreover, we discuss possible applications of the Hα excess for stellar activity diagnostics and the contamination of exoplanet transmission spectra. The positive and negative Hα excess follow the behavior of the solar activity over the course of the cycle. Thereby, positive Hα excess is closely correlated to the chromospheric Mg II index. On the other hand, the negative Hα excess, created from dark features like filaments and sunspots, is introduced as a tracer of solar activity for the first time. We investigated the mean intensity distribution for active regions for solar minimum and maximum and found that the shape of both distributions is very similar but with different amplitudes. This might be related with the relatively stable coronal temperature component during the solar cycle. Furthermore, we found that the coverage fraction of Hα excess and the Hα excess of bright features are strongly correlated, which will influence modelling of stellar and exoplanet atmospheres. High-resolution observations of polar crown and high-latitude filaments are scarce. We present a unique sample of such filaments observed in high-resolution Hα narrow-band filtergrams and broad-band images, which were obtained with a new fast camera system at the VTT. ChroTel provided full-disk context observations in Hα, Ca IIK, and He I 10830 Å. The Helioseismic and Magnetic Imager (HMI) and the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory (SDO) provided line-of-sight magnetograms and ultraviolet (UV) 1700 Å filtergrams, respectively. We study filigree in the vicinity of polar crown and high-latitude filaments and relate their locations to magnetic concentrations at the filaments’ footpoints. Bright points are a well studied phenomenon in the photosphere at low latitudes, but they were not yet studied in the quiet network close to the poles. We examine size, area, and eccentricity of bright points and find that their morphology is very similar to their counterparts at lower latitudes, but their sizes and areas are larger. Bright points at the footpoints of polar crown filaments are preferentially located at stronger magnetic flux concentrations, which are related to bright regions at the border of supergranules as observed in UV filtergrams. Examining the evolution of bright points on three consecutive days reveals that their amount increases while the filament decays, which indicates they impact the equilibrium of the cool plasma contained in filaments. N2 - Filamente sind omnipräsente Strukturen in der Chromosphäre der Sonne. Diese Schicht befindet sich über der Photosphäre, welche die sichtbare Oberfläche der Sonne darstellt. Filamente sind Plasmagebilde, welche in der Photosphäre verankert sind und von der Chromosphäre in die Korona reichen, der äußersten Atmosphärenschicht der Sonne. Diese Strukturen werden durch das Magnetfeld der Sonne stabilisiert. Durch Störungen des Magnetfelds, destabilisiert sich das Filament und das dort enthaltene Plasma kann als Sonneneruption, ein sogenannter koronaler Massenauswurf, ins Weltall geschleudert werden, welcher auch die Erde treffen könnte. Das Verständnis von Filamenten, deren Stabilität und Verbindung zum Magnetfeld sind ungemein wichtig, um Sonneneruptionen besser verstehen und vorhersagen zu können. Ein spezieller Typ von Filamenten, sind polare Filamente, (engl. polar crown filaments). Diese bilden sich an der Grenzfläche des unipolaren Magnetfelds an den Polen und dem Magnetfeld von gemischten Polaritäten in den Aktivitätsgürteln der Sonne. In letzteren werden Reste von bipolaren und zerfallenen Sonnenfleckengruppen zum Pol transportiert. Dieser Transport wird durch den Sonnendynamo initialisiert, so dass die Untersuchung polarer Filamente indirekt Rückschlüsse auf den Sonnendynamo zulässt. Die vorliegende Arbeit untersucht die polaren Filamente aus zwei Perspektiven. Zum einen aus der globalen Perspektive, bei der wir synoptische Beobachtungen der gesamten Sonnenscheibe nutzen, um das zyklische Verhalten der Filamente zu untersuchen. Zum anderen aus einer detailorientierten Perspektive, wobei wir hochaufgelöste Beobachtungen der Filamente auswerten, um mehr über die Verbindung von kühlem chromosphärischem Plasma zum Magnetfeld zu erfahren. Für die Untersuchung des zyklischen Verhaltens von polaren Filamenten nutzen wir Daten des Chromospheric Telescope (ChroTel), welches alle drei Minuten Aufnahmen der Chromosphäre in drei verschiedenen Wellenlängen macht. Die Wasserstofflinie der Balmerserie Hα ist dabei die beste Möglichkeit Filamente in der Chromosphäre abzubilden. Eine während dieser Arbeit entwickelte Methode, zum Korrigieren von Intensitätsungleichmäßigkeiten in Sonnenbildern, legt den Grundstein für alle weiteren Studien mit diesen Daten. Die Filamente können somit aus den Bildern heraus extrahiert werden und damit kann der aktuelle Sonnenzyklus zwischen Maximum und Minimum untersucht werden. Wir konnten die Wanderung der polaren Filamente für den Sonnenzyklus 24 in den Daten lokalisieren und die polwärtsgerichtete Geschwindigkeit bestimmen, welche wir mit vorherigen Ergebnissen verglichen haben. Da die morphologischen Bildbearbeitungsmethode, welche wir zur Extraktion der Filamente benutzt haben, auch andere Strukturen, wie Sonnenflecken nicht ausschließen konnte, haben wir neue Methoden entwickelt, die auf Maschinellem Lernen mit tiefen neuronalen Netzwerken beruhen. Die vorläufigen Ergebnisse sind sehr vielversprechend und auch auf Hα Bildern von anderen Teleskopen leicht übertragbar. Für die Untersuchung der polaren Filamente mit hochaufgelösten Bildern verwenden wir Beobachtungen vom Vakuumturmteleskop (VTT) auf Teneriffa, Spanien. Die Bilder wurden mit Hα Schmal- und Breitbandfiltern aufgenommen und zeigen sowohl die Chromosphäre als auch die Photosphäre. Wir untersuchen dabei die kleinsten auflösbaren Aufhellungen, (engl. bright points), welche in Verbindung mit dem Magnetfeld stehen. Diese kleinskaligen Aufhellungen finden wir vor allem an den Fußpunktregionen der Filamente, die mit starken Konzentrationen vom Magnetfeld korrelieren. Solche hellen Punkte in der Nähe von polaren Filamenten wurden bisher nie mit hochaufgelösten Beobachtungen untersucht. Die statistische Auswertung dieser Strukturen zeigt, dass sie sich kaum von ihren äquatornahen Gegenstücken unterscheiden, mit Ausnahme einer tendenziell größeren Fläche. KW - Solar Physics KW - Sonnenphysik KW - Filaments KW - Filamente KW - Chromosphere KW - Chromosphäre Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-511301 ER - TY - THES A1 - Jonic, Sanja T1 - Constraining black hole growth across cosmic time T1 - Einschränkung des Wachstums von Schwarzen Löchern über die kosmische Zeit hinweg BT - the faintest active galactic nuclei BT - die schwächsten aktiven galaktischen Kerne N2 - Active Galactic Nuclei (AGN) are considered to be the main powering source of active galaxies, where central Super Massive Black Holes (SMBHs), with masses between 106 and 109 M⊙ gravitationally pull the surrounding material via accre- tion. AGN phenomenon expands over a very wide range of luminosities, from the most luminous high-redshift quasars (QSOs), to the local Low-Luminosity AGN (LLAGN), with significantly weaker luminosities. While "typical" luminous AGNs distinguish themselves by their characteristical blue featureless continuum, the Broad Emission Lines (BELs) with Full Widths at Half Maximum (FWHM) in order of few thousands km s1, arising from the so-called Broad Line Region (BLR), and strong radio and/or X-ray emission, detection of LLAGNs on the other hand is quite chal- lenging due to their extremely weak emission lines, and absence of the power-law continuum. In order to fully understand AGN evolution and their duty-cycles across cosmic history, we need a proper knowledge of AGN phenomenon at all luminosi- ties and redshifts, as well as perspectives from different wavelength bands. In this thesis I present a search for AGN signatures in central spectra of 542 local (0.005 < z < 0.03) galaxies from the Calar Alto Legacy Integral Field Area (CALIFA) survey. The adopted aperture of 3′′ × 3′′ corresponds to central ∼ 100 − 500 pc for the redshift range of CALIFA. Using the standard emission-line ratio diagnostic diagrams, we initially classified all CALIFA emission-line galaxies (526) into star- forming, LINER-like, Seyfert 2 and intermediates. We further detected signatures of the broad Hα component in 89 spectra from the sample, of which more than 60% are present in the central spectra of LINER-like galaxies. These BELs are very weak, with luminosities in range 1038 − 1041 erg s−1, but with FWHMs between 1000 km s−1 and 6000 km s−1, comparable to those of luminous high-z AGN. This result implies that type 1 AGN are in fact quite frequent in the local Universe. We also identified additional 29 Seyfert 2 galaxies using the emission-line ratio diagnostic diagrams. Using the MBH − σ∗ correlation, we estimated black hole masses of 55 type 1 AGN from CALIFA, a sample for which we had estimates of bulge stellar velocity dispersions σ∗. We compared these masses to the ones that we estimated from the virial method and found large discrepancies. We analyzed the validity of both meth- ods for black hole mass estimation of local LLAGN, and concluded that most likely virial scaling relations can no longer be applied as a valid MBH estimator in such low-luminosity regime. These black holes accrete at very low rate, having Edding- ton ratios in range 4.1 × 10−5 − 2.4 × 10−3. Detection of BELs with such low lumi- nosities and at such low Eddington rates implies that these LLAGN are still able to form the BLR, although with probably modified structure of the central engine. In order to obtain full picture of black hole growth across cosmic time, it is es- sential that we study them in different stages of their activity. For that purpose, we estimated the broad AGN Luminosity Function (AGNLF) of our entire type 1 AGN sample using the 1/Vmax method. The shape of AGNLF indicates an apparent flattening below luminosities LHα ∼ 1039 erg s−1. Correspondingly we estimated ac- tive Black Hole Mass Function (BHMF) and Eddington Ration Distribution Function (ERDF) for a sub-sample of type 1 AGN for which we have MBH and λ estimates. The flattening is also present in both BHMF and ERDF, around log(MBH) ∼ 7.7 and log(λ) < 3, respectively. We estimated the fraction of active SMBHs in CALIFA by comparing our active BHMF to the one of the local quiescent SMBHs. The shape of the active fraction which decreases with increasing MBH, as well as the flattening of AGNLF, BHMF and ERDF is consistent with scenario of AGN cosmic downsizing. To complete AGN census in the CALIFA galaxy sample, it is necessary to search for them in various wavelength bands. For the purpose of completing the census we performed cross-correlations between all 542 CALIFA galaxies and multiwavelength surveys, Swift – BAT 105 month catalogue (in hard 15 - 195 keV X-ray band), and NRAO VLA Sky Survey (NVSS, in 1.4 GHz radio domain). This added 1 new AGN candidate in X-ray, and 7 in radio wavelength band to our local LLAGN count. It is possible to detect AGN emission signatures within 10 – 20 kpc outside of the central galactic regions. This may happen when the central AGN has recently switched off and the photoionized material is spread across the galaxy within the light-travel-time, or the photoionized material is blown away from the nucleus by outflows. In order to detect these extended AGN regions we constructed spatially resolved emission-line ratio diagnostic diagrams of all emission-line galaxies from the CALIFA, and found 1 new object that was previously not identified as AGN. Obtaining the complete AGN census in CALIFA, with five different AGN types, showed that LLAGN contribute a significant fraction of 24% of the emission-line galaxies in the CALIFA sample. This result implies that AGN are quite common in the local Universe, and although being in very low activity stage, they contribute to large fraction of all local SMBHs. Within this thesis we approached the upper limit of AGN fraction in the local Universe and gained some deeper understanding of the LLAGN phenomenon. N2 - Aktive galaktische Kerne (Active Galactic Nuclei - AGN) gelten als die Hauptantriebsquelle für aktive Galaxien, bei denen zentrale supermassive schwarze Löcher (Supermassive Black Holes - SMBHs), mit Massen zwischen 106 und 109 M☉, umgebendes Material durch Akkretion ziehen. Das AGN-Phänomen erstreckt sich � uber sehr weite Reiche von Leuchtdichten, von den leuchtendsten Quasaren mit hoher Rotverschiebung z, bis zum lokalen AGN mit niedriger Leuchtkraft (Low-Luminosity AGN - LLAGN). Die "typische" leuchtende AGNs auszeichnen sich durch ihr charakteristisches blaues Kontinuum ohne Merkmale, die breite Emissionslinien in der Größenordnung von einigen Tausend km s-1, und der starken Radio- und/oder Röntgenemission. Aufgrund extrem schwachen Emissionslinien der LLAGN, und des Fehlens des power-law Kontinuum sind LLAGN schwer zu erkennen. Um die AGN-Evolution und ihre Arbeitszyklen in der kosmischen Geschichte vollständig zu verstehen, benötigen wir eine genaue Kenntnis des AGN-Phänomens bei allen Leuchtdichten und Rotverschiebungen sowie Perspektiven aus verschiedenen Wellenlängenbändern. In dieser Arbeit stelle ich eine Suche nach AGN-Signaturen in zentralen Spektren von 542 lokalen (0.005 < z < 0.03) Galaxien aus der CALIFA-survey (Calar Alto Legacy Integral Field Area) vor. Unter Verwendung der Standarddiagnosediagramme f� ur das Emissionslinienverh� altnis haben wir zun� achst alle CALIFA-Emissionsliniengalaxien (526) in sternbildende, LINER-ähnliche, Seyfert 2 und Zwischenprodukte eingeteilt. Wir haben ferner Signaturen der breiten Hα -Komponente in 89 zentralen Spektren entdeckt, von denen mehr als 60% in den zentralen Spektren von LINER-ähnlichen Galaxien vorhanden sind. Diese Linien sind sehr schwach, mit Leuchtdichten im Bereich von 1038 - 1041 erg s-1, aber mit Breiten zwischen 1000 km s-1 und 6000 km s-1, vergleichbar mit denen von leuchtendem Hoch-z AGN. Dieses Ergebnis impliziert, dass Typ 1 AGN im lokalen Universum tatsächlich ziemlich häufig sind. Wir haben auch zus� atzliche 29 Seyfert 2 Galaxien mithilfe der Diagnosediagramme des Emissionslinienverhältnisses identifiziert. Unter Verwendung der MBH - σ* Korrelation schätzten wir die Schwarzlochmassen von 55 Typ 1 AGN aus CALIFA. Wir haben diese Massen mit denen verglichen, die wir anhand der Virialmethode geschätzt haben, und dort große Diskrepanzen festgestellt. Wir analysierten die G� ultigkeit beider Methoden zur Schätzung der Schwarzlochmasse MBH von lokalem LLAGN und kamen zu dem Schluss, dass die wahrscheinlichsten viralen Skalierungsbeziehungen in einem solchen Regime mit geringer Leuchtkraft nicht mehr g� ultig sind. Diese SMBHs haben auch sehr niedrige Eddington-Verhältnisse (im Bereich von 4.1 x 10-5 - 2.4 x 10-3). Der Nachweis von BELs mit so geringen Leuchtdichten und so niedrigen Eddington-Raten impliziert, dass diese LLAGN immer noch in der Lage sind, das BLR zu bilden, obwohl die Struktur der Zentralmaschine wahrscheinlich modifiziert ist. Um ein vollständiges Bild des Wachstums der SMBHs � uber die kosmische Zeit zu erhalten, ist es wichtig, dass wir sie in verschiedenen Stadien ihrer Aktivität untersuchen. Zu diesem Zweck haben wir die breite AGN-Leuchtkraftfunktion unserer Typ 1 AGN geschätzt. Die Form von Leuchtkraftfunktion zeigt eine scheinbare Abflachung unter den Leuchtdichten LHα ~ 1039 erg s-1 an. Entsprechend haben wir die aktive Schwarzlochmassenfunktion und die Eddington-Rationsverteilungsfunktion auch gesch� atzt. In diesen Verteilungen ist auch eine Abflachung vorhanden, und das stimmt mit dem Szenario der kosmischen Verkleinerung von AGN überein. Um den AGN-Zensus in der CALIFA-Galaxienprobe abzuschließen, müssen sie in verschiedenenWellenlängenbändern gesucht werden. Deswegen führten wir Kreuzkorrelationen zwischen CALIFA-Galaxien und Multiwellenlängen-Vermessungen, Swift - BAT 105-Monats-Katalog (im harten Röntgenband) und NVSS (im Radiobereich). Dies fügte unserer lokalen LLAGN-Zahl 1 neuen AGN-Kandidaten im Röntgenbereich und 7 im Radiowellenlängenband hinzu. Es ist möglich, AGN-Emissionssignaturen außerhalb der zentralen galaktischen Regionen zu erfassen. Dies kann passieren, wenn das zentrale AGN kürzlich abgeschaltet wurde und das AGN Material innerhalb der Lichtlaufzeit über die Galaxie verteilt ist, oder das photoionisierte Material durch Abflüsse vom Kern weggeblasen wird. Um diese erweiterten AGN-Regionen zu erfassen, haben wir räumlich aufgelöste Diagnosediagramme für das Emissionslinienverhältnis erstellt und 1 neues Objekt gefunden, das zuvor nicht als AGN identifiziert wurde. Der vollständige AGN-Zensus in CALIFA ergab, dass LLAGN einen signifikanten Anteil von 24% der Emissionsliniengalaxien in der CALIFA ausmacht. Dieses Ergebnis impliziert, dass AGN im lokalen Universum weit verbreitet sind und, obwohl sie sich in einem sehr niedrigen Aktivitätsstadium befinden. In dieser Arbeit näherten wir uns der Obergrenze der AGN-Fraktion im lokalen Universum und erhielten ein tieferes Verständnis des LLAGN-Phänomens. KW - active galactic nuclei KW - black holes KW - black hole demographics KW - aktive galaktische Kerne KW - Schwarze Löcher KW - Demografie des Schwarzen Lochs KW - supermassive black holes KW - supermassereiche Schwarze Löcher KW - galaxy evolution KW - Galaxienentwicklung KW - integral field spectroscopy KW - Integralfieldspektroskopie Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-509753 ER - TY - GEN A1 - Zeuschner, S. P. A1 - Mattern, M. A1 - Pudell, Jan-Etienne A1 - von Reppert, A. A1 - Rössle, M. A1 - Leitenberger, Wolfram A1 - Schwarzkopf, J. A1 - Boschker, J. E. A1 - Herzog, Marc A1 - Bargheer, Matias T1 - Reciprocal space slicing BT - a time-efficient approach to femtosecond x-ray diffraction T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - An experimental technique that allows faster assessment of out-of-plane strain dynamics of thin film heterostructures via x-ray diffraction is presented. In contrast to conventional high-speed reciprocal space-mapping setups, our approach reduces the measurement time drastically due to a fixed measurement geometry with a position-sensitive detector. This means that neither the incident (ω) nor the exit (2θ) diffraction angle is scanned during the strain assessment via x-ray diffraction. Shifts of diffraction peaks on the fixed x-ray area detector originate from an out-of-plane strain within the sample. Quantitative strain assessment requires the determination of a factor relating the observed shift to the change in the reciprocal lattice vector. The factor depends only on the widths of the peak along certain directions in reciprocal space, the diffraction angle of the studied reflection, and the resolution of the instrumental setup. We provide a full theoretical explanation and exemplify the concept with picosecond strain dynamics of a thin layer of NbO2. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1137 Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-499761 SN - 1866-8372 IS - 1137 ER - TY - THES A1 - Lepro, Valentino T1 - Experimental and theoretical study on amoeboid cell-cargo active motion BT - a physical analysis of cell-mediated particle transport N2 - 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. N2 - Im Zuge der fortschreitenden gesellschaftlichen Entwicklung hin zur Miniaturisierung und Präzisionsmedizin, gewinnen Fragen zu Antrieb und zielgerichtetem Transport auf der Mikrometerskala zunehmend an Bedeutung, nicht zuletzt wegen ihres kaum zu unterschätzendem Potentials für Medizin und Technik. Eine vielversprechende Strategie, um den zielgerichteten Transport von Objekten auf der Mikrometerskala, wie zum Beispiel Biosensoren oder mit Medikamenten beladene Mikropartikel, zu bewerkstelligen, ist die Verwendung von lebenden Zellen als intelligenten, biochemisch angetriebenen Transportern. Zellen und Mikroobjekte bilden dabei gemeinsam sogenannte Bio-Hybridsysteme. Inspiriert von Leukozyten - nativen Zellen lebender Organismen, welche sich effizient zu kritischen Zielen, wie Tumorgewebe, bewegen - besteht ein neues Konzept darin, die amöboide Fortbewegung solcher Zellen für den Medikamententransport zu nutzen. Im Rahmen dieser Doktorarbeit kamen experimentelle, numerische und theoretische Modellierungsansätze zum Einsatz, um die Eigenschaften und Transportmechanismen eines neuen Bio-Hybridsystems für den aktiven Transport von Objekten auf der Mikrometerskala zu untersuchen. Dieses Bio-Hybridsystem wird im Folgenden als Zelltransporter bezeichnet. Ein Zelltransporter besteht aus einer sich amöboid fortbewegenden Zelle, dem Transporter, und einem Mikropartikel, der Fracht, welche idealerweise mit Medikamenten für therapeutische Zwecke beladen sein kann. Für die experimentellen Untersuchungen wurde die Amöbe Dictyostelium discoideum als Transporter verwendet. Sie ist ein bekannter Modellorganismus für die Leukozytenmigration und für die Motilität eukaryotischer Zellen im Allgemeinem. Die durchgeführten Experimente zeigten eine komplexe, periodische Zell-Fracht-Relativbewegung, zusammen mit einer intermittierenden Motilität des gesamten Zelltransporters. Die experimentellen Beobachtungen weisen darauf hin, dass die Anwesenheit der Fracht als mechanischer Stimulus auf die amöboide Zelle wirkt und zur Zellpolarisation führt, was wiederum die Zellmotilität fördert und die intermittierende Dynamik des Zelltransportes begründet. So wurde festgestellt, dass das Auftreten der Polarisation des Zytoskeletts entlang der Zell-Fracht-Achse von den geometrischen Merkmalen der Fracht, wie zum Beispiel des Partikeldurchmessers, abhängt. Insgesamt wiesen die gesammelten experimentellen Daten auf eine zentrale Rolle der Zell-Fracht-Wechselwirkungen in der Bewegungsdynamik von Zelltransportern hin. Insbesondere kann die Zell-Fracht-Wechselwirkung die Transportfähigkeiten von amöboiden Zellen erheblich beeinflussen, da die Größe der Fracht die Aktivität des Zytoskeletts und die Repolarisationsdynamik entlang der Zell-Fracht-Achse modelliert, wobei letzteres für die Verlagerung und Neuorientierung des Zelltransportes verantwortlich ist. Darüber hinaus wurde eine Modellierung entwickelt, welche auf den experimentellen Erkenntnissen zum Verhalten der Zelltransporter aufbaut und die relative Dynamik auf Zelltranporterebene, mit der tatsächlichen Partikeltransportdynamik verbindet. Tatsächlich reproduzierten numerische Simulationen des vorgeschlagenen Modells erfolgreich die Phänomenologie des Zell-Fracht-Systems und ermöglichten gleichzeitig die Vorhersage der Transporteigenschaften von Zelltransportern über größere räumliche und zeitliche Skalen. Des Weiteren liefert die theoretische Analyse ein tieferes Verständnis der Rolle der Zell-Fracht-Wechselwirkung beim Massentransport und zeigte insbesondere, wie die Langzeittransporteffizienz durch das Zusammenspiel von Persistenzzeit der Zellpolarität und den Zeitskalen der relativen Dynamik, welche sich aus der Zell-Fracht-Interaktion ergeben, bestimmt wird. Interessanterweise sagt das Modell die Existenz einer optimalen Frachtgröße voraus, wodurch die Diffusivität von Zelltransportern maximiert wird. Dies steht im Einklang mit früheren, unabhängigen experimentellen Daten, für die es vor dieser Studie keine Erklärung gab. Zusammenfassend lässt sich sagen, dass die vorliegende Forschungsarbeit Licht auf die Bedeutung von Transporter-Fracht-Wechselwirkungen, beim Partikeltransports mittels amöboider Zellen, wirft und eine breite Grundlage für die Analyse und Modellierung komplexer Bio-Hybridsysteme und deren perspektivische Optimierung schafft. KW - biophysics KW - bio-hybrid system KW - particle transport KW - active transport KW - amoeboid motion KW - Biophysik KW - Bio-Hybridsystem KW - Partikeltransport KW - aktiven Transport KW - amöboide Bewegung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-490890 ER - TY - GEN A1 - Thapa, Samudrajit A1 - Wyłomańska, Agnieszka A1 - Sikora, Grzegorz A1 - Wagner, Caroline E. A1 - Krapf, Diego A1 - Kantz, Holger A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Leveraging large-deviation statistics to decipher the stochastic properties of measured trajectories T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Extensive time-series encoding the position of particles such as viruses, vesicles, or individualproteins are routinely garnered insingle-particle tracking experiments or supercomputing studies.They contain vital clues on how viruses spread or drugs may be delivered in biological cells.Similar time-series are being recorded of stock values in financial markets and of climate data.Such time-series are most typically evaluated in terms of time-averaged mean-squareddisplacements (TAMSDs), which remain random variables for finite measurement times. Theirstatistical properties are different for differentphysical stochastic processes, thus allowing us toextract valuable information on the stochastic process itself. To exploit the full potential of thestatistical information encoded in measured time-series we here propose an easy-to-implementand computationally inexpensive new methodology, based on deviations of the TAMSD from itsensemble average counterpart. Specifically, we use the upper bound of these deviations forBrownian motion (BM) to check the applicability of this approach to simulated and real data sets.By comparing the probability of deviations fordifferent data sets, we demonstrate how thetheoretical bound for BM reveals additional information about observed stochastic processes. Weapply the large-deviation method to data sets of tracer beads tracked in aqueous solution, tracerbeads measured in mucin hydrogels, and of geographic surface temperature anomalies. Ouranalysis shows how the large-deviation properties can be efficiently used as a simple yet effectiveroutine test to reject the BM hypothesis and unveil relevant information on statistical propertiessuch as ergodicity breaking and short-time correlations. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1118 KW - diffusion KW - anomalous diffusion KW - large-deviation statistic KW - time-averaged mean squared displacement KW - Chebyshev inequality Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-493494 SN - 1866-8372 IS - 1118 ER - TY - THES A1 - Arvind, Malavika T1 - Regarding the role of aggregation and structural order on the mechanism of molecular doping of semiconducting polymers T1 - Die Rolle von Aggregation und struktureller Ordnung auf den Mechanismus der molekularen Dotierung von halbleitenden Polymeren BT - from solutions to films BT - von Lösungen zu Filmen N2 - Polymeric semiconductors are strong contenders for replacing traditional inorganic semiconductors in electronic applications requiring low power, low cost and flexibility, such as biosensors, flexible solar cells and electronic displays. Molecular doping has the potential to enable this revolution by improving the conductivity and charge transport properties of this class of materials. Despite decades of research in this field, gaps in our understanding of the nature of dopant–polymer interactions has resulted in limited commercialization of this technology. This work aims at providing a deeper insight into the underlying mechanisms of molecular p-doping of semiconducting polymers in the solution and solid-state, and thereby bring the scientific community closer to realizing the dream of making organic semiconductors commonplace in the electronics industry. The role of 1) dopant size/shape, 2) polymer chain aggregation and 3) charge delocalization on the doping mechanism and efficiency is addressed using optical (UV-Vis-NIR) and electron paramagnetic resonance (EPR) spectroscopies. By conducting a comprehensive study of the nature and concentration of the doping-induced species in solutions of the polymer poly(3-hexylthiophene) (P3HT) with 3 different dopants, we identify the unique optical signatures of the delocalized polaron, localized polaron and charge-transfer complex, and report their extinction coefficient values. Furthermore, with X-ray diffraction, atomic force microscopy and electrical conductivity measurements, we study the impact of processing technique and doping mechanism on the morphology and thereby, charge transport through the doped films. This work demonstrates that the doping mechanism and type of doping-induced species formed are strongly influenced by the polymer backbone arrangement rather than dopant shape/size. The ability of the polymer chain to aggregate is found to be crucial for efficient charge transfer (ionization) and polaron delocalization. At the same time, our results suggest that the high ionization efficiency of a dopant–polymer system in solution may subsequently hinder efficient charge transport in the solid-state due to the reduction in the fraction of tie chains, which enable charges to move efficiently between aggregated domains in the films. This study demonstrates the complex multifaceted nature of polymer doping while providing important hints for the future design of dopant-host systems and film fabrication techniques. N2 - Polymer-Halbleiter sind vielversprechende Kandidaten für den Ersatz traditioneller anorganischer Halbleiter in elektronischen Anwendungen, die einen geringen Stromverbrauch, niedrige Kosten und mechanische Flexibilität erfordern, wie z.B. Biosensoren, flexible Solarzellen und elektronische Bildschirme. Molekulare Dotierung hat das Potenzial, diese Revolution zu ermöglichen, indem sie die Leitfähigkeit und die Ladungstransporteigenschaften dieser Materialklasse verbessert. Trotz jahrzehntelanger Forschung auf diesem Gebiet hat das unvollständige Verständnis der Dotierstoff-Polymer-Wechselwirkungen nur zu einer begrenzten Kommerzialisierung dieser Technologie geführt.Ziel dieser Arbeit ist es, einen tieferen Einblick in die zugrunde liegenden Mechanismen der molekularen p-Dotierung von halbleitenden Polymeren in Lösung und im festen Zustand zu geben und dadurch die wissenschaftliche Gemeinschaft näher an die Verwirklichung des Traums heran zu bringen, organische Halbleiter in der Elektronikindustrie alltäglich zu machen. Diese Arbeit zeigt, dass der Dotierungsmechanismus und die Art der gebildeten, dotierungsinduzierten Spezies eher durch die Anordnung des Polymerrückgrats als durch die Form/Größe des Dotierstoffs beeinflusst werden. Die Fähigkeit der Polymerkette, zu aggregieren, stellt sich als entscheidend für einen effizienten Ladungstransfer (d.h. Ionisierung) und die Polaron-Delokalisierung heraus. Gleichzeitig deuten unsere Ergebnisse darauf hin, dass die hohe Ionisationseffizienz eines Dotierstoff-Polymersystems in der Lösung eine Beinträchtigung des effizienten Ladungstransport im festen Zustand nach sich ziehen kann, da der Anteil der Verbindungsketten, die eine effiziente Bewegung von Ladungen zwischen aggregierten Domänen in dünnen Filmen ermöglichen, reduziert wird. Diese Arbeit verdeutlicht die komplexe, vielschichtige Natur der Polymerdotierung und gibt dabei wichtige Hinweise für das zukünftige Design von Dotierstoff-Wirtssystemen und Filmherstellungstechniken. KW - molecular doping KW - organic semiconductors KW - Lewis acid doping KW - optical spectroscopy KW - thin films KW - semiconducting polymer KW - conductivity KW - dip doping KW - polymer aggregation KW - Dotierung KW - Polymer-Halbleiter KW - Leitfähigkeit KW - Lewis-Säure Dotierung KW - organische Halbleiter KW - Polymeraggregation KW - halbleitendes Polymer KW - Dünn film KW - optische Spektroskopie KW - molekulare Dotierung KW - Dip-Dotierung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-500606 ER - TY - THES A1 - Fritzewski, Dario Jasper T1 - From fast to slow rotation in the open clusters NGC 2516 and NGC 3532 T1 - Der Übergang von schneller zu langsamer Rotation in den offenen Sternhaufen NGC 2516 und NGC 3532 N2 - Angular momentum is a particularly sensitive probe into stellar evolution because it changes significantly over the main sequence life of a star. In this thesis, I focus on young main sequence stars of which some feature a rapid evolution in their rotation rates. This transition from fast to slow rotation is inadequately explored observationally and this work aims to provide insights into the properties and time scales but also investigates stellar rotation in young open clusters in general. I focus on the two open clusters NGC 2516 and NGC 3532 which are ~150 Myr (zero-age main sequence age) and ~300 Myr old, respectively. From 42 d-long time series photometry obtained at the Cerro Tololo Inter-American Observatory, I determine stellar rotation periods in both clusters. With accompanying low resolution spectroscopy, I measure radial velocities and chromospheric emission for NGC 3532, the former to establish a clean membership and the latter to probe the rotation-activity connection. The rotation period distribution derived for NGC 2516 is identical to that of four other coeval open clusters, including the Pleiades, which shows the universality of stellar rotation at the zero-age main sequence. Among the similarities (with the Pleiades) the "extended slow rotator sequence" is a new, universal, yet sparse, feature in the colour-period diagrams of open clusters. From a membership study, I find NGC 3532 to be one of the richest nearby open clusters with 660 confirmed radial velocity members and to be slightly sub-solar in metallicity. The stellar rotation periods for NGC 3532 are the first published for a 300 Myr-old open cluster, a key age to understand the transition from fast to slow rotation. The fast rotators at this age have significantly evolved beyond what is observed in NGC 2516 which allows to estimate the spin-down timescale and to explore the issues that angular momentum models have in describing this transition. The transitional sequence is also clearly identified in a colour-activity diagram of stars in NGC 3532. The synergies of the chromospheric activity and the rotation periods allow to understand the colour-activity-rotation connection for NGC 3532 in unprecedented detail and to estimate additional rotation periods for members of NGC 3532, including stars on the "extended slow rotator sequence". In conclusion, this thesis probes the transition from fast to slow rotation but has also more general implications for the angular momentum evolution of young open clusters. N2 - Entgegen anderer Parameter ändert sich der Drehimpuls von kühlen Hauptreihensternen stark und eignet sich daher gut zur Untersuchung der Sternentwicklung. In dieser Arbeit fokussiere ich mich auf junge Hauptreihensterne, von denen einige einen ausgeprägten Übergang in ihren Rotationsperioden aufweisen. Dieser Übergang von schneller zu langsamer Rotation ist empirisch nur unzureichend erforscht und diese Arbeit zielt darauf ab, Einblicke in seine Eigenschaften und Zeitskalen zu geben, sie untersucht aber auch die stellare Rotation in jungen offenen Sternhaufen im Allgemeinen. Ich konzentriere mich auf die beiden offenen Sternhaufen NGC 2516 und NGC 3532, die ~150 Myr (Nullalter-Hauptreihe) bzw. ~300 Myr alt sind. Aus einer 42 Tage langen photometrischen Zeitreihe, die am Cerro Tololo Inter-American Observatory gewonnen wurde, bestimme ich Rotationsperioden in beiden Sternhaufen. Darüber hinaus messe ich mit niedrig auflösender Spektroskopie Radialgeschwindigkeiten und die chromosphärische Emission für Sterne in NGC 3532, erstere um eine sichere Mitgliedschaft zu etablieren und letztere um den Zusammenhang zwischen Rotation und Aktivität zu untersuchen. Die für NGC 2516 abgeleitete Rotationsperiodenverteilung ist identisch mit der von vier anderen gleichaltrigen offenen Sternhaufen, einschließlich der Plejaden, was die Gleichheit und Grundsätzlichkeit der Sternrotation auf der Nullalter-Hauptreihe zeigt. Neben den Ähnlichkeiten (mit den Plejaden) ist die "extended slow rotator sequence" ein neues, universelles, aber seltenes Merkmal in den Farben-Perioden-Diagrammen offener Sternhaufen. Aus einer Mitgliedschaftsstudie geht hervor, dass NGC 3532 mit 660 bestätigten Radialgeschwindigkeitsmitgliedern einer der größten nahen offenen Sternhaufen ist. Zudem weist er eine leicht sub-solare Metallizität auf. Die Rotationsperioden für NGC 3532 sind die ersten, die für einen 300 Myr alten offenen Sternhaufen veröffentlicht wurden, ein wichtiges Alter, um den Übergang von schneller zu langsamer Rotation zu verstehen. Die schnellen Rotatoren in diesem Alter sind deutlich weiter entwickelt als in NGC 2516 beobachtet, was es erlaubt, die Zeitskala für den Drehimpulsverlust abzuschätzen und die Probleme zu untersuchen, die Drehimpulsmodelle bei der Beschreibung dieses Übergangs haben. Die Übergangssequenz ist auch in einem Farben-Aktivitäts-Diagramm von Sternen in NGC 3532 deutlich zu erkennen. Die Synergien zwischen der chromosphärischen Aktivität und den Rotationsperioden erlauben es, den Zusammenhang zwischen intrinsischer Farbe, Aktivität und Rotation für NGC 3532 in einzigartigem Detail zu verstehen und zusätzliche Rotationsperioden für Mitglieder von NGC 3532 abzuschätzen, einschließlich der Sterne auf der "extended slow rotator sequence". Zusammenfassend untersucht diese Arbeit den Übergang von schneller zu langsamer Rotation, hat aber auch allgemeinere Implikationen für die Drehimpulsentwicklung von jungen offenen Sternhaufen. KW - Astronomy KW - Astrophysics KW - cool stars KW - angular momentum loss KW - stellar rotation KW - photometry KW - spectroscopy KW - gyrochronology KW - chromospheric activity KW - stellar activity KW - open cluster KW - NGC 2516 KW - NGC 3532 KW - Astronomie KW - Astrophysik KW - NGC 2516 KW - NGC 3532 KW - Drehimpulsverlust KW - chromospherische Aktivität KW - kühle Sterne KW - Gyrochronologie KW - offener Sternhaufen KW - Photometrie KW - Spektroskopie KW - stellare Aktivität KW - stellare Rotation Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-531356 ER - TY - JOUR A1 - Kluge, Lucas A1 - Schewe, Jacob T1 - Evaluation and extension of the radiation model for internal migration JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - Human migration is often studied using gravity models. These models, however, have known limitations, including analytic inconsistencies and a dependence on empirical data to calibrate multiple parameters for the region of interest. Overcoming these limitations, the radiation model has been proposed as an alternative, universal approach to predicting different forms of human mobility, but has not been adopted for studying migration. Here we show, using data on within-country migration from the USA and Mexico, that the radiation model systematically underpredicts long-range moves, while the traditional gravity model performs well for large distances. The universal opportunity model, an extension of the radiation model, shows an improved fit of long-range moves compared to the original radiation model, but at the cost of introducing two additional parameters. We propose a more parsimonious extension of the radiation model that introduces a single parameter. We demonstrate that it fits the data over the full distance spectrum and also-unlike the universal opportunity model-preserves the analytical property of the original radiation model of being equivalent to a gravity model in the limit of a uniform population distribution. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.054311 SN - 2470-0045 SN - 2470-0053 SN - 2470-0061 VL - 104 IS - 5 PB - American Physical Society CY - College Park ER - TY - THES A1 - Bouma, Sietske T1 - The circum- and intergalactic medium and its connection to the large scale structure in the nearby universe T1 - Das zirkum- und intergalaktisches Medium und sein Zusammenhang mit der großräumigen Struktur im dem nahen Universum N2 - The majority of baryons in the Universe is believed to reside in the intergalactic medium (IGM). This makes the IGM an important component in understanding cosmological structure formation. It is expected to trace the same dark matter distribution as galaxies, forming structures like filaments and clusters. However, whereas galaxies can be observed to be arranged along these large-scale structures, the spatial distribution of the diffuse IGM is not as easily unveiled. Absorption line studies of quasar (QSO) spectra can help with mapping the IGM, as well as the boundary layer between IGM and galaxies: the circumgalactic medium (CGM). By studying gas in the Local Group, as well as in the IGM, this study aims to get a better understanding of how the gas is linked to the large-scale structure of the local Universe and the galaxies residing in that structure. Chapter 1 gives an introduction to the CGM and IGM, while the methods used in this study are explained in Chapter 2. Chapter 3 starts on a relatively small cosmological scale, namely that of our Local Group, which includes i.a. the Milky Way (MW) and the M31. Within the CGM of the MW, there exist denser clouds, some of which are infalling while others are moving away from the Galactic disc. To study these clouds, 29 QSO spectra obtained with the Cosmic Origins Spectrograph (COS) aboard the Hubble Space Telescope (HST) were analysed. Abundances of Si II, Si III, Si IV, C II, and C IV were measured for 69 HVCs belonging to two samples: one in the direction of the LG’s barycentre and the other in the anti-barycentre direction. Their velocities range from -100 ≥ vLSR ≥ -400 km/s for the barycentre sample and between +100 ≤ vLSR ≤ +300 km/s for the anti-barycentre sample. By using Cloudy models, these data could then be used to derive gas volume densities for the HVCs. Because of the relationship between density and pressure of the ambient medium, which is in turn determined by the Galactic radiation field, the distances of the HVCs could be estimated. From this, a subsample of absorbers located in the direction of M31 was found to exist outside of the MW’s virial radius, their low densities (log nH ≤ -3.54) making it likely for them to be part of the gas in between the MW and M31. No such low-density absorbers were found in the anti-barycentre sample. Our results thus hint at gas following the dark matter potential, which would be deeper between the MW and M31 as they are by far the most massive members of the LG. From this bridge of gas in the LG, this study zooms out to the large-scale structure of the local Universe (z ~ 0) in Chapter 4. Galaxy data from the V8k catalogue and QSO spectra from COS were used to study the relation between the galaxies tracing large-scale filaments and the gas existing outside of those galaxies. This study used the filaments defined in Courtois et al. (2013). A total of 587 Lyman α (Lyα) absorbers were found in the 302 QSO spectra in the velocity range 1070 - 6700 km/s. After selecting sightlines passing through or close to these filaments, model spectra were made for 91 sightlines and 215 (227) Lyα absorbers (components) were measured in this sample. The velocity gradient along each filament was calculated and 74 absorbers were found within 1000 km/s of the nearest filament segment. In order to find whether the absorbers are more tied to galaxies or to the large-scale structure, equivalent widths of the Lyα absorbers were plotted against both galaxy and filament impact parameters. While stronger absorbers do tend to be closer to either galaxies or filaments, there is a large scatter in this relation. Despite this large scatter, this study found that the absorbers do not follow a random distribution either. They cluster less strongly around filaments than galaxies, but stronger than random distributions, as confirmed by a Kolmogorov-Smirnov test. Furthermore, the column density distribution function found in this study has a slope of -β = 1.63±0.12 for the total sample and -β =1.47±0.24 for the absorbers within 1000 km/s of a filament. The shallower slope for the latter subsample could indicate an excess of denser absorbers within the filament, but they are consistent within errors. These values are in agreement with values found in e.g. Lehner et al. (2007); Danforth et al. (2016). The picture that emerges from this study regarding the relation between the IGM and the large-scale structure in the local Universe fits with what is found in other studies: while at least part of the gas traces the same filamentary structure as galaxies, the relation is complex. This study has shown that by taking a large sample of sightlines and comparing the data gathered from those with galaxy data, it is possible to study the gaseous large-scale structure. This approach can be used in the future together with simulations to get a better understanding of structure formation and evolution in the Universe. N2 - Sterne und Galaxien, die das Universum füllen, haben sich alle aus Gas gebildet. Bis heute bleibt der Großteil der baryonischen Materie im Universum im gasförmigen Zustand, und nur ein geringer Anteil davon ist kollabiert, um Sterne und Galaxien entstehen zu lassen. Der Gravitationskollaps folgt den Potentialtöpfen der Dunklen Materie, wodurch sich die großräumige Struktur (large-scale structures, LSS) des Universums formt. Die Galaxien innerhalb dieser Struktur ordnen sich entlang der Schichten, Filamenten und um die Knotenpunkte, wobei die Regionen niedriger Dichte (Voids) dazwischen liegen. Das diffuse Gas füllt diese Strukturen ebenfalls und stellt somit ein Reservoir der baryonischen Materie den Galaxien für die weitere Sternbildung zur Verfügung. Galaxien wiederum reichen das umgebende diffuse Gas an. Darum spielt das Gas um und zwischen Galaxien, das zirkum- bzw. intergalaktisches Medium (circum-/intergalactic medium, CGM/IGM), eine wichtige Rolle in der Entstehung und Entwicklung der Galaxien und LSS im Universum. Ziel dieses Promotionsprojektes ist es, ein besseres Verständnis über die Zusammenhänge zwischen demintergalaktischen Gas und LSS mit darin befindlichen Galaxien im lokalen Universum zu erhalten. Die Verteilung de Gases im IGM ist aufgrund der diffusen Beschaffenheit schwer nachzuweisen. Eine der Möglichkeiten es zu untersuchen, ist die Betrachtung der Absorptionsmerkmale in den Spektren der weitentfernten Quasare (QSOs). IGM, das vom Licht dieser QSOs auf dem Weg zum Beobachter durchquert wird, hinterlässt im Spektrum die charakteristischen Absoprtionslinien. Wir analysieren in diesem Promotionsprojekt eine große Anzahl von QSO-Spektren, die vom Cosmic Origin Spectrograph an Bord des Hubble-Weltraumteleskop stammen, um den physikalischen Zustand des intervenierenden intergalaktischen und zirkumgalaktischen Gas im nahen Universumzu untersuchen. Im ersten Teil dieser Dissertation untersuchen wir anhand der sogenannten Hochgeschwindigkeitswolken (high-velocity clouds, HVCs) das CGM um die Milchstraße in Richtung des Baryzentrums und Anti-Baryzentrums der Galaxien der Lokalen Gruppe (LG). Die HVCs haben Radialgeschwindigkeiten von über 80 kms¡1 und können sehr unterschiedliche Herkunft haben. Wir vermessen die Häufigkeiten verschiedener Ionen von Si und C für 69 HVCs sowie deren Kinematik. Daraus werden physikalische Eigenschaften der Wolken abgeleitet, die auf eine Teilstichprobe besonders interessanter Absorber in Richtung des Baryzentrums hinweisen. Diese Teilstichprobe besteht aus HVCs mit sehr geringen Gasdichten (log n(H) < -3.54), was darauf hindeutet, dass diese Wolken sich höchstwahrscheinlich außerhalb des Virialradius der Milchstraße in der gasförmigen Brücke befinden, die die Milchstraße und die Nachbargalaxie M31 verbindet. Ausgehend von dieser gasförmigen Brücke in unserer LG zoomen wir im zweiten Teil des Dissertation heraus, um einen Überblick über die Gasverteilung im lokalen Universum auf größeren Skalen zu erhalten. Wir analysieren die Lyman-α (Lyα) -Absorption des neutralen Wasserstoffs (H I) in 302 QSO-Spektren aus allen Himmelsrichtungen und kombinieren diese Daten mit denen von Galaxiefilamenten, die im V8k Katalog von Courtois et al. (2013) identifiziert wurden. Von den 587 HI Lyα-Absorptionssystemen befinden sich 215 in der Nähe von Galaxiefilamenten. Die stärkeren Absorber befinden sich häufig in der Nähe von Galaxien oder näher an den Mittelachsen der Filamente, aber diese Beziehung zeigt eine große Streuung. Die Lyα-Absorber neigen dazu, sich stärker um die Filamentachsen zu gruppieren im Vergleich zu einer zufälligen Population von Absorbern, wenn auch nicht so stark wie Galaxien. Dies weist darauf hin, dass die Lyα-Absorber zwar der großräumigen Struktur folgen, jedoch auf ihre eigene Weise. Schließlich zeigt eine statistische Analyse der Absorberstärken, dass sich die Verteilung der HI-Säulendichten von Region außerhalb zu Regionen innerhalb der Filamente ändert, was die grundsätzlich höhere Dichte der Materie in letzteren widerspiegelt. DasGesamtergebnis dieser Dissertation stimmt gut mit den Ergebnissen anderer Studien überein: auch wenn ein Teil des intergalaktischen Gases denselben kosmologischen Filamentstrukturen wie Galaxien folgt, bleibt die Beziehung zwischen Gas, Galaxien und großräumigen Struktur komplex. Die hochauflösende kosmologische Simulationen zusammen mit den zukünftigen Beobachtungen werden helfen diesen Zusammenhang besser zu verstehen. KW - Astrophysics KW - Spectroscopy KW - Circumgalactic Medium KW - Intergalactic Medium KW - Large-scale Structure KW - Astrophysik KW - zirkumgalaktisches Medium KW - intergalaktisches Medium KW - großräumige Struktur KW - Spektroskopie Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-520852 ER - TY - THES A1 - Brugger, Julia T1 - Modeling changes in climate during past mass extinctions T1 - Modellierung von Klimaveränderungen während vergangener Massenaussterben N2 - 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). N2 - In den 4,6 Milliarden Jahren Erdgeschichte wurde die Entwicklung des Lebens durch Störungen unterschiedlichster Art geprägt (Raup, 1994, Alroy, 2008). Ein Beispiel für solche Störungen sind Massenaussterben. Diese sind durch einen außergewöhnlichen Anstieg der Aussterberate einer großen Anzahl von Taxa in einem kurzen geologischen Zeitintervall gekennzeichnet (Sepkoski, 1986). Während der 541 Millionen Jahre des Phanerozoikums traten fünf außergewöhnlich schwere Massenaussterben auf. Viele Massenaussterben stehen mit Klimaveränderungen im Zusammenhang (Feulner, 2009). Die Untersuchung vergangener Massenaussterben ist daher nicht nur faszinierend, sondern gibt auch Einblicke in die komplexen Prozesse des Erdsystems. Diese Dissertation möchte unser Verständnis für die Auslöser von Massenaussterben sowie deren Auswirkungen auf das Leben erweitern. Dazu untersuche ich die Klimaveränderungen während zwei der fünf großen Aussterbeereignisse mit Hilfe eines gekoppelten Klimamodells. Während des Devons (vor 419,2-358,9 Millionen Jahren) entwickelten sich die ersten Gefäßpflanzen und Wirbeltiere an Land, während im Ozean Massenaussterben statt- fanden (Algeo et al., 1995). Die Ursachen dieser tiefgreifenden Veränderungen, ihre Wechselwirkungen und ihre Zusammenhänge mit Klimaveränderungen sind noch wenig verstanden. Daher untersuchen wir die Sensitivität des Klimas des Devons bezüglich verschiedener Randbedingungen mit einem Klimamodell mittlerer Komplexität (Brugger et al., 2019). Im Gegensatz zu Le Hir et al. (2011), die unrealistisch hohe Albedo Werte für den Boden verwenden, finden wir nur einen geringen biogeophysikalischen Einfluss von Änderungen der Vegetationsbedeckung. Außerdem können unsere Simulationen den starken Einfluss von Orbitalparametern, der mit einem Klimamodell mit stark vereinfachtem Ozeanmodell (De Vleeschouwer et al., 2013, 2014, 2017) simuliert wurde, nicht reproduzieren. Die in Proxydaten gefundenen klimatischen Veränderungen im Devon können wir nur durch eine Verringerung des atmosphärischen CO2 simulieren. Dennoch bleibt es eine Herausforderung, eine Übereinstimmung zwischen der aus Proxydaten (Joachimski et al., 2009) rekonstruierten Entwicklung der Meeresoberflächentemperatu- ren und unseren Simulationen zu finden. Dies deutet auf ein niedrigeres δ18O-Verhältnis des Meerwassers im Devon hin. Außerdem finden wir im Rahmen unserer Sensitivitäts- studien eine Klimavariabilität auf einer Zeitskala von Jahrzehnten bis Jahrhunderten. Die quasi-periodischen Schwankungen der Ozeantemperatur werden durch einen physikalischen Mechanismus aus sich verändernder Meereisbedeckung, Konvektion und Umwälzbewegung in den hohen nördlichen Breiten des Ozeans angetrieben. In der zweiten Studie dieser Dissertation (Dahl et al., under review) präsentieren wir eine neue Rekonstruktion des atmosphärischen CO2 für das Devon, die auf CO2-sensitiver Kohlenstoffisotopenfraktionierung in den frühesten Gefäßpflanzenfossilien basiert. Diese zeigt einen viel früheren Abfall der atmosphärischen CO2-Konzentration als bisherige Rekonstruktionen, gefolgt von nahezu konstanten CO2-Konzentrationen während des Mittel- und Spätdevon. Unsere Simulationen für das frühe Devon mit identischen Rand- bedingungen wie in unserer Sensitivitätsstudie (Brugger et al., 2019), jedoch mit einer niedrigen atmosphärischen CO2-Konzentration von 500ppm, zeigen keinen direkten Konflikt mit verfügbaren Proxy- und paläobotanischen Daten. Zusätzlich bestätigen die Simulationen, dass unter den simulierten klimatischen Bedingungen die Kohlenstoff- Isotopenfraktionierung einen robusten Proxy für atmosphärisches CO2 darstellt. Um den früheren CO2-Abfall zu erklären, schlagen wir vor, dass frühe Formen von vaskulären Landpflanzen die Verwitterung bereits stark beeinflusst haben. Diese neue Sichtweise auf das Devon stellt bisherige Vorstellungen über die klimatischen Bedingungen und frühere Erklärungen für die devonischen Massenaussterben in Frage. Das zweite in dieser Arbeit untersuchte Massenaussterben ist das Massenaussterben der späten Kreidezeit (vor 66 Millionen Jahren), das sich von denen im Devon in Bezug auf die beteiligten Prozesse und die Zeitskala der Aussterben unterscheidet. Eine der diskutierten Ursachen dieses Massenaussterbens ist der Chicxulub-Meteoriten-Einschlag. In den beiden hier vorgestellten Studien (Brugger et al., 2017, 2021) modellieren wir die klimatischen Auswirkungen des Chicxulub Einschlags für das erste Jahrtausend nach dem Einschlag. Die durch die stratosphärischen Sulfataerosole verringerte Son- neneinstrahlung verursacht eine starke Abkühlung: die global und jährlich gemittelte Oberflächenlufttemperatur nimmt um mindestens 26◦C ab und erholt sich erst nach mehr als 30 Jahren. Die plötzliche Abkühlung der Ozeanoberfläche löst bis in große Tiefen reichende Konvektion aus, die zum Nährstofftransport aus dem tiefen Ozean an die Ozea- noberfläche führt. Mit Hilfe eines biogeochemischen Modells des Ozeans untersuchen wir die kombinierte Wirkung dieser Durchmischung des Ozeans und eisenreichen Staubs aus dem Meteoriten auf die marine Biosphäre. Sobald wieder genügend Sonneneinstrahlung auf die Erdoberfläche trifft, erreicht die marine Nettoprimärproduktion ein kurzes, aber markantes Maximum. Dieser neu entdeckte Mechanismus könnte toxische Folgen für oberflächennahe Ökosysteme des Ozeans haben. Der Vergleich unserer Modellergebnisse mit Proxydaten (Vellekoop et al., 2014, 2016, Hull et al., 2020) deutet darauf hin, dass zusätzlich zum CO2 aus dem Gestein des Einschlagortes Kohlenstoff aus der terrest- rischen Biosphäre freigesetzt wird. Die Versauerung des Oberflächenozeans durch die Zugabe von CO2 und Schwefel ist nur moderat. Insgesamt deuten die Ergebnisse darauf hin, dass der Chicxulub Einschlag einen wesentlichen Beitrag zum Massenaussterben der späten Kreidezeit leistete, indem er das Erdsystem multiplen Stressoren aussetzte. Auch wenn das heutige sechste Aussterben durch menschliche Eingriffe in die Natur geprägt ist, zeigt diese Dissertation, dass wir aus dem Studium vergangener Massenaussterben viele Erkenntnisse über zukünftige Massenaussterben gewinnen können, wie z. B. die Bedeutung der Änderungsrate (Rothman, 2017), ein besseres Verständnis des Zusammenspiels multipler Stressoren (Gunderson et al., 2016) und die Rolle von Veränderungen im Kohlenstoffkreislauf (Rothman, 2017, Tierney et al., 2020). KW - earth system modeling KW - mass extinctions KW - paleoclimatology KW - climate change KW - Erdsystem Modellierung KW - Klimawandel KW - Massenaussterben KW - Paleoklimatologie Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-532468 ER - TY - GEN A1 - Regenstein, Wolfgang T1 - Strahlenschutzphysik in Stichpunkten N2 - Das Manuskript dient der Vorbereitung der Prüfung der Fachkunde zum Strahlenschutz für Lehrer. Es enthält wichtige Grundlagen der Kernphysik, insbesondere die Eigenschaften der Alpha-, Beta-, Gamma-, Neutronen- und Röntgenstrahlen. Es folgt eine kurze Beschreibung des Einflusses der Strahlung auf belebte Materie. Wichtige Paragrafen der Strahlenschutzverordnung werden beschrieben. Eine Aufgabensammlung dient zur Illustration und Übung. N2 - The paper serves for preparation to the examination to the „Fachkunde zum Stahlenschutz für Lehrer“. It contains important basics of the nuclear physics, especially the quantities of alpha-, beta-, gamma- und neutron radiation. It follows a description of the influence the radiation on lively matter. Important articles oft the „Strahlenschutzverordnung“ are described. A collection of exercises serves to illustration and practice. KW - Strahlenschutz KW - Strahlenarten KW - Dosimetrie KW - Strahlenbiologie KW - Strahlenbelastung KW - Radiation protection KW - kind of radiation KW - dosis measurement KW - radiobiology KW - radiation load Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-513405 ER - TY - THES A1 - Antonelli, Andrea T1 - Accurate waveform models for gravitational-wave astrophysics: synergetic approaches from analytical relativity N2 - Gravitational-wave (GW) astrophysics is a field in full blossom. Since the landmark detection of GWs from a binary black hole on September 14th 2015, fifty-two compact-object binaries have been reported by the LIGO-Virgo collaboration. Such events carry astrophysical and cosmological information ranging from an understanding of how black holes and neutron stars are formed, what neutron stars are composed of, how the Universe expands, and allow testing general relativity in the highly-dynamical strong-field regime. It is the goal of GW astrophysics to extract such information as accurately as possible. Yet, this is only possible if the tools and technology used to detect and analyze GWs are advanced enough. A key aspect of GW searches are waveform models, which encapsulate our best predictions for the gravitational radiation under a certain set of parameters, and that need to be cross-correlated with data to extract GW signals. Waveforms must be very accurate to avoid missing important physics in the data, which might be the key to answer the fundamental questions of GW astrophysics. The continuous improvements of the current LIGO-Virgo detectors, the development of next-generation ground-based detectors such as the Einstein Telescope or the Cosmic Explorer, as well as the development of the Laser Interferometer Space Antenna (LISA), demand accurate waveform models. While available models are enough to capture the low spins, comparable-mass binaries routinely detected in LIGO-Virgo searches, those for sources from both current and next-generation ground-based and spaceborne detectors must be accurate enough to detect binaries with large spins and asymmetry in the masses. Moreover, the thousands of sources that we expect to detect with future detectors demand accurate waveforms to mitigate biases in the estimation of signals’ parameters due to the presence of a foreground of many sources that overlap in the frequency band. This is recognized as one of the biggest challenges for the analysis of future-detectors’ data, since biases might hinder the extraction of important astrophysical and cosmological information from future detectors’ data. In the first part of this thesis, we discuss how to improve waveform models for binaries with high spins and asymmetry in the masses. In the second, we present the first generic metrics that have been proposed to predict biases in the presence of a foreground of many overlapping signals in GW data. For the first task, we will focus on several classes of analytical techniques. Current models for LIGO and Virgo studies are based on the post-Newtonian (PN, weak-field, small velocities) approximation that is most natural for the bound orbits that are routinely detected in GW searches. However, two other approximations have risen in prominence, the post-Minkowskian (PM, weak- field only) approximation natural for unbound (scattering) orbits and the small-mass-ratio (SMR) approximation typical of binaries in which the mass of one body is much bigger than the other. These are most appropriate to binaries with high asymmetry in the masses that challenge current waveform models. Moreover, they allow one to “cover” regions of the parameter space of coalescing binaries, thereby improving the interpolation (and faithfulness) of waveform models. The analytical approximations to the relativistic two-body problem can synergically be included within the effective-one-body (EOB) formalism, in which the two-body information from each approximation can be recast into an effective problem of a mass orbiting a deformed Schwarzschild (or Kerr) black hole. The hope is that the resultant models can cover both the low-spin comparable-mass binaries that are routinely detected, and the ones that challenge current models. The first part of this thesis is dedicated to a study about how to best incorporate information from the PN, PM, SMR and EOB approaches in a synergistic way. We also discuss how accurate the resulting waveforms are, as compared against numerical-relativity (NR) simulations. We begin by comparing PM models, whether alone or recast in the EOB framework, against PN models and NR simulations. We will show that PM information has the potential to improve currently-employed models for LIGO and Virgo, especially if recast within the EOB formalism. This is very important, as the PM approximation comes with a host of new computational techniques from particle physics to exploit. Then, we show how a combination of PM and SMR approximations can be employed to access previously-unknown PN orders, deriving the third subleading PN dynamics for spin-orbit and (aligned) spin1-spin2 couplings. Such new results can then be included in the EOB models currently used in GW searches and parameter estimation studies, thereby improving them when the binaries have high spins. Finally, we build an EOB model for quasi-circular nonspinning binaries based on the SMR approximation (rather than the PN one as usually done). We show how this is done in detail without incurring in the divergences that had affected previous attempts, and compare the resultant model against NR simulations. We find that the SMR approximation is an excellent approximation for all (quasi-circular nonspinning) binaries, including both the equal-mass binaries that are routinely detected in GW searches and the ones with highly asymmetric masses. In particular, the SMR-based models compare much better than the PN models, suggesting that SMR-informed EOB models might be the key to model binaries in the future. In the second task of this thesis, we work within the linear-signal ap- proximation and describe generic metrics to predict inference biases on the parameters of a GW source of interest in the presence of confusion noise from unfitted foregrounds and from residuals of other signals that have been incorrectly fitted out. We illustrate the formalism with simple (yet realistic) LISA sources, and demonstrate its validity against Monte-Carlo simulations. The metrics we describe pave the way for more realistic studies to quantify the biases with future ground-based and spaceborne detectors. N2 - Wenn zwei kompakte Objekte wie Schwarze Löcher oder Neutronensterne kollidieren, wird der Raum und die Zeit um sie herum stark gekrümmt. Der effekt sind Störungen der Raumzeit, sogenannte Gravitationswellen, die sich im gesamten Universum ausbreiten. Mit den leistungsstarken und präzisen Netzwerken von Detektoren und der Arbeit vieler Wissenschaftler rund um den Globus kann man Gravitationswellen auf der Erde messen. Gravitationswellen tragen Informationen über das System, das sie erzeugt hat. Insbesondere kann man erfahren, wie sich die kompakten Objekte gebildet haben und woraus sie bestehen. Daraus lässt sich ableiten, wie sich das Universum ausdehnt, und man kann die Allgemeine Relativitätstheorie in Regionen mit starker Gravitation testen. Um diese Informationen zu extrahieren, werden genaue Modelle benötigt. Modelle können entweder numerisch durch Lösen der berühmten Einstein-Gleichungen oder analytisch durch Annäherung an deren Lösungen gewonnen werden. In meiner Arbeit haben wir den zweiten Ansatz verfolgt, um sehr genaue Vorhersagen für die Signale zu erhalten, die bei kommenden Beobachtungen durch Gravitationswellendetektoren verwendet werden können. KW - gravitational waves KW - Gravitationswellen KW - general relativity KW - allgemeine Relativitätstheorie KW - data analysis KW - Datenanalyse Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-576671 ER - TY - THES A1 - von Reppert, Alexander T1 - Magnetic strain contributions in laser-excited metals studied by time-resolved X-ray diffraction T1 - Untersuchung magnetischer Beiträge zur Ausdehnung laserangeregter Metalle mittels zeitaufgelöster Röntgenbeugungsexperimente N2 - 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 Grüneisen parameter provides the theoretical framework for my work. I demonstrate how the Grüneisen 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. N2 - In dieser Arbeit untersuche ich den Einfluss magnetischer Ordnung auf die laser-induzierte, ultraschnelle Ausdehnung von Metallen. In Experimenten mit Femto- oder Pikosekunden Zeitauflösung sind magnetische Drücke bisher kaum erforscht. Dies steht im Kontrast zur industriellen Verwendung von magnetischen Invar Materialien oder magnetostriktiven Ultraschallgebern, in denen magnetische Drücke bereits in niedrigeren Frequenzbereichen Anwendung finden. In meinen Experimenten untersuche ich, wie der Energieeintrag durch die Absorption von Femtosekunden-Laserpulsen in dünnen Metallschichten zu einem ultraschnellen Druckanstieg führt. Dabei nutze ich, dass der Druckanstieg zu einer Ausdehnung führt, welche Deformationswellen auf der Nanometerskala, sogenannte Hyperschallpulse, in angrenzende Schichten aussendet. Sowohl die Ausdehnung als auch die Deformationspulse ändern den mittleren Abstand zwischen den Atomen in der Probe, welcher mittels Röntgenbeugung an einer Laser-getriebenen Plasma-Röntgenquelle mit einer Subpikosekunden-Zeitauflösung detektiert wird. Das Verfahren der ultraschnellen Röntgenbeugung gelingt auch in Heterostrukturen mit vergrabenen Detektionsschichten, zu denen optische Methoden aufgrund ihrer limitierter Eindringtiefe in Metallen keinen Zugang haben. Ein Beitrag dieser Arbeit zum Feld der Pikosekunden-Akustik ist es, aus der Ausdehnung einer solchen Detektionsschicht Rückschlüsse auf die initialen Energietransferprozesse zu ziehen. Der direkte Zusammenhang zwischen der eingebrachten Energiedichte in die Nanostrukturen und dem resultierenden Druck auf das Atomgitter ist ein zentraler Punkt in meiner Analyse der Experimente. Das zu Grunde liegende thermodynamische Konzept des Grüneisen-Parameters bildet den theoretischen Kontext meiner Publikationen. Anhand verschiedener Materialien demonstriere ich, wie dieses Prinzip auch zur Analyse der Ausdehnung auf ultraschnellen Zeitskalen verwendet werden kann und sich auch auf magnetische Drücke übertragen lässt. Insbesondere in der Materialklasse der schweren, seltenen Erdelemente sind Magnetostriktionseffekte sehr groß und führen dort sogar zu einem ungewöhnlichen Zusammenziehen des Materials nach der Laseranregung. Solch ein bestimmender Einfluss des magnetischen Drucks auf die Atombewegung ist bisher nicht gezeigt worden. Die Zeitskala des magnetischen Druckanstiegs entspricht dabei der beobachteten Abnahme der helikalen Spin-Ordnung, welche zuvor mittels zeitaufgelöster, resonanter Röntgenbeugung ermittelt wurde. Dies zeigt, dass die Stärke des magnetischen Drucks als Maß für magnetische Ordnung dienen kann, insbesondere auch im Fall von antiparalleler oder nicht-kollinearer Ordnung der magnetischen Momente in Proben mit verschwindender Magnetisierung. In Metallfilmen ist die Dehnung des Atomgitters in der Regel durch Druck von Elektronen und Gitterschwingungen geprägt. Um den magnetischen Druckbeitrag auch in solchen Fällen zu extrahieren, in denen systematische Experimente oberhalb und unterhalb der magnetischen Ordnungstemperatur nicht praktikabel sind, habe ich ein neuartiges Doppelpuls-Anregungsverfahren entwickelt, welches allgemein für die Untersuchung von Phasenübergängen nützlich ist. Der Energieeintrag durch den ersten Laserpuls führt dabei zu einer partiellen, ultraschnellen Demagnetisierung, sodass die Amplitude und Form der Gitterausdehnung nach dem zweiten Puls von der Stärke des verbliebenen magnetischen Drucks und somit von der verbliebenen magnetischen Ordnung abhängt. Mit dieser Methode ist es möglich geworden, einen stark richtungsabhängigen, magnetischen Druckbeitrag im Speichermedium Eisen-Platin zu identifizieren und mittels Variation des Puls-zu-Puls Abstands auch die Rückkehr der magnetischen Ordnung zu zeigen. Die unterschiedliche Ausdehnung von Eisen-Platin Nanopartikeln und dünnen Filmen zeigt dabei, dass die verschiedenen Zwangsbedingungen für die Ausdehnung entlang der Probenoberfläche aufgrund des Poisson-Effekts einen entscheidenden Einfluss auf die ultraschnelle Ausdehnung senkrecht zur Probenoberfläche hat. Ich analysiere, wie die zugrunde liegende Querkontraktion bei der Interpretation der ultraschnellen Ausdehnung auf der Basis von thermischen Ausdehnungskoeffizienten im Quasi-Gleichgewicht berücksichtigt werden kann. Meine Arbeit erweitert die Literatur um einen Beitrag zur ultraschnellen Magnetostriktion und entwickelt eine Methodik mittels derer räumlich und zeitlich variierende Druckbeiträge anhand einer Modellierung der Form der Deformationswellen extrahiert werden können. Energietransferprozesse spiegeln sich dabei durch eine Änderung des Druckprofils gegenüber dem Absorptionsprofil der Laserpulse wider. KW - lattice dynamics KW - magnetism KW - ultrafast KW - X-ray diffraction KW - Gitterdynamik KW - Magnetismus KW - ultraschnell KW - Röntgenbeugung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-535582 ER - TY - JOUR A1 - Wiesner, Karoline A1 - Ladyman, James T1 - Complex systems are always correlated but rarely information processing JF - Journal of physics. Complexity N2 - 'Complex systems are information processors' is a statement that is frequently made. Here we argue for the distinction between information processing-in the sense of encoding and transmitting a symbolic representation-and the formation of correlations (pattern formation/self-organisation). The study of both uses tools from information theory, but the purpose is very different in each case: explaining the mechanisms and understanding the purpose or function in the first case, versus data analysis and correlation extraction in the latter. We give examples of both and discuss some open questions. The distinction helps focus research efforts on the relevant questions in each case. KW - correlations KW - information theory KW - complex systems KW - information KW - processing KW - self-organisation Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/ac371c SN - 2632-072X VL - 2 IS - 4 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Diercke, Andrea A1 - Kuckein, Christoph A1 - Verma, Meetu A1 - Denker, Carsten T1 - Filigree in the surroundings of polar crown and high-latitude filaments JF - Solar physics : a journal for solar and solar-stellar research and the study of solar terrestrial physics N2 - High-resolution observations of polar crown and high-latitude filaments are scarce. We present a unique sample of such filaments observed in high-resolution H alpha narrow-band filtergrams and broad-band images, which were obtained with a new fast camera system at the Vacuum Tower Telescope (VTT), Tenerife, Spain. The Chromospheric Telescope (ChroTel) provided full-disk context observations in H alpha, CaiiK, and Hei 10830 angstrom. The Helioseismic and Magnetic Imager (HMI) and the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory (SDO) provided line-of-sight magnetograms and ultraviolet (UV) 1700 angstrom filtergrams, respectively. We study filigree in the vicinity of polar crown and high-latitude filaments and relate their locations to magnetic concentrations at the filaments' footpoints. Bright points are a well studied phenomenon in the photosphere at low latitudes, but they were not yet studied in the quiet network close to the poles. We examine size, area, and eccentricity of bright points and find that their morphology is very similar to their counterparts at lower latitudes, but their sizes and areas are larger. Bright points at the footpoints of polar crown filaments are preferentially located at stronger magnetic flux concentrations, which are related to bright regions at the border of supergranules as observed in UV filtergrams. Examining the evolution of bright points on three consecutive days reveals that their amount increases while the filament decays, which indicates they impact the equilibrium of the cool plasma contained in filaments. KW - Chromosphere KW - Quiet KW - Granulation KW - Magnetic fields KW - Photosphere KW - Prominences KW - Quiescent Y1 - 2021 U6 - https://doi.org/10.1007/s11207-021-01776-7 SN - 0038-0938 SN - 1573-093X VL - 296 IS - 2 PB - Springer CY - Dordrecht ER - TY - THES A1 - Krämer, Kai Hauke T1 - Towards a robust framework for recurrence analysis BT - automated state space reconstruction, optimal parameter selection and correction schemes N2 - In our daily life, recurrence plays an important role on many spatial and temporal scales and in different contexts. It is the foundation of learning, be it in an evolutionary or in a neural context. It therefore seems natural that recurrence is also a fundamental concept in theoretical dynamical systems science. The way in which states of a system recur or develop in a similar way from similar initial states makes it possible to infer information about the underlying dynamics of the system. The mathematical space in which we define the state of a system (state space) is often high dimensional, especially in complex systems that can also exhibit chaotic dynamics. The recurrence plot (RP) enables us to visualize the recurrences of any high-dimensional systems in a two-dimensional, binary representation. Certain patterns in RPs can be related to physical properties of the underlying system, making the qualitative and quantitative analysis of RPs an integral part of nonlinear systems science. The presented work has a methodological focus and further develops recurrence analysis (RA) by addressing current research questions related to an increasing amount of available data and advances in machine learning techniques. By automatizing a central step in RA, namely the reconstruction of the state space from measured experimental time series, and by investigating the impact of important free parameters this thesis aims to make RA more accessible to researchers outside of physics. The first part of this dissertation is concerned with the reconstruction of the state space from time series. To this end, a novel idea is proposed which automates the reconstruction problem in the sense that there is no need to preprocesse the data or estimate parameters a priori. The key idea is that the goodness of a reconstruction can be evaluated by a suitable objective function and that this function is minimized in the embedding process. In addition, the new method can process multivariate time series input data. This is particularly important because multi-channel sensor-based observations are ubiquitous in many research areas and continue to increase. Building on this, the described minimization problem of the objective function is then processed using a machine learning approach. In the second part technical and methodological aspects of RA are discussed. First, we mathematically justify the idea of setting the most influential free parameter in RA, the recurrence threshold ε, in relation to the distribution of all pairwise distances in the data. This is especially important when comparing different RPs and their quantification statistics and is fundamental to any comparative study. Second, some aspects of recurrence quantification analysis (RQA) are examined. As correction schemes for biased RQA statistics, which are based on diagonal lines, we propose a simple method for dealing with border effects of an RP in RQA and a skeletonization algorithm for RPs. This results in less biased (diagonal line based) RQA statistics for flow-like data. Third, a novel type of RQA characteristic is developed, which can be viewed as a generalized non-linear powerspectrum of high dimensional systems. The spike powerspectrum transforms a spike-train like signal into its frequency domain. When transforming the diagonal line-dependent recurrence rate (τ-RR) of a RP in this way, characteristic periods, which can be seen in the state space representation of the system can be unraveled. This is not the case, when Fourier transforming τ-RR. Finally, RA and RQA are applied to climate science in the third part and neuroscience in the fourth part. To the best of our knowledge, this is the first time RPs and RQA have been used to analyze lake sediment data in a paleoclimate context. Therefore, we first elaborate on the basic formalism and the interpretation of visually visible patterns in RPs in relation to the underlying proxy data. We show that these patterns can be used to classify certain types of variability and transitions in the Potassium record from six short (< 17m) sediment cores collected during the Chew Bahir Drilling Project. Building on this, the long core (∼ m composite) from the same site is analyzed and two types of variability and transitions are identified and compared with ODP Site  wetness index from the eastern Mediterranean. Type  variability likely reflects the influence of precessional forcing in the lower latitudes at times of maximum values of the long eccentricity cycle ( kyr) of the earth’s orbit around the sun, with a tendency towards extreme events. Type  variability appears to be related to the minimum values of this cycle and corresponds to fairly rapid transitions between relatively dry and relatively wet conditions. In contrast, RQA has been applied in the neuroscientific context for almost two decades. In the final part, RQA statistics are used to quantify the complexity in a specific frequency band of multivariate EEG (electroencephalography) data. By analyzing experimental data, it can be shown that the complexity of the signal measured in this way across the sensorimotor cortex decreases as motor tasks are performed. The results are consistent with and comple- ment the well known concepts of motor-related brain processes. We assume that the thus discovered features of neuronal dynamics in the sensorimotor cortex together with the robust RQA methods for identifying and classifying these contribute to the non-invasive EEG-based development of brain-computer interfaces (BCI) for motor control and rehabilitation. The present work is an important step towards a robust analysis of complex systems based on recurrence. N2 - In unserem täglichen Leben spielt die Rekurrenz auf vielen räumlichen und zeitlichen Skalen und in verschiedenen Kontexten eine bedeutende Rolle. Es ist die Grundlage des Lernens, sei es in einem evolutionären oder in einem neuronalen Kontext. Es erscheint daher selbstverständ- lich, dass Rekurrenz auch ein grundlegendes Konzept in der dynamischen Systemwissenschaft ist. In diesem Zusammenhang ermöglicht die Art und Weise, wie sich Zustände eines Systems wiederholen oder sich auf ähnliche Weise aus ähnlichen Anfangszuständen entwickeln, Infor- mationen über die zugrunde liegende Dynamik des Systems abzuleiten. Der mathematische Raum, in dem wir den Zustand eines Systems definieren (Zustandsraum), ist häufig hoch- dimensional, insbesondere in komplexen Systemen, die darüberhinaus auch eine chaotische Dynamik aufweisen können. Der Rekurrenzplot (RP) ermöglicht es uns, die Rekurrenzen beliebiger hochdimensionaler Systeme in einer zweidimensionalen, binären Darstellung zu visualisieren. Bestimmte Muster in RPs können mit physikalischen Eigenschaften des zugrunde liegenden Systems in Beziehung gesetzt werden, wodurch die qualitative und quantitative Analyse von RPs ein integraler Bestandteil der nichtlinearen Systemwissenschaft wird. Die vorgestellte Arbeit hat einen methodischen Schwerpunkt und entwickelt die Rekurrenzsana- lyse (RA) weiter, indem sie sich mit aktuellen Forschungsfragen befasst, die sich auf eine zunehmende Menge verfügbarer Daten und Fortschritte beim maschinellen Lernen beziehen. Durch die Automatisierung eines zentralen Schritts in der RA, nämlich der Rekonstruktion des Zustandsraums aus gemessenen experimentellen Zeitreihen, und durch die Untersuchung der Auswirkungen wichtiger freier Parameter soll die RA für Forscher außerhalb der Physik zugänglicher gemacht werden. Der erste Teil dieser Dissertation befasst sich mit der Rekonstruktion des Zustandsraums aus Zeitreihen. Hierzu wird eine neue Idee vorgeschlagen, die das Rekonstruktionsproblem so automatisiert, dass weder die Daten vorverarbeitet noch a priori Parameter geschätzt werden müssen. Die Schlüsselidee ist, dass die Güte einer Rekonstruktion durch eine geeignete Kostenfunktion evaluiert werden kann und diese Funktion im Einbettungsprozess minimiert wird. Darüber hinaus kann die neue Methode multivariate Zeitreihen-Eingabedaten verarbei- ten. Das ist insbesondere deshalb von großer Bedeutung, da mehrkanalige sensorgestützte Beobachtungen in vielen Forschungsbereichen allgegenwärtig sind und weiterhin zunehmen. Darauf aufbauend wird dann das beschriebene Minimierungsproblem der Kostenfunktion mit einem Ansatz des maschinellen Lernens bearbeitet. Im zweiten Teil werden einige technische und methodische Aspekte der RA erörtert. Zu- nächst begründen wir mathematisch die Idee, den einflussreichsten freien Parameter in der RA, den Rekurrenzgrenzwert ε, in Bezug auf die Verteilung aller paarweisen Abstände in den Daten festzulegen. Dies ist insbesondere dann wichtig, wenn verschiedene RPs und ihre Quantifizierungsstatistiken verglichen werden, und ist für jede vergleichende Studie von grundlegender Bedeutung. Zweitens werden einige Aspekte der Rekurrenzquantifizierungs- analyse (RQA) untersucht. Als Korrekturschemata für verzerrte RQA-Statistiken, welche auf diagonalen Linien basierenden, schlagen wir eine einfache Methode zum Umgang mit Randeffekten von RPs in der RQA und einen Skeletonisierungsalgorithmus für RPs vor. Dies sorgt in der Folge zu weniger verzerrten (auf diagonalen Linien basierenden) RQA-Statistiken für hoch abgetastete Daten. Drittens wird eine neuartige RQA-Charakteristik entwickelt, die als verallgemeinertes, nichtlineares Leistungsspektrum hochdimensionaler Systeme angesehen werden kann. Das Spike-Powerspectrum transformiert ein Spike-train-ähnliches Signal in seinen Frequenzbereich. Wenn die diagonallinienabhängige Rekurrenzsrate (τ-RR) eines RP auf diese Weise transformiert wird, können charakteristische Perioden, die in der Zustands- raumdarstellung des Systems erkennbar sind, entschlüsselt werden. Dies ist nicht der Fall, wenn die τ-RR Fourier-transformiert wird. ix x Schließlich werden RA und RQA im dritten Teil auf Paläoklima-Seesedimentdaten und im vierten Teil auf EEG-Daten (Elektroenzephalographie) angewendet. Nach unserem besten Wissen ist dies das erste Mal, dass RPs und RQA für die Analyse von Seesedimentdaten in einem Paläoklima-Kontext verwendet wurden. Daher wird zunächst an dem grundlegenden Formalismus und der Interpretation visuell sichtbarer Muster in RPs in Bezug auf die zugrunde liegenden Proxy-Daten gearbeitet. Wir zeigen, dass diese Muster verwendet werden können, um bestimmte Arten von Variabilität und Übergängen im Kaliumdatensatz von sechs kurzen (< 17m) Sedimentkernen zu klassifizieren, die während des Chew Bahir-Bohrprojekts gesammelt wurden. Darauf aufbauend wird der lange Kern (∼ m composite) desselben Standorts analysiert und zwei Arten von Variabilität und Übergängen werden identifiziert und mit dem Feuchtigkeitsindex des ODP-Standorts  aus dem östlichen Mittelmeerraum verglichen. Die Variabilität vom Typ  spiegelt wahrscheinlich den Einfluss des Präzessionsantriebs in den unteren Breiten zu Zeiten mit Maximalwerten des langen Exzentrizitätszyklus ( kyr) der Erdumlaufbahn um die Sonne wider, wobei die Tendenz zu extremen Ereignissen besteht. Die Variabilität vom Typ  scheint mit den lokalen Minima dieses Zyklus verbunden zu sein und entspricht ziemlich schnellen Übergängen zwischen relativ trockenen und relativ nassen Bedingungen. Im Gegensatz dazu wird RQA seit fast zwei Jahrzehnten im neurowissenschaftlichen Kontext angewendet. Im letzten Teil werden RQA-Statistiken zur Quantifizierung der Komplexität in einem bestimmten Frequenzband multivariater EEG-Daten verwendet. Durch die Analyse experimenteller Daten kann gezeigt werden, dass die Komplexität des auf diese Weise über den sensomotorischen Kortex gemessenen Signals abnimmt, wenn motorische Aufgaben ausgeführt werden. Die Ergebnisse stimmen mit den bekannten Konzepten motorischer Gehirnprozesse überein und ergänzen diese. Wir nehmen an, dass die so entdeckten Merkmale der neuronalen Dynamik im sensomotorischen Kortex zusammen mit den robusten RQA-Methoden zur Identifizierung und Klassifizierung dieser zu der nicht-invasiven EEG-basierten Entwicklung von Gehirn-Computer-Schnittstellen (BCI) und zur motorischen Steuerung und Rehabilitation beitragen werden. Die vorliegende Arbeit ist ein wichtiger Schritt zu einer robusten Analyse komplexer Systeme basierend auf Rekurrenz. KW - recurrence KW - state space reconstruction KW - embedding KW - recurrence analysis KW - recurrence quantification analysis KW - Einbettung KW - Rekurrenz KW - Rekurrenzanalyse KW - quantifizierende Rekurrenzanalyse KW - Zustandsraumrekonstruktion/Phasenraumrekonstruktion Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-538743 ER - TY - THES A1 - Diab, Momen T1 - Enabling astrophotonics: adaptive optics and photonic lanterns for coupling starlight into the single-mode regime T1 - Astrophotonik ermöglichen: Adaptive Optik und photonische Laternen zur Einkopplung von Sternenlicht in den Single-Mode-Bereich N2 - Ground-based astronomy is set to employ next-generation telescopes with apertures larger than 25 m in diameter before this decade is out. Such giant telescopes observe their targets through a larger patch of turbulent atmosphere, demanding that most of the instruments behind them must also grow larger to make full use of the collected stellar flux. This linear scaling in size greatly complicates the design of astronomical instrumentation, inflating their cost quadratically. Adaptive optics (AO) is one approach to circumvent this scaling law, but it can only be done to an extent before the cost of the corrective system itself overwhelms that of the instrument or even that of the telescope. One promising technique for miniaturizing the instruments and thus driving down their cost is to replace some, or all, of the free space bulk optics in the optical train with integrated photonic components. Photonic devices, however, do their work primarily in single-mode waveguides, and the atmospherically-distorted starlight must first be efficiently coupled into them if they are to outperform their bulk optic counterparts. This is doable by two means: AO systems can again help control the angular size and motion of seeing disks to the point where they will couple efficiently into astrophotonic components, but this is only feasible for the brightest of objects and over limited fields of view. Alternatively, tapered fiber devices known as photonic lanterns — with their ability to convert multimode into single-mode optical fields — can be used to feed speckle patterns into single-mode integrated optics. They, nonetheless, must conserve the degrees of freedom, and the number of output waveguides will quickly grow out of control for uncorrected large telescopes. An AO-assisted photonic lantern fed by a partially corrected wavefront presents a compromise that can have a manageable size if the trade-off between the two methods is chosen carefully. This requires end-to-end simulations that take into account all the subsystems upstream of the astrophotonic instrument, i.e., the atmospheric layers, the telescope, the AO system, and the photonic lantern, before a decision can be made on sizing the multiplexed integrated instrument. The numerical models that simulate atmospheric turbulence and AO correction are presented in this work. The physics and models for optical fibers, arrays of waveguides, and photonic lanterns are also provided. The models are on their own useful in understanding the behavior of the individual subsystems involved and are also used together to compute the optimum sizing of photonic lanterns for feeding astrophotonic instruments. Additionally, since photonic lanterns are a relatively new concept, two novel applications are discussed for them later in this thesis: the use of mode-selective photonic lanterns (MSPLs) to reduce the multiplicity of multiplexed integrated instruments and the combination of photonic lanterns with discrete beam combiners (DBCs) to retrieve the modal content in an optical waveguide. N2 - In der erdbasierten Astronomie sollen noch in diesem Jahrzehnt Teleskope der nächsten Generation mit Öffnungen von mehr als 25 Metern in Betrieb genommen werden. Mit derart riesigen Aperturen werden die Zielobjekte durch einen größeren Ausschnitt turbulenter Atmosphäre beobachtet, weswegen die meisten die dahinterliegenden Instrumente entsprechend größer werden müssen, um die aufgefangene Strahlungsleistung vollständig nutzen zu können. Die lineare Skalierung der Größe erschwert das Design astronomischer Instrumente erheblich und führt zu einem quadratischen Anstieg der Kosten. Die adaptive Optik (AO) ist ein Ansatz, diese Skalierung zu umgehen. Allerdings ist dies nur bis zu einem gewissen Grad möglich, bevor die Kosten des Korrektursystems die des Instruments oder sogar des Teleskopes übersteigen. Eine vielversprechende Methode, das Instrument zu miniaturisieren und damit die Kosten zu reduzieren besteht darin, einige oder sogar alle der voluminösen Freistrahloptiken im Strahlengang durch photonische Komponenten zu ersetzen. Photonische Bauteile arbeiten jedoch in erster Linie mit Einzelmoden-Wellenleitern. Damit sie eine bessere Leistung erbringen als die entsprechenden Freistrahloptiken muss das durch die atmosphärischen Störungen verformte Sternenlicht zunächst effizient in die Wellenleiter eingekoppelt werden. Dies kann auf zwei Wegen erreicht werden: AO Systeme können Winkelausdehnung und Bewegung der Bildunschärfe der Sternscheibchen stark genug korrigieren, um diese effizient in astrophotonische Komponenten einzukoppeln. Dies ist aber nur für die hellsten Objekte und über ein begrenztes Sichtfeld möglich. Alternativ können photonische Laternen genutzt werden, um Multimoden des optischen Feldes in Einzelmoden umzuwandeln und somit die Specklemustern in die Einzelmoden-Wellenleiter der integrierten Optiken zu injizieren. Da hierbei die Anzahl der Freiheitsgrade trotzdem erhalten bleiben muss, wird die Zahl der Ausgangswellenleiter für nicht-korrigierte große Teleskope schnell unkontrollierbar anwachsen. Durch sorgfältiges Abwägen kann ein Kompromiss zwischen diesen beiden Methoden gewählt werden, bei dem man eine AO-assistierte photonische Laterne mit überschaubarer Größe erhält, in die eine partiell korrigierte Wellenfront gespeist wird. Dieser Prozess erfordert durchgehende Simulationen unter Einbeziehung aller Subsysteme vor dem astrophotonischen Instrument -Atmosphäre, Teleskop, AO System und photonische Laterne- bevor eine Entscheidung über die Dimensionierung des integrierten Multiplex-Instruments getroffen vii werden kann. Die numerischen Modelle, die die atmosphärischen Störungen und AO Korrekturen simulieren, werden in dieser Arbeit präsentiert. Die Physik und Modelle für optische Fasern, Wellenleiter-Arrays und photonische Laternen werden ebenfalls dargestellt. Jedes Modell für sich ist nützlich, um die Auswirkung des jeweiligen Subsystems nachzuvollziehen. In Kombination werden die Modelle verwendet, um die optimale Konfiguration und Größe der photonischen Laterne für die Einspeisung astrophotonischer Instrumente zu berechnen. Da photonische Laternen ein relativ neues Konzept sind, werden im weiteren Verlauf der Arbeit zusätzlich zwei neuartige Anwendungen erörtert: der Einsatz modenselektiver photonischer Laternen (MSPLs) zur Verringerung der Anzahl von Multiplex-Instrumenten sowie die Kombination photonischer Laternen mit diskreten Strahlkombinierern („Discrete Beam Combiners“: DBCs), um die Moden in einem Lichtwellenleiter zu erfassen. KW - adaptive optics KW - photonic lanterns KW - astrophotonics KW - integrated optics KW - astronomical instrumentation KW - spectrographs KW - interferometers KW - atmospheric effects KW - single-mode fiber KW - fiber coupling KW - optical fibers KW - adaptive Optik KW - astronomische Instrumente KW - Astrophotonik KW - atmosphärische Effekte KW - Faserkopplung KW - integrierten Optik KW - Interferometer KW - optische Fasern KW - photonische Laternen KW - Single-mode-Faser KW - Spektrographen Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-539012 ER - TY - THES A1 - Canil, Laura T1 - Tuning Interfacial Properties in Perovskite Solar Cells through Defined Molecular Assemblies T1 - Anpassung von Grenzflächeneigenschaften von Perowskit-Solarzellen durch den Einsatz von molekularen Schichten N2 - In the frame of a world fighting a dramatic global warming caused by human-related activities, research towards the development of renewable energies plays a crucial role. Solar energy is one of the most important clean energy sources and its role in the satisfaction of the global energy demand is set to increase. In this context, a particular class of materials captured the attention of the scientific community for its attractive properties: halide perovskites. Devices with perovskite as light-absorber saw an impressive development within the last decade, reaching nowadays efficiencies comparable to mature photovoltaic technologies like silicon solar cells. Yet, there are still several roadblocks to overcome before a wide-spread commercialization of this kind of devices is enabled. One of the critical points lies at the interfaces: perovskite solar cells (PSCs) are made of several layers with different chemical and physical features. In order for the device to function properly, these properties have to be well-matched. This dissertation deals with some of the challenges related to interfaces in PSCs, with a focus on the interface between the perovskite material itself and the subsequent charge transport layer. In particular, molecular assemblies with specific properties are deposited on the perovskite surface to functionalize it. The functionalization results in energy level alignment adjustment, interfacial losses reduction, and stability improvement. First, a strategy to tune the perovskite’s energy levels is introduced: self-assembled monolayers of dipolar molecules are used to functionalize the surface, obtaining simultaneously a shift in the vacuum level position and a saturation of the dangling bonds at the surface. A shift in the vacuum level corresponds to an equal change in work function, ionization energy, and electron affinity. The direction of the shift depends on the direction of the collective interfacial dipole. The magnitude of the shift can be tailored by controlling the deposition parameters, such as the concentration of the solution used for the deposition. The shift for different molecules is characterized by several non-invasive techniques, including in particular Kelvin probe. Overall, it is shown that it is possible to shift the perovskite energy levels in both directions by several hundreds of meV. Moreover, interesting insights on the molecules deposition dynamics are revealed. Secondly, the application of this strategy in perovskite solar cells is explored. Devices with different perovskite compositions (“triple cation perovskite” and MAPbBr3) are prepared. The two resulting model systems present different energetic offsets at the perovskite/hole-transport layer interface. Upon tailored perovskite surface functionalization, the devices show a stabilized open circuit voltage (Voc) enhancement of approximately 60 meV on average for devices with MAPbBr3, while the impact is limited on triple-cation solar cells. This suggests that the proposed energy level tuning method is valid, but its effectiveness depends on factors such as the significance of the energetic offset compared to the other losses in the devices. Finally, the above presented method is further developed by incorporating the ability to interact with the perovskite surface directly into a novel hole-transport material (HTM), named PFI. The HTM can anchor to the perovskite halide ions via halogen bonding (XB). Its behaviour is compared to that of another HTM (PF) with same chemical structure and properties, except for the ability of forming XB. The interaction of perovskite with PFI and PF is characterized through UV-Vis, atomic force microscopy and Kelvin probe measurements combined with simulations. Compared to PF, PFI exhibits enhanced resilience against solvent exposure and improved energy level alignment with the perovskite layer. As a consequence, devices comprising PFI show enhanced Voc and operational stability during maximum-power-point tracking, in addition to hysteresis reduction. XB promotes the formation of a high-quality interface by anchoring to the halide ions and forming a stable and ordered interfacial layer, showing to be a particularly interesting candidate for the development of tailored charge transport materials in PSCs. Overall, the results exposed in this dissertation introduce and discuss a versatile tool to functionalize the perovskite surface and tune its energy levels. The application of this method in devices is explored and insights on its challenges and advantages are given. Within this frame, the results shed light on XB as ideal interaction for enhancing stability and efficiency in perovskite-based devices. N2 - Im Kampf gegen den menschengemachten Klimawandel spielt die Forschung und Entwicklung von erneuerbaren Energien eine tragende Rolle. Solarenergie ist eine der wichtigsten grünen Energiequellen und von steigender Bedeutung für die Deckung des globalen Energiebedarfs. In diesem Kontext hat eine bestimme Materialklasse aufgrund ihrer attraktiven Eigenschaften die Aufmerksamkeit der Wissenschaft erregt: Halogenid-Perowskit. Perowskit-Solarzellen haben im letzten Jahrzehnt eine beeindruckende Entwicklung durchgemacht und erreichen heutzutage Effizienzen, die mit weit entwickelten Photovoltaik-Technologien wie Silizium-Solarzellen vergleichbar sind. Jedoch existieren immer noch mehrere Hürden, die einer marktweiten Kommerzialisierung dieser jungen Technologie im Wege stehen. Eines der kritischen Probleme befindet sich an den Grenzflächen. Perowskit-Solarzellen bestehen aus mehreren Schichten mit unterschiedlichen chemischen und physikalischen Eigenschaften. Damit die Solarzelle bestmöglich funktioniert, müssen diese Eigenschaften aufeinander abgestimmt sein. Diese Dissertation beschäftigt sich mit einigen Herausforderungen im Zusammenhang mit Grenzflächen in Perowskit-Solarzellen, dabei liegt der Fokus auf der Grenzfläche zwischen Perowskit-Absorber und der angrenzenden Ladungstransportschicht. Insbesondere werden organische Moleküle mit spezifischen Eigenschaften verwendet um die Oberfläche des Perowskiten zu funktionalisieren. Dadurch wird eine Bandanpassung erreicht, Grenzflächenverluste reduziert und die Stabilität der Solarzellen erhöht. Zunächst wird eine Strategie zum Anpassen der Bandenergien vorgestellt: Selbst-organisierende Monoschichten dipolarer Moleküle werden auf die Perowskit-Oberfläche abgeschieden, um diese zu funktionalisieren. Dadurch wird eine Anpassung des Energie-Levels im Perowskiten und die Sättigung von ungebundenen Elektronenbindungen (engl. dangling bonds) an der Oberfläche erreicht. Die Richtung der Energielevel-Verschiebung hängt von der Richtung des kollektiven Grenzflächen-Dipols ab. Der Betrag der Energielevel-Verschiebung kann über die Depositionsparameter während der Schichtherstellung eingestellt werden. Die Energielevel-Verschiebung bei der Verwendung verschiedener Moleküle wird mit Hilfe verschiedener non-invasiver Charakterisierungsmethoden untersucht, insbesondere mit der Hilfe von Kelvin-Sonde Messungen. Diese Messungen ermöglichen interessante Erkenntnisse über die Dynamik der Deposition der Moleküle. Es ist möglich die Energielevel in beide Richtungen um mehrere hundert meV zu verschieben. Als Zweites wird die Anwendung dieser Stategie in Perowskit-Solarzellen erforscht. Solarzellen mit Perowskit-Absorbern unterschiedlicher Zusammensetzung (“Dreifach-Kationen-Perowskit” und MAPbBr3) werden präpariert; die beiden Modellsysteme besitzen dann unterschiedliche energetische Offsets an der Perowskit-Lochleiter Grenzfläche. Mit einer maßgeschneiderter Funktionalisierung der Perowskit-Oberfläche zeigen die MAPbBr3 Solarzellen eine permanente Verbesserung der offene-Klemmen-Spannung (engl. open circuit voltage, Voc) um durchschnittlich 60 meV, während der Einfluss auf die Solarzellen mit Dreifach-Kationen-Perowskit gering ist. Dies zeigt, dass die vorgestellte Methode zur Bandanpassung funktioniert, aber ihre Effektivität zudem von weiteren Faktoren abhängt: Die Relevanz des energetischen Offsets im Vergleich zu anderen Verlustmechanismen beeinflusst unter anderem die Effektivität der Funktionalisierung. Abschließend wird beschrieben, wie die präsentierte Methode zur Bandanpassung weiterentwickelt wird, indem das Vermögen, mit der Perowskit-Oberfläche zu interagieren, direkt in einen neuartigen Lochleiter („PFI“) integriert wird. Der Lochleiter kann sich über Halogenbindungen an den Perowskiten anlagern. Das Verhalten von PFI wird verglichen mit dem eines anderen Lochleiters („PF“), welcher die fast gleiche chemische Struktur und sehr ähnliche Eigenschaften aufweist, ausgenommen der Fähigkeit eine Halogenbindung zu formen. Die PFI-Perowskit und PF-Perowskit Interaktion wird durch UV-Vis Spektroskopie, Rasterkraftmikroskopie und Kelvin-Sonde Messungen, kombiniert mit Simulationen, charakterisiert. Beim direkten Vergleich von PFI und PF zeigt sich die Bildung der Halogenbindung in einer bei PFI verbesserten Widerstandskraft gegen Lösungsmittel und Bandanpassung zum Perowskiten. Beim Folgerichtig zeigen Solarzellen mit PFI zusätzlich zu einer verringerten Hysterese einen höheren Voc und eine erhöhte Stabilität während des Betriebs unter Maximum-Power-Point Tracking Zusammenfassend stellt diese Dissertation somit ein vielseitiges Werkzeug zur Funktionalisierung von Perowskit-Oberflächen und der dadurch erreichten Bandanpassung vor. Die Anwendung dieses Werkzeugs an Solarzellen wird erprobt und Einsichten in seine Vorteile und Nachteile erlangt. Die Halogenbindung wird als spezifische Interaktion identifiziert, die sich ideal zur Steigerung von Effizienz und Stabilität von Perowskit-basierten optoelektronischen Bauteilen erweisen könnte. KW - photovoltaic KW - perovskite solar cells KW - interfaces KW - energy levels KW - halogen bonding KW - Grenzflächen KW - Perowskit Solarzellen KW - Photovoltaik KW - Bandenenergien KW - Halogenbindung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-546333 ER - TY - THES A1 - Geraili Daronkola, Hosein T1 - The role of acidic amino acids in the hydration and stabilization of halophilic proteins T1 - Die Rolle Saurer Amino Säuren bei der Hydratation und Stabilisierung von Halophilen Proteinen N2 - Proteins of halophilic organisms that accumulate molar concentrations of KCl in their cytoplasm have much higher content in acidic amino acids than proteins of mesophilic organisms. It has been proposed that this excess is necessary to maintain proteins hydrated in an environment with low water activity: either via direct interactions between water and the carboxylate groups of acidic amino acids or via cooperative interactions between acidic amino acids and hydrated cations, which would stabilize the folded protein. In the course of this Ph.D. study, we investigated these possibilities using atomistic molecular dynamics simulations and classical force fields. High quality parameters describing the interaction between K+ and carboxylate groups present in acidic amino acids are indispensable for this study. We first evaluated the quality of the default parameters for these ions within the widely used AMBER ff14SB force field for proteins and found that they perform poorly. We propose new parameters, which reproduce solution activity derivatives of potassium acetate solutions up to 2 mol/kg and the distances between potassium ions and carboxylate groups observed in x-ray structures of proteins. To understand the role of acidic amino acids in protein hydration, we investigated this aspect for 5 halophilic proteins in comparison with 5 mesophilic ones. Our results do not support the necessity of acidic amino acids to keep folded proteins hydrated. Proteins with a larger fraction of acidic amino acids indeed have higher hydration levels. However, the hydration level of each protein is identical at low (b_KCl = 0.15 mol/kg) and high (b_KCl = 2 mol/kg) KCl concentration. It has also been proposed that cooperative interactions between acidic amino acids with nearby hydrated cations stabilize the folded protein and slow down its solvation shell; according to this theory, the cations would be preferentially excluded from the unfolded structure. We investigate this possibility through extensive free energy calculation simulations. We find that cooperative interactions between neighboring acidic amino acids exist and are mediated by the ions in solution but are present in both folded and unfolded structures of halophilic proteins. The translational dynamics of the solvation shell is barely distinguishable between halophilic and mesophilic proteins; therefore, such a cooperative effect does not result in unusually slow solvent dynamics as has been suggested. N2 - Die Hydratation von Proteinen ist entscheidend für die Funktion von Proteinen. Die meisten Proteine typischer Organismen existieren in Umgebungen, in denen die Elektrolytkonzentration deutlich unter 1 molar bleibt; in Medien mit höherer Konzentration stellen diese Proteine oft ihre Funktion ein. Im Gegensatz dazu existieren Proteine von halophilen Organismen in Umgebungen mit multimolaren Konzentrationen von KCl-Salz und verlieren oft ihre Funktion bei niedriger KCl-Konzentration. Das Verständnis der Mechanismen, durch die halophile Proteine in der Lage sind, bei hoher KCl-Konzentration zu funktionieren, ist wichtig, sowohl aus fundamentaler Sicht als auch wegen der Auswirkungen, die dieses Verständnis auf die Suche nach Enzymen haben wird, die in anderen Umgebungen mit hoher Salzkonzentration funktionieren (z.B. für die H2-Produktion in NaCl-reichem Wasser, wodurch Süßwasserressourcen geschont werden, oder um enzymatische Katalyse in Mischungen aus organischen Lösungsmitteln und Wasser durchzuführen, was von Interesse ist, wenn Substrate oder Produkte schlecht wasserlöslich sind). Halophile Proteine haben einen außergewöhnlich hohen Gehalt an negativ geladenen Aminosäuren (saure Aminosäuren) und diese Aminosäuren, Bausteine der Proteine, sind wesentlich stärker hydratisiert als andere natürliche Aminosäuren. Eine intuitive Erklärung für den hohen Gehalt an sauren Aminosäuren in halophilen Proteinen ist, dass sie zur Aufrechterhaltung der Proteinhydratation bei hohen KCl-Konzentrationen notwendig sind. Diese Erklärung wurde noch nicht getestet, zum Teil, weil die Quantifizierung der Proteinhydratation in einem breiten Bereich von KCl-Konzentrationen im Experiment eine Herausforderung darstellt. In dieser Arbeit überwinden wir diese Schwierigkeit durch den Einsatz von Molekularsimulationen. Wir untersuchen 10 Proteine mit unterschiedlichem Gehalt an sauren Aminosäuren, Nettoladung und Proteingröße, um allgemeine Schlussfolgerungen ziehen zu können. Wir zeigen, dass der Hydratationsgrad aller untersuchten Proteine unempfindlich gegenüber Änderungen der KCl-Konzentration ist. Dieses Ergebnis deutet stark darauf hin, dass die Aufrechterhaltung der Proteinhydratation nicht die evolutionär treibende Kraft hinter der Häufigkeit von sauren Aminosäuren in halophilen Proteinen ist. Die Robustheit der Proteinhydratation hängt mit der Tatsache zusammen, dass positiv geladene Salzionen nicht mit dem Protein um verfügbares Wasser konkurrieren, sondern die Hydratation der Proteine mit ihrer eigenen Hydratation integrieren. Es wurde auch vorgeschlagen, dass diese Integration die Wassermoleküle in der Nähe des Proteins verlangsamt. Unsere Studie zeigt eine kaum unterscheidbare Wasserdynamik zwischen halophilen und mesophilen Proteinen. KW - Halophilic proteins KW - Molecular Dynamics Simulation KW - Force Field Optimization KW - Kraftfeld Optimierung KW - Halophile Proteine KW - Molekulardynamische Simulation Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-516713 ER - TY - THES A1 - Teichmann, Erik T1 - Partial synchronization in coupled systems with repulsive and attractive interaction T1 - Partielle Synchronisation in Gekoppelten System mit Abstoßender und Anziehender Wechselwirkung N2 - Partial synchronous states exist in systems of coupled oscillators between full synchrony and asynchrony. They are an important research topic because of their variety of different dynamical states. Frequently, they are studied using phase dynamics. This is a caveat, as phase dynamics are generally obtained in the weak coupling limit of a first-order approximation in the coupling strength. The generalization to higher orders in the coupling strength is an open problem. Of particular interest in the research of partial synchrony are systems containing both attractive and repulsive coupling between the units. Such a mix of coupling yields very specific dynamical states that may help understand the transition between full synchrony and asynchrony. This thesis investigates partial synchronous states in mixed-coupling systems. First, a method for higher-order phase reduction is introduced to observe interactions beyond the pairwise one in the first-order phase description, hoping that these may apply to mixed-coupling systems. This new method for coupled systems with known phase dynamics of the units gives correct results but, like most comparable methods, is computationally expensive. It is applied to three Stuart-Landau oscillators coupled in a line with a uniform coupling strength. A numerical method is derived to verify the analytical results. These results are interesting but give importance to simpler phase models that still exhibit exotic states. Such simple models that are rarely considered are Kuramoto oscillators with attractive and repulsive interactions. Depending on how the units are coupled and the frequency difference between the units, it is possible to achieve many different states. Rich synchronization dynamics, such as a Bellerophon state, are observed when considering a Kuramoto model with attractive interaction in two subpopulations (groups) and repulsive interactions between groups. In two groups, one attractive and one repulsive, of identical oscillators with a frequency difference, an interesting solitary state appears directly between full and partial synchrony. This system can be described very well analytically. N2 - Partiell synchronisierte Zustände existieren zwischen voller Synchronisation und Asynchronie, in Systemen von gekoppelten Oszillatoren. Das Verständnis von partieller Synchronisation ist ein wichtiger Forschungszweig, da sie viele dynamische Zustände enthalten. Sie werden oft mithilfe von Phasendynamiken untersucht. Das ist jedoch ein Nachteil, da Phasendynamiken für gewöhnlich nur im Grenzfall von schwacher Kopplung, also einer Näherung in erster Ordnung der Kopplungsstärke, betrachtet werden. Die Verallgemeinerung zu höheren Ordnungen ist weiterhin ein offenes Problem. Systeme mit anziehender und abstoßender Kopplung zwischen den einzelnen Oszillatoren sind von speziellem Interesse in der Erforschung von partieller Synchronisation. Solch eine Mischung aus Kopplungsstärken führt zu bestimmten dynamischen Zuständen, die den Übergang von Synchronisation zu Asynchronie erklären könnten. Diese Arbeit untersucht solche Zustände in Systemen mit gemischten Kopplungsstärken. Zuerst wird eine neue Methode zur Bestimmung von Phasendynamiken in höheren Ordnungen eingeführt. Sie betrachtet mehr Kopplungsterme, als die einfachen paarweisen Interaktionen die in der ersten Ordnung der Kopplungsstärke auftreten, in der Hoffnung, dass diese Methode auch auf Systeme mit gemischter Kopplung anwendbar ist. Die neue Methode für Oszillatoren mit einer bekannten Phasendynamik, führt zu den richtigen Ergebnissen, ist aber aufwendig zu berechnen. Die Methode wird auf drei, in einer Linie gekoppelten, Stuart-Landau Oszillatoren angewendet. Eine numerische Methode wird abgeleitet, um die analytischen Ergebnisse zu verifizieren. Diese Ergebnisse sind interessant, aber durch die benötigte hohe Rechenleistung ist es weiterhin vorteilhaft einfachere Phasenmodelle zu untersuchen, die exotischere Zustände erreichen. Solch ein einfaches Model, das eher selten Beachtung findet, ist das Kuramoto Model mit anziehender und abstoßender Kopplung. Abhängig davon, wie die Oszillatoren gekoppelt und wie die Frequenzunterschiede zwischen den einzelnen Oszillatoren sind, ist es möglich viele verschiedene Zustände zu erreichen. Interessante Synchronisierungsdynamiken werden erreicht, wie zum Beispiel der Bellerophon Zustand, wenn ein Kuramoto Model mit zwei Gruppen, mit anziehender Kopplung innerhalb der Gruppen und abstoßender Kopplung zwischen den Gruppen, untersucht wird. Bei zwei Gruppen, eine anziehend und eine abstoßend, von identischen Oszillatoren mit einem Frequenzunterschied zwischen den Gruppen, wird ein interessanter solitärer Zustand beobachtet. Er befindet sich direkt am Übergang zwischen Synchronisation und partieller Synchronisation. Solch ein System ist sehr gut analytisch beschreibbar. KW - Synchronization KW - Dynamical Systems KW - Coupled Systems KW - gekoppelte System KW - dynamische Systeme KW - Synchronisation Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-528943 ER - TY - JOUR A1 - Vollbrecht, Joachim A1 - Brus, Viktor V. T1 - Effects of recombination order on open-circuit voltage decay measurements of organic and perovskite solar cells JF - Energies : open-access journal of related scientific research, technology development and studies in policy and management / Molecular Diversity Preservation International (MDPI) N2 - Non-geminate recombination, as one of the most relevant loss mechanisms in organic and perovskite solar cells, deserves special attention in research efforts to further increase device performance. It can be subdivided into first, second, and third order processes, which can be elucidated by the effects that they have on the time-dependent open-circuit voltage decay. In this study, analytical expressions for the open-circuit voltage decay exhibiting one of the aforementioned recombination mechanisms were derived. It was possible to support the analytical models with experimental examples of three different solar cells, each of them dominated either by first (PBDBT:CETIC-4F), second (PM6:Y6), or third (irradiated CH3NH3PbI3) order recombination. Furthermore, a simple approach to estimate the dominant recombination process was also introduced and tested on these examples. Moreover, limitations of the analytical models and the measurement technique itself were discussed. KW - organic solar cells KW - perovskite solar cells KW - non-geminate recombination KW - recombination order KW - open-circuit voltage decay Y1 - 2021 U6 - https://doi.org/10.3390/en14164800 SN - 1996-1073 VL - 14 IS - 16 PB - MDPI CY - Basel ER - TY - JOUR A1 - Rikani, Albano A1 - Schewe, Jacob T1 - Global bilateral migration projections accounting for diasporas, transit and return flows, and poverty constraints JF - Demographic research N2 - BACKGROUND Anticipating changes in international migration patterns is useful for demographic studies and for designing policies that support the well-being of those involved. Existing forecasting methods do not account for a number of stylized facts that emerge from large-scale migration observations and theories: existing migrant communities - diasporas - act to lower migration costs and thereby provide a mechanism of self-amplification; return migration and transit migration are important components of global migration flows; and poverty constrains emigration. OBJECTIVE Here we present hindcasts and future projections of international migration that explicitly account for these nonlinear features. METHODS We develop a dynamic model that simulates migration flows by origin, destination, and place of birth. We calibrate the model using recently constructed global datasets of bilateral migration. RESULTS We show that the model reproduces past patterns and trends well based only on initial migrant stocks and changes in national incomes. We then project migration flows under future scenarios of global socioeconomic development. CONCLUSIONS Different assumptions about income levels and between-country inequality lead to markedly different migration trajectories, with migration flows either converging towards net zero if incomes in presently poor countries catch up with the rest of the world; or remaining high or even rising throughout the 21st century if economic development is slower and more unequal. Importantly, diasporas induce significant inertia and sizable return migration flows. KW - diaspora KW - international migration KW - migration transition KW - return migration KW - simulation model KW - transit migration Y1 - 2021 U6 - https://doi.org/10.4054/DemRes.2021.45.4 SN - 2363-7064 VL - 45 SP - 87 EP - 140 PB - Max Planck Inst. for Demographic Research CY - Rostock ER - TY - JOUR A1 - Keles, Engin A1 - Mallom, Matthias A1 - von Essen, Carolina A1 - Caroll, Thorsten A. A1 - Alexoudi, Xanthippi A1 - Pino, Lorenzo A1 - Ilyin, Ilya A1 - Poppenhäger, Katja A1 - Kitzmann, Daniel A1 - Nascimbeni, Valerino A1 - Turner, Jake D. A1 - Strassmeier, Klaus G. T1 - The potassium absorption on HD189733b and HD209458b JF - Monthly Notices of the Royal Astronomical Society: Letters N2 - In this work, we investigate the potassium excess absorption around 7699 Å of the exoplanets HD189733b and HD209458b. For this purpose, we used high-spectral resolution transit observations acquired with the 2 × 8.4 m Large Binocular Telescope (LBT) and the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI). For a bandwidth of 0.8 Å, we present a detection >7σ with an absorption level of 0.18 per cent for HD189733b. Applying the same analysis to HD209458b, we can set 3σ upper limit of 0.09 per cent, even though we do not detect a K-excess absorption. The investigation suggests that the K feature is less present in the atmosphere of HD209458b than in the one of HD189733b. This comparison confirms previous claims that the atmospheres of these two planets must have fundamentally different properties. Y1 - 2021 U6 - https://doi.org/10.1093/mnrasl/slz123 VL - 489 IS - 1 SP - L37 EP - L41 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Culpan, Rick A1 - Pelisoli, Ingrid A1 - Geier, Stephan T1 - Clean catalogues of blue horizontal-branch stars using Gaia EDR3 JF - Astronomy and astrophysics : an international weekly journal / European Southern Observatory (ESO) N2 - Context. Blue horizontal-branch stars evolve from low-mass stars that have completed their main-sequence lifetimes and undergone a helium flash at the end of their red-giant phase. As such, blue horizontal-branch stars are very old objects that can be used as markers in studies of the Galactic structure and formation history. To create a clean sky catalogue of blue horizontal-branch stars, we cross-matched the Gaia data release 2 (DR2) dataset with existing reference catalogues to define selection criteria based on Gaia DR2 parameters. Following the publication of Gaia early data release 3 (EDR3), these methods were verified and subsequently applied to this latest release. Aims. Previous catalogues of blue horizontal-branch stars were developed using spectral analyses or were restricted to individual globular clusters. The purpose of this catalogue is to identify a set of blue horizontal-branch star candidates that have been selected using photometric and astrometric observations and exhibits a low contamination rate. This has been deemed important as the success of the Gaia mission has changed the way that targets are selected for large-scale spectroscopic surveys, meaning that far fewer spectra will be acquired for blue horizontal-branch stars in the future unless they are specifically targeted.
Methods. We cross-matched reference blue horizontal-branch datasets with the Gaia DR2 database and defined two sets of selection criteria. Firstly, in Gaia DR2 - colour and absolute G magnitude space, and secondly, in Gaia DR2 - colour and reduced proper motion space. The main-sequence contamination in both subsets of the catalogue was reduced, at the expense of completeness, by concentrating on the Milky Way's Galactic halo, where relatively young main-sequence stars were not expected. The entire catalogue is limited to those stars with no apparent neighbours within 5 arcsec. These methods were verified and subsequently applied to the Gaia EDR3. Results. We present a catalogue, based on Gaia EDR3, of 57 377 blue horizontal-branch stars. The Gaia EDR3 parallax was used in selecting 16 794 candidates and the proper motions were used to identify a further 40 583 candidates. KW - Hertzsprung-Russell and C-M diagrams KW - stars: horizontal-branch KW - catalogs KW - Galaxy: stellar content Y1 - 2021 U6 - https://doi.org/10.1051/0004-6361/202040074 SN - 1432-0746 VL - 654 PB - EDP Sciences CY - Les Ulis ER - TY - THES A1 - Born, Artur T1 - Electronic structure, quasi-particle interaction and relaxation in 3d-elements from X-ray spectroscopy Y1 - 2021 ER - TY - JOUR A1 - Haverkamp, Robert A1 - Sorgenfrei, Nomi L. A. N. A1 - Giangrisostomi, Erika A1 - Neppl, Stefan A1 - Kühn, Danilo A1 - Föhlisch, Alexander T1 - Directional charge delocalization dynamics in semiconducting 2H-MoS2 and metallic 1T-LixMoS2 JF - Scientific reports N2 - The layered dichalcogenide MoS2 is relevant for electrochemical Li adsorption/intercalation, in the course of which the material undergoes a concomitant structural phase transition from semiconducting 2H-MoS2 to metallic 1T-LixMoS2. With the core hole clock approach at the S L1 X-ray absorption edge we quantify the ultrafast directional charge transfer of excited S3p electrons in-plane () and out-of-plane (perpendicular to) for 2H-MoS2 as tau 2H,=0.38 +/- 0.08 fs and tau 2H,perpendicular to =0.33 +/- 0.06 fs and for 1T-LixMoS2 as tau 1T,=0.32 +/- 0.12 fs and tau 1T,perpendicular to =0.09 +/- 0.07 fs. The isotropic charge delocalization of S3p electrons in the semiconducting 2H phase within the S-Mo-S sheets is assigned to the specific symmetry of the Mo-S bonding arrangement. Formation of 1T-LixMoS2 by lithiation accelerates the in-plane charge transfer by a factor of similar to 1.2 due to electron injection to the Mo-S covalent bonds and concomitant structural repositioning of S atoms within the S-Mo-S sheets. For excitation into out-of-plane orbitals, an accelerated charge transfer by a factor of similar to 3.7 upon lithiation occurs due to S-Li coupling. Y1 - 2021 U6 - https://doi.org/10.1038/s41598-021-86364-2 SN - 2045-2322 VL - 11 IS - 1 PB - Macmillan Publishers Limited, part of Springer Nature CY - London ER - TY - JOUR A1 - Rüdiger, Günther A1 - Küker, Manfred T1 - Angular momentum transport by magnetoconvection and the magnetic modulation of the solar differential rotation JF - Astronomy and astrophysics : an international weekly journal / European Southern Observatory (ESO) N2 - In order to explain the variance of the solar rotation law during the activity minima and maxima, the angular momentum transport by rotating magnetoconvection is simulated in a convective box penetrated by an inclined azimuthal magnetic field. Turbulence-induced kinetic and magnetic stresses and the Lorentz force of the large-scale magnetic background field are the basic transporters of angular momentum. Without rotation, the sign of the magnetic stresses naturally depends on the signs of the field components as positive (negative) B theta B phi transport the angular momentum poleward (equatorward). For fast enough rotation, however, the turbulence-originated Reynolds stresses start to dominate the transport of the angular momentum flux. The simulations show that positive ratios of the two meridional magnetic field components to the azimuthal field reduce the inward radial as well as the equatorward latitudinal transport, which result from hydrodynamic calculations. Only for B theta B phi>0 (generated by solar-type rotation laws with an accelerated equator) does the magnetic-influenced rotation at the solar surface prove to be flatter than the nonmagnetic profile together with the observed slight spin-down of the equator. The latter phenomenon does not appear for antisolar rotation with polar vortex as well as for rotation laws with prevailing radial shear. KW - magnetic fields KW - Sun KW - rotation KW - convection Y1 - 2021 U6 - https://doi.org/10.1051/0004-6361/202039912 SN - 1432-0746 VL - 649 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Robinson, Matthew Scott A1 - Niebuhr, Mario A1 - Lever, Fabiano A1 - Mayer, Dennis A1 - Metje, Jan A1 - Gühr, Markus T1 - Ultrafast photo-ion probing of the ring-opening process in trans-stilbene oxide JF - Chemistry - a European journal N2 - The ultrafast photo-induced ring opening of the oxirane derivative trans-stilbene oxide has been studied through the use of ultrafast UV/UV pump-probe spectroscopy by using photo-ion detection. Single- and multiphoton probe paths and final states were identified through comparisons between UV power studies and synchrotron-based vacuum ultraviolet (VUV) single-photon ionization studies. Three major time-dependent features of the parent ion (sub-450 fs decay, (1.5 +/- 0.2) ps, and >100 ps) were observed. These decays are discussed in conjunction with the primary ring-opening mechanism of stilbene oxide, which occurs through C-C dissociation in the oxirane ring. The appearance of fragments relating to the masses of dehydrogenated diphenylmethane (167 amu) and dehydrogenated methylbenzene (90 amu) were also investigated. The appearance of the 167 amu fragment could suggest an alternative ultrafast ring-opening pathway via the dissociation of one of the C-O bonds within the oxirane ring. KW - femtochemistry KW - mass spectrometry KW - photochemistry KW - small ring systems KW - stilbene oxide Y1 - 2021 U6 - https://doi.org/10.1002/chem.202101343 SN - 1521-3765 VL - 27 IS - 44 SP - 11418 EP - 11427 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Kreuzer, Moritz A1 - Reese, Ronja A1 - Huiskamp, Willem Nicholas A1 - Petri, Stefan A1 - Albrecht, Torsten A1 - Feulner, Georg A1 - Winkelmann, Ricarda T1 - Coupling framework (1.0) for the PISM (1.1.4) ice sheet model and the MOMS (5.1.0) ocean model via the PICO ice shelf cavity model in an Antarctic domain JF - Geoscientific model development : an interactive open access journal of the European Geosciences Union N2 - The past and future evolution of the Antarctic Ice Sheet is largely controlled by interactions between the ocean and floating ice shelves. To investigate these interactions, coupled ocean and ice sheet model configurations are required. Previous modelling studies have mostly relied on high-resolution configurations, limiting these studies to individual glaciers or regions over short timescales of decades to a few centuries. We present a framework to couple the dynamic ice sheet model PISM (Parallel Ice Sheet Model) with the global ocean general circulation model MOM5 (Modular Ocean Model) via the ice shelf cavity model PICO (Pots-dam Ice-shelf Cavity mOdel). As ice shelf cavities are not resolved by MOM5 but are parameterized with the PICO box model, the framework allows the ice sheet and ocean components to be run at resolutions of 16 km and 3 degrees respectively. This approach makes the coupled configuration a useful tool for the analysis of interactions between the Antarctic Ice Sheet and the global ocean over time spans of the order of centuries to millennia. In this study, we describe the technical implementation of this coupling framework: sub-shelf melting in the ice sheet component is calculated by PICO from modelled ocean temperatures and salinities at the depth of the continental shelf, and, vice versa, the resulting mass and energy fluxes from melting at the ice-ocean interface are transferred to the ocean component. Mass and energy fluxes are shown to be conserved to machine precision across the considered component domains. The implementation is computationally efficient as it introduces only minimal overhead. Furthermore, the coupled model is evaluated in a 4000 year simulation under constant present-day climate forcing and is found to be stable with respect to the ocean and ice sheet spin-up states. The framework deals with heterogeneous spatial grid geometries, varying grid resolutions, and timescales between the ice and ocean component in a generic way; thus, it can be adopted to a wide range of model set-ups. Y1 - 2021 U6 - https://doi.org/10.5194/gmd-14-3697-2021 SN - 1991-959X SN - 1991-9603 VL - 14 IS - 6 SP - 3697 EP - 3714 PB - Copernicus CY - Göttingen ER - TY - JOUR A1 - Guggenberger, Tobias A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Fractional Brownian motion in superharmonic potentials and non-Boltzmann stationary distributions JF - Journal of physics : A, Mathematical and theoretical N2 - We study the stochastic motion of particles driven by long-range correlated fractional Gaussian noise (FGN) in a superharmonic external potential of the form U(x) proportional to x(2n) (n is an element of N). When the noise is considered to be external, the resulting overdamped motion is described by the non-Markovian Langevin equation for fractional Brownian motion. For this case we show the existence of long time, stationary probability density functions (PDFs) the shape of which strongly deviates from the naively expected Boltzmann PDF in the confining potential U(x). We analyse in detail the temporal approach to stationarity as well as the shape of the non-Boltzmann stationary PDF. A typical characteristic is that subdiffusive, antipersistent (with negative autocorrelation) motion tends to effect an accumulation of probability close to the origin as compared to the corresponding Boltzmann distribution while the opposite trend occurs for superdiffusive (persistent) motion. For this latter case this leads to distinct bimodal shapes of the PDF. This property is compared to a similar phenomenon observed for Markovian Levy flights in superharmonic potentials. We also demonstrate that the motion encoded in the fractional Langevin equation driven by FGN always relaxes to the Boltzmann distribution, as in this case the fluctuation-dissipation theorem is fulfilled. KW - anomalous diffusion KW - Boltzmann distribution KW - non-Gaussian distribution Y1 - 2021 U6 - https://doi.org/10.1088/1751-8121/ac019b SN - 1751-8113 SN - 1751-8121 VL - 54 IS - 29 PB - IOP Publ. Ltd. CY - Bristol ER - TY - THES A1 - Enkrott, Patrick T1 - Entwicklung des fachlichen Wissens angehender Physiklehrkräfte T1 - Pre-service physics teachers’ development of content knowledge N2 - Das Professionswissen einer Lehrkraft gilt als Voraussetzung für erfolgreichen Unterricht. Trotz großer Unterschiede der Professionswissensmodelle ist die Forschung sich aus theoretischer Sicht weitestgehend einig darüber, dass das fachliche und fachdidaktische Wissen wichtige Bestandteile des Professionswissens und damit bedeutsam für Unterrichtserfolg sind. Zurecht gibt es daher die Forderung, dass Lehrkräfte unter anderem ein ausgeprägtes fachliches Wissen benötigen, das sie in den verschiedensten Situationen ihres Berufslebens, wie z.B. dem Erklären von Konzepten und dem Planen von Unterricht einsetzen. Die Forschung untersucht aus diesem Grund schon seit über 30 Jahren die Bedeutung des Fachwissens einer Lehrkraft. Dabei werden die Betrachtungen des Fachwissens immer differenzierter. So hat sich in vielen Forschungsansätzen der Physikdidaktik eine Dreiteilung des Fachwissens in schulisches Wissen, vertieftes Schulwissen und universitäres Wissen durchgesetzt. Während das Schulwissen als jenes Wissen verstanden wird, das in der Schule gelehrt und gelernt wird, beschreibt die Facette des universitären Wissens die stark akademisch geprägte Wissensform, die zukünftige Physiklehrkräfte in den Fachveranstaltungen an der Universität erwerben sollen. Das vertiefte Schulwissen ist hingegen eine spezielle Form des fachlichen Wissens, die aus Forschungssicht als besonders wichtig für Lehrkräfte angenommen wird. Zusammengenommen sollen angehende Physiklehrkräfte alle genannten Facetten des Fachwissens, also Schulwissen, vertieftes Schulwissen und universitäres Wissen, während des Lehramtsstudiums Physik erwerben. Neben dem fachlichen Wissen benötigt eine Lehrkraft als wichtigen Bestandteil des Professionswissens auch noch fachdidaktisches Wissen, welches ebenfalls während des Studiums erworben werden soll. Gleichzeitig geht man in der Forschung davon aus, dass für die Entwicklung des fachdidaktischen Wissens fachliches Wissen eine Grundvoraussetzung ist. Es ist jedoch empirisch nahezu ungeklärt, wie sich das beschriebene Fachwissen und das fachdidaktische Wissen im Verlauf des Lehramtsstudiums Physik entwickeln oder wie sich diese Wissensformen gegenseitig beeinflussen. Darüber hinaus ist unklar, welche Herausforderungen sich aus der Leistungsheterogenität der Studienanfänger:innen ergeben. Bisherige Untersuchungen aus der Studienerfolgsforschung legen nahe, dass besonders das Vorwissen prognostisch für Studienerfolg ist. Die vorliegende Arbeit untersucht daher zunächst, wie sich das fachliche Wissen (Schulwissen, vertieftes Schulwissen, universitäres Wissen) von Lehrkräften im Verlauf des Bachelor- und Masterstudiums entwickelt. In einem nächsten Schritt wurde untersucht, wie sich Studierende mit einem geringen, mittleren bzw. hohen Fachwissen zum Beginn des Studiums über das Bachelorstudium entwickeln. Darüber hinaus wurde die Entwicklung des fachdidaktischen Wissens betrachtet und Zusammenhänge zum fachlichen Wissen in den Blick genommen. Durchgeführt wurde die vorliegende Studie im Längsschnitt im Verlauf von drei Jahren an 11 Hochschulen mit 145 Bachelorstudierenden und 73 Masterstudierenden. Die Bachelorstudierenden haben jährlich an einer Testung des fachlichen und fachdidaktischen Wissens teilgenommen. Die Masterstudierenden nahmen jeweils vor und nach einem einsemestrigen Schulpraktikum an den Erhebungen teil. Zur Testung wurde jeweils ein schriftliches Testinstrument verwendet. Das weiterentwickelte Fachwissensinstrument wurde zusätzlich ausführlichen Validierungsuntersuchungen unterzogen. Die Ergebnisse zeigen, dass sich das Schulwissen, das vertiefte Schulwissen und das universitäre Wissen sowohl im Bachelor- als auch Masterstudium signifikant weiterentwickeln. Auch für das fachdidaktische Wissen können signifikante Zuwächse über das Bachelor- und Masterstudium berichtet werden. Interessant ist dabei, dass eine starke Korrelation zwischen dem fachlichen Wissen zu Beginn des Studiums und dem Zuwachs des fachdidaktischen Wissens vom ersten zum dritten Semester erkennbar ist. Es liegen also erste Hinweise dafür vor, dass – wie in der Forschung vermutet – das fachliche Wissen eine Voraussetzung für die Entwicklung von fachdidaktischem Wissen ist. Die angesprochene Leistungsheterogenität zu Beginn des Studiums stellt dabei jedoch ein Hindernis für die Entwicklung des fachlichen Wissens dar. So holt die Gruppe der zu Beginn schwächeren Studierenden nicht einmal das Mittelfeld im Lauf des Studiums ein. Gleichzeitig ist zu beobachten, dass die Gruppe der stärksten Studierenden im Vergleich zu den übrigen Studierenden vom ersten zum dritten Semester überproportional dazulernt. Insgesamt bleibt das heterogene Leistungsbild im Verlauf des Studiums erhalten, was die Forderung nach Unterstützung für leistungsschwächere Studierende gerade zu Beginn des Studiums betont. Wie sich innerhalb der vorliegenden Untersuchung zeigte, könnte insbesondere ein ausgeprägtes mathematisches Vorwissen hilfreich sein, um fachliches Wissen zu entwickeln. Die bisher angebotenen Vorkurse scheinen dem Bedarf nicht gerecht zu werden und so könnte es lohnenswert sein, zusätzliche Veranstaltungen auch in Bezug auf fachliches Wissen in der gesamten Studieneingangsphase anzubieten. Forschungsergebnisse deuten darauf hin, dass insbesondere schwächere Studierende von einer klaren Strukturierung innerhalb dieser zusätzlichen Kurse profitieren könnten. Auch ein allgemeines Vorstudium könnte helfen, die Vorkenntnisse anzugleichen. N2 - A teacher’s professional knowledge is a prerequisite for successful teaching. Despite major differences in the models of professional knowledge, research agrees to a large extent from a theoretical perspective that content knowledge and pedagogical content knowledge is an important component of a teacher’s professional knowledge and thus essential for teaching successfully. There is a justified demand that teachers need, among other things, extensive content knowledge that they can use in various situations in their professional life, such as when explaining or planning lessons. This has generated over thirty years of research investigating the importance of a teacher's professional knowledge. In the process, the description of content knowledge has become increasingly differentiated. A three-way division of content knowledge into school knowledge, deeper school knowledge and university knowledge has become established in many research approaches to physics education/the teaching of physics. While school knowledge is understood as knowledge that is taught and learned in school, the concept of university knowledge describes the strongly academic form of knowledge that pre-service physics teachers should acquire in the course of university teacher training. Deeper school knowledge, on the other hand, is a special form of content knowledge that is assumed from a research perspective to be particularly important for teachers. Taken together, future physics teachers should acquire all the different types of knowledge mentioned above during their teacher training in physics. In addition to content knowledge, a teacher also needs pedagogical content knowledge as an important part of his or her professional knowledge, which should also be acquired during university teacher training. At the same time, research assumes that content knowledge is a basic requirement for the development of pedagogical content knowledge. There is, however, almost no empirical evidence for the development of this content knowledge or pedagogical content knowledge over the course of teacher training in physics, nor for the ways in which these forms of knowledge influence each other. Furthermore, it is unclear which challenges arise from the heterogeneity of performance exhibited by first-year students. Previous studies of student success suggest that previous knowledge is particularly prognostic for academic success. This study therefore first examines how teachers’ content knowledge (school knowledge, deeper school knowledge, university knowledge) develops over the course of bachelor’s and master's degrees. This study then investigates how students who start with low, medium, or high levels of content knowledge develop over the course of the bachelor's program. It also examines the development of pedagogical content knowledge and considers how this relates to content knowledge. This study was carried out in a longitudinal section over a period of three years at eleven universities with 145 bachelor's students and 73 master's students. The bachelor's students took part in an annual test of their content knowledge and pedagogical content knowledge. The master's students took part in the survey before and after a one semester internship at a school. A written test instrument was used for each survey. The refined test instrument for content knowledge was additionally subjected to extensive validation studies. The results show that school knowledge, deeper school knowledge and university knowledge are significantly developed in both the bachelor's and master's programs. Significant increases in pedagogical content knowledge can also be reported for the bachelor’s and master’s programmes. It is interesting to note that there is a strong correlation between content knowledge at the beginning of the programme and the increase in pedagogical content knowledge from the first to the third semester. Thus, there are initial indications that, as assumed in research, content knowledge is a prerequisite for the development of pedagogical knowledge. However, the heterogeneity of performance at the beginning of university teacher training is an obstacle to the development of content knowledge. The group of underperforming students failed to catch up with the midfield over the course of their degree. At the same time, it can be observed that the group of best-performing students learned disproportionately more from the first to the third semester compared to the other students. This heterogeneous performance pattern remains throughout the course of university teacher training in physics, which emphasises the need for support for underperforming students, especially at the beginning of their studies. The study showed that deep mathematical knowledge could be particularly helpful in order to develop content knowledge. Yet the preliminary courses offered so far do not seem to meet demand; hence it could be worthwhile to offer additional courses that also build content knowledge during the entire introductory phase of university teacher training. Research results indicate that especially underperforming students could benefit from a clear structure within these additional courses. A general pre-study program could also help to align previous knowledge. KW - Fachwissen KW - Fachwissensentwicklung KW - vertieftes Schulwissen KW - Längschnitt KW - Physik Lehramt KW - Content Knowledge KW - Development of Content Knowledge KW - Deeper School Knowledge KW - Physics Education KW - Pre-Service Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-500402 ER - TY - JOUR A1 - Kumar, Mohit A1 - Rosenblum, Michael T1 - Two mechanisms of remote synchronization in a chain of Stuart-Landau oscillators JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - Remote synchronization implies that oscillators interacting not directly but via an additional unit (hub) adjust their frequencies and exhibit frequency locking while the hub remains asynchronous. In this paper, we analyze the mechanisms of remote synchrony in a small network of three coupled Stuart-Landau oscillators using recent results on higher-order phase reduction. We analytically demonstrate the role of two factors promoting remote synchrony. These factors are the nonisochronicity of oscillators and the coupling terms appearing in the secondorder phase approximation. We show a good correspondence between our theory and numerical results for small and moderate coupling strengths. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.054202 SN - 2470-0045 SN - 2470-0053 VL - 104 IS - 5 PB - American Physical Society CY - College Park ER - TY - THES A1 - Cotesta, Roberto T1 - Multipolar gravitational waveforms for spinning binary black holes and their impact on source characterization T1 - Multipolare Gravitationswellenformen für binäre Schwarze Löcher mit Spin und deren Einfluss auf die Quellencharakterisierung N2 - In the last five years, gravitational-wave astronomy has gone from a purerly theoretical field into a thriving experimental science. Several gravitational- wave signals, emitted by stellar-mass binary black holes and binary neutron stars, have been detected, and many more are expected in the future as consequence of the planned upgrades in the gravitational-wave detectors. The observation of the gravitational-wave signals from these systems, and the characterization of their sources, heavily relies on the precise models for the emitted gravitational waveforms. To take full advantage of the increased detector sensitivity, it is then necessary to also improve the accuracy of the gravitational-waveform models. In this work, I present an updated version of the waveform models for spinning binary black holes within the effective-one-body formalism. This formalism is based on the notion that the solution to the relativistic two- body problem varies smoothly with the mass ratio of the binary system, from the equal-mass regime to the test-particle limit. For this reason, it provides an elegant method to combine, under a unique framework, the solution to the relativistic two-body problem in different regimes. The main two regimes that are combined under the effective-one-body formalism are the slow-motion, weak field limit (accessible through the post-Newtonian theory), and the extreme mass-ratio regime (described using the black-hole- perturbation theory). This formalism is nevertheless flexible enough to integrate information about the solution to the relativistic two-body problem obtained using other techniques, such as numerical relativity. The novelty of the waveform models presented in this work is the inclusion of beyond-quadupolar terms in the waveforms emitted by spinning binary black holes. In fact, while the time variation of the source quadupole moment is the leading contribution to the waveforms emitted by binary black holes observable by LIGO and Virgo detectors, beyond-quadupolar terms can be important for binary systems with asymmetric masses, large total mass, or observed with large inclination angle with respect to the orbital angular momentum of the binary. For this purpose, I combine the approximate analytic expressions of these beyond-quadupolar terms, with their calculations from numerical relativity, to develop an accurate waveform model including inspiral, merger and ringdown for spinning binary black holes. I first construct this model in the simplified case of black holes with spins aligned with the orbital angular momentum of the binary, then I extend it to the case of generic spin orientations. Finally, I test the accuracy of both these models against a large number of waveforms obtained from numerical relativity. The waveform models I present in this work are the state of the art for spinning binary black holes, without restrictions in the allowed values for the masses and the spins of the system. The measurement of the source properties of a binary system emitting gravitational waves requires to compute O(107 − 109) different waveforms. Since the waveform models mentioned before can require O(1 − 10)s to generate a single waveform, they can be difficult to use in data-analysis studies given the increasing number of sources observed by the LIGO and Virgo detectors. To overcome this obstacle, I use the reduced-order-modeling technique to develop a faster version of the waveform model for black holes with spins aligned to the orbital angular momentum of the binary. This version of the model is as accurate as the original and reduces the time for evaluating a waveform by two orders of magnitude. The waveform models developed in this thesis have been used by the LIGO and Virgo collaborations in the inference of the source parameters of the gravitational-wave signals detected during the second observing run (O2), and first half of the third observing run (O3a) of LIGO and Virgo detectors. Here, I present a study on the source properties of the signals GW170729 and GW190412, for which I have been directly involved in the analysis. In addition, these models have been used by the LIGO and Virgo collaborations to perform tests on General Relativity employing the gravitational-wave signals detected during O3a, and to analyze the population of the observed binary black holes. N2 - Das Feld der Gravitationswellenastronomie hat sich in den letzten fünf Jahren von einem ausschließlich theoretischen Forschungsgebiet zu einer aufstrebenden experimentellen Wissenschaft entwickelt. Gravitationswellendetektoren haben bereits mehrere Signale gemessen die von binären Schwarzen Löchern und Neutronensternen im Sonnenmassenbereich entstanden sind. Viele weitere solcher Signale werden erwartet sobald die geplanten Aufrüstungen der Detektoren vollzogen wurden. Sowohl der Messung dieser Signale als auch der Charakterisierung ihrer astronomischen Quellen liegen größtenteils Modelle der erwarteten Gravitationswellenformen zugrunde. Um die steigende Sensibilität der Gravitationswellendetektoren voll ausschöpfen zu können ist es daher auch notwendig die Genauigkeit der Gravitationswellenmodelle zu steigern. In dieser Arbeit stelle ich aktualisierte Gravitationswellenmodelle für binäre Schwarze Löcher mit Spin vor die auf dem "effective-onebody" Formalismus beruhen. Dieser Formalismus basiert auf der Annahme, dass die Lösung des relativistischen Zweikörperproblems glatt mit dem Massenverhältnis des Binärsystems variiert, welches sich vom Regime gleicher Massen bis zum Testteilchenlimit erstreckt. Damit stellt der Formalismus eine elegante Methode dar die Lösungen des relativistischen Zweikörperproblems in verschiedenen Regimen zu verbinden. Er findet größtenteils Anwendung um das Regime langsamer Bewegung in schwacher Gravitation (beschrieben durch postnewtonische Theorie) mit dem Regime extremer Massenverhältnisse (beschrieben durch Störungstheorie) zu verbinden. Der Formalismus ist jedoch ebenso anwendbar um Informationen zur Lösung des relativistischen Zweikörperproblems von anderen Methoden zu integrieren, wie beispielsweise Ergebnisse der Numerischen Relativität. Die Neuheiten die diese Arbeit präsentiert umfassen zuvorderst die Einbindung von multipolaren Beiträgen in den Gravitationswellenformen von binären Schwarzen Löchern mit Spin die über den quadrupolaren Beitrag hinausgehen. Während die Zeitentwicklung des Quadrupolmoments typischerweise die Wellenformen von binären Schwarzen Löchern dominiert, die von den LIGO und Virgo Detektoren gemessen werden können, werden Beiträge höherer Multipolmomente insbesondere für Binärsysteme wichtig die asymmetrischen Massen, eine hohe Gesamtmasse oder einen Beobachtungswinkel der stark von der Drehimpulsachse des Orbits abweicht aufweisen. Für diesen Anwendungsbereich kombiniere ich Näherungen der analytischen Ausdrücke dieser höheren Multipolbeiträge mit Ergebnissen aus der Numerischen Relativität um ein Gravitationswellenmodell zu entwickeln welches die Phasen der Einspiralung, der Verschmelzung und des Abklingens von binären Schwarzen Löchern mit Spin mit hoher Genauigkeit beschreibt. Zunächst konstruiere ich das Modell für den einfacheren Fall von Schwarzen Löchern, deren Spins entlang des Drehimpulses ihres Orbits orientiert sind, und verallgemeinere das Modell anschließend für beliebige Orientierungen der Spins. Abschließend teste ich die Genauigkeit dieser beider Modelle anhand einer großen Zahl von Wellenformen aus der Numerischen Relativität. Die Wellenformen, die ich in dieser Arbeit präsentiere, entsprechen dem aktuellen Forschungsstand für binäre Schwarze Löcher mit Spin und enthalten keine Beschränkungen der Massen oder Spins. Um von einem gemessenen Gravitationswellensignal auf Eigenschaften des Binärsystems, welches das Signal produziert hat, schließen zu können ist es notwendig O(107 - 109) verschiedene Wellenformen zu berechnen. Da die oben beschriebenen Modelle jedoch O(1 - 10)s benötigen können um eine einzige Wellenform zu berechnen sind sie in dieser Form für die Datenanalyse der steigenden Zahl von Signalen, die von den LIGO und Virgo Detektoren gemessen werden, nur eingeschränkt brauchbar. Um diese Hürde zu überwinden entwickele ich mithilfe der "reduced-order-modeling" Methode eine schnellere Version der Wellenformmodelle für binäre Schwarze Löcher, deren Spins entlang des Drehimpulses ihres Orbits orientiert sind. Diese Version der Modelle ist ebenso genau wie das Original, reduziert jedoch die Evaluationszeit einer Wellenform um zwei Größenordnungen. Die in dieser Arbeit entwickelten Wellenformmodelle wurden bereits von den LIGO und Virgo Kollaborationen verwendet um Gravitationswellensignale zu analysieren die während des zweiten Beobachtungslaufs (O2) und der ersten Hälfte des dritten Beobachtungslaufs (O3a) der LIGO und Virgo Detektoren gemessen wurden. Hier präsentiere ich eine Studie der Quellencharakterisierung der Signale GW170729 und GW190412, bei denen ich direkt an der Analyse beteiligt war. Die Modelle wurden außerdem bereits von den LIGO und Virgo Kollaborationen verwendet um Test der Allgemeinen Relativitätstheorie mithilfe von Gravitationswellensignalen des O3a durchzuführen, und um die Population der gemessenen binären Schwarzen Löcher. KW - gravitational waves KW - binary black holes KW - binäre Schwarze Löcher KW - Gravitationswellen KW - gravitational-wave astronomy KW - Gravitationswellenastronomie KW - LIGO KW - LIGO KW - Virgo KW - Virgo KW - multipolar gravitational waves KW - Multipolare Gravitationswellenformen Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-508236 ER - TY - JOUR A1 - Magkos, Sotirios A1 - Kupsch, Andreas A1 - Bruno, Giovanni T1 - Suppression of cone-beam artefacts with Direct Iterative Reconstruction Computed Tomography Trajectories (DIRECTT) JF - Journal of imaging : open access journal N2 - The reconstruction of cone-beam computed tomography data using filtered back-projection algorithms unavoidably results in severe artefacts. We describe how the Direct Iterative Reconstruction of Computed Tomography Trajectories (DIRECTT) algorithm can be combined with a model of the artefacts for the reconstruction of such data. The implementation of DIRECTT results in reconstructed volumes of superior quality compared to the conventional algorithms. KW - iteration method KW - signal processing KW - X-ray imaging KW - computed tomography Y1 - 2021 U6 - https://doi.org/10.3390/jimaging7080147 SN - 2313-433X VL - 7 IS - 8 PB - MDPI CY - Basel ER - TY - JOUR A1 - Shoaee, Safa A1 - Sanna, Anna Laura A1 - Sforazzini, Giuseppe T1 - Elucidating charge generation in green-solvent processed organic solar cells JF - Molecules : a journal of synthetic chemistry and natural product chemistry / Molecular Diversity Preservation International N2 - Organic solar cells have the potential to become the cheapest form of electricity. Rapid increase in the power conversion efficiency of organic solar cells (OSCs) has been achieved with the development of non-fullerene small-molecule acceptors. Next generation photovoltaics based upon environmentally benign "green solvent" processing of organic semiconductors promise a step-change in the adaptability and versatility of solar technologies and promote sustainable development. However, high-performing OSCs are still processed by halogenated (non-environmentally friendly) solvents, so hindering their large-scale manufacture. In this perspective, we discuss the recent progress in developing highly efficient OSCs processed from eco-compatible solvents, and highlight research challenges that should be addressed for the future development of high power conversion efficiencies devices. KW - organic solar cells KW - green solvents KW - non-halogenated solvents KW - exaction KW - diffusion KW - photoluminescence quenching Y1 - 2021 U6 - https://doi.org/10.3390/molecules26247439 SN - 1420-3049 VL - 26 IS - 24 PB - MDPI CY - Basel ER - TY - JOUR A1 - Zuo, Guangzheng A1 - Shoaee, Safa A1 - Kemerink, Martijn A1 - Neher, Dieter T1 - General rules for the impact of energetic disorder and mobility on nongeminate recombination in phase-separated organic solar cells JF - Physical review applied N2 - State-of-the-art organic solar cells exhibit power conversion efficiencies of 18% and above. These devices benefit from the suppression of free charge recombination with regard to the Langevin limit of charge encounter in a homogeneous medium. It is recognized that the main cause of suppressed free charge recombination is the reformation and resplitting of charge-transfer (CT) states at the interface between donor and acceptor domains. Here, we use kinetic Monte Carlo simulations to understand the interplay between free charge motion and recombination in an energetically disordered phase-separated donor-acceptor blend. We identify conditions for encounter-dominated and resplitting-dominated recombination. In the former regime, recombination is proportional to mobility for all parameters tested and only slightly reduced with respect to the Langevin limit. In contrast, mobility is not the decisive parameter that determines the nongeminate recombination coefficient, k(2), in the latter case, where k2 is a sole function of the morphology, CT and charge-separated (CS) energetics, and CT-state decay properties. Our simulations also show that free charge encounter in the phase-separated disordered blend is determined by the average mobility of all carriers, while CT reformation and resplitting involves mostly states near the transport energy. Therefore, charge encounter is more affected by increased disorder than the resplitting of the CT state. As a consequence, for a given mobility, larger energetic disorder, in combination with a higher hopping rate, is preferred. These findings have implications for the understanding of suppressed recombination in solar cells with nonfullerene acceptors, which are known to exhibit lower energetic disorder than that of fullerenes. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevApplied.16.034027 SN - 2331-7019 VL - 16 IS - 3 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Krtička, Jiří A1 - Feldmeier, Achim T1 - Stochastic light variations in hot stars from wind instability BT - finding photometric signatures and testing against the TESS data JF - Astronomy and astrophysics : an international weekly journal / European Southern Observatory (ESO) N2 - Context Line-driven wind instability is expected to cause small-scale wind inhomogeneities, X-ray emission, and wind line profile variability. The instability can already develop around the sonic point if it is initiated close to the photosphere due to stochastic turbulent motions. In such cases, it may leave its imprint on the light curve as a result of wind blanketing. Aims We study the photometric signatures of the line-driven wind instability. Methods We used line-driven wind instability simulations to determine the wind variability close to the star. We applied two types of boundary perturbations: a sinusoidal one that enables us to study in detail the development of the instability and a stochastic one given by a Langevin process that provides a more realistic boundary perturbation. We estimated the photometric variability from the resulting mass-flux variations. The variability was simulated assuming that the wind consists of a large number of independent conical wind sectors. We compared the simulated light curves with TESS light curves of OB stars that show stochastic variability. Results We find two typical signatures of line-driven wind instability in photometric data: a knee in the power spectrum of magnitude fluctuations, which appears due to engulfment of small-scale structure by larger structures, and a negative skewness of the distribution of fluctuations, which is the result of spatial dominance of rarefied regions. These features endure even when combining the light curves from independent wind sectors. Conclusions The stochastic photometric variability of OB stars bears certain signatures of the line-driven wind instability. The distribution function of observed photometric data shows negative skewness and the power spectra of a fraction of light curves exhibit a knee. This can be explained as a result of the line-driven wind instability triggered by stochastic base perturbations. KW - stars: winds KW - outflows KW - stars: mass-loss KW - stars: early-type KW - hydrodynamics KW - instabilities KW - stars: variables: general Y1 - 2021 U6 - https://doi.org/10.1051/0004-6361/202040148 SN - 1432-0746 VL - 648 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Hannemann, Mandy A1 - Wegner, Gino A1 - Henkel, Carsten T1 - No-slip boundary conditions for electron hydrodynamics and the thermal Casimir pressure JF - Universe : open access journal N2 - We derive modified reflection coefficients for electromagnetic waves in the THz and far infrared range. The idea is based on hydrodynamic boundary conditions for metallic conduction electrons. The temperature-dependent part of the Casimir pressure between metal plates is evaluated. The results should shed light on the "thermal anomaly," where measurements deviate from the standard fluctuation electrodynamics for conducting metals. KW - dispersion force KW - metal optics KW - Drude model KW - hydrodynamic model KW - spatial KW - dispersion KW - viscosity KW - non-contact heat transfer Y1 - 2021 U6 - https://doi.org/10.3390/universe7040108 SN - 2218-1997 VL - 7 IS - 4 PB - MDPI CY - Basel ER - TY - JOUR A1 - Mutothya, Nicholas Mwilu A1 - Xu, Yong A1 - Li, Yongge A1 - Metzler, Ralf T1 - Characterising stochastic motion in heterogeneous media driven by coloured non-Gaussian noise JF - Journal of physics : A, Mathematical and theoretical N2 - We study the stochastic motion of a test particle in a heterogeneous medium in terms of a position dependent diffusion coefficient mimicking measured deterministic diffusivity gradients in biological cells or the inherent heterogeneity of geophysical systems. Compared to previous studies we here investigate the effect of the interplay of anomalous diffusion effected by position dependent diffusion coefficients and coloured non-Gaussian noise. The latter is chosen to be distributed according to Tsallis' q-distribution, representing a popular example for a non-extensive statistic. We obtain the ensemble and time averaged mean squared displacements for this generalised process and establish its non-ergodic properties as well as analyse the non-Gaussian nature of the associated displacement distribution. We consider both non-stratified and stratified environments. KW - diffusion KW - anomalous diffusion KW - non-extensive statistics KW - coloured KW - noise KW - heterogeneous diffusion process Y1 - 2021 U6 - https://doi.org/10.1088/1751-8121/abfba6 SN - 1751-8113 SN - 1751-8121 VL - 54 IS - 29 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Henkel, Carsten T1 - Heat transfer and entanglement BT - non-equilibrium correlation spectra of two quantum oscillators JF - Annalen der Physik N2 - The non-equilibrium state of two oscillators with a mutual interaction and coupled to separate heat baths is discussed. Bosonic baths are considered, and an exact spectral representation for the elements of the covariance matrix is provided analytically. A wide class of spectral densities for the relevant bath modes is allowed for. The validity of the fluctuation-dissipation relation is established for global equilibrium (both baths at the same temperature) in the stationary state. Spectral measures of entanglement are suggested by comparing to the equilibrium spectrum of zero-point fluctuations. No rotating-wave approximation is applied, and anomalous heat transport from cold to hot bath, as reported in earlier work, is demonstrated not to occur. KW - entanglement KW - heat transfer KW - non-equilibrium steady state KW - master KW - equation KW - quantum thermodynamics Y1 - 2021 U6 - https://doi.org/10.1002/andp.202100089 SN - 0003-3804 SN - 1521-3889 VL - 533 IS - 10 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Horovitz, Baruch A1 - Henkel, Carsten T1 - Spin entanglement via scanning tunneling microscope current JF - Physical review : B, Condensed matter and materials physics N2 - We consider a system of two spins under a scanning tunneling microscope bias and derive its master equation. We find that the tunneling elements to the electronic contacts (tip and substrate) generate an exchange interaction between the spins as well as a Dzyaloshinskii-Moriya interaction in the presence of spin-orbit coupling. The tunnel current spectrum then shows additional lines compared to conventional spin-resonance experiments. When the spins have degenerate Larmor frequencies and equal tunneling amplitudes (without spin orbit), there is a dark state with a vanishing decay rate. The coupling to the electronic environment generates significant spin-spin entanglement via the dark state, even if the initial state is nonentangled. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevB.104.L081405 SN - 2469-9950 SN - 2469-9969 VL - 104 IS - 8 PB - American Physical Society CY - Ridge, NY ER - TY - GEN A1 - Lever, Fabiano A1 - Mayer, Dennis A1 - Metje, Jan A1 - Alisauskas, Skirmantas A1 - Calegari, Francesca A1 - Düsterer, Stefan A1 - Feifel, Raimund A1 - Niebuhr, Mario A1 - Manschwetus, Bastian A1 - Kuhlmann, Marion A1 - Mazza, Tommaso A1 - Robinson, Matthew Scott A1 - Squibb, Richard J. A1 - Trabattoni, Andrea A1 - Wallner, Måns A1 - Wolf, Thomas J. A. A1 - Gühr, Markus T1 - Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1180 KW - X-ray KW - photoelectron KW - sulfur KW - thiouracil KW - nucleobases KW - Coster–Kronig KW - Auger–Meitner KW - NEXAFS KW - FLASH Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-524091 SN - 1866-8372 IS - 21 ER - TY - JOUR A1 - Lever, Fabiano A1 - Mayer, Dennis A1 - Metje, Jan A1 - Alisauskas, Skirmantas A1 - Calegari, Francesca A1 - Düsterer, Stefan A1 - Feifel, Raimund A1 - Niebuhr, Mario A1 - Manschwetus, Bastian A1 - Kuhlmann, Marion A1 - Mazza, Tommaso A1 - Robinson, Matthew Scott A1 - Squibb, Richard J. A1 - Trabattoni, Andrea A1 - Wallner, Måns A1 - Wolf, Thomas J. A. A1 - Gühr, Markus T1 - Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser JF - Molecules N2 - In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster–Kronig and Auger–Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy. KW - X-ray KW - photoelectron KW - sulfur KW - thiouracil KW - nucleobases KW - Coster–Kronig KW - Auger–Meitner KW - NEXAFS KW - FLASH Y1 - 2021 SN - 1420-3049 VL - 26 IS - 21 PB - MDPI CY - Basel ER - TY - JOUR A1 - Feudel, Fred A1 - Feudel, Ulrike T1 - Bifurcations in rotating spherical shell convection under the influence of differential rotation JF - Chaos : an interdisciplinary journal of nonlinear science N2 - The bifurcations of thermal convection in a rotating spherical shell heated from the inner sphere and driven by the buoyancy of a central gravity field are studied numerically. This model of spherical Rayleigh-Benard convection describes large-scale convection in planets and in the outer zones of celestial bodies. In this work, the influence of an additionally imposed differential rotation of the inner sphere with respect to the outer one on the heat transfer and, more generally, on the whole bifurcation structure is investigated. In addition to numerical simulations, path-following techniques are applied in order to compute both stable and unstable solution branches. The dynamics and the heat transfer are essentially determined by a global bifurcation, which we have identified as a homoclinic bifurcation that consists of a collision of a stable modulated rotating with an unstable rotating wave. Y1 - 2021 U6 - https://doi.org/10.1063/5.0063113 SN - 1054-1500 SN - 1089-7682 VL - 31 IS - 11 PB - AIP CY - Melville ER - TY - JOUR A1 - Köhler, Raphael H. A1 - Handorf, Dörthe A1 - Jaiser, Ralf A1 - Dethloff, Klaus A1 - Zängl, Günther A1 - Majewski, Detlev A1 - Rex, Markus T1 - Improved circulation in the Northern hemisphere by adjusting gravity wave drag parameterizations in seasonal experiments with ICON-NWP JF - Earth and Space Science : ESS N2 - The stratosphere is one of the main potential sources for subseasonal to seasonal predictability in midlatitudes in winter. The ability of an atmospheric model to realistically simulate the stratospheric dynamics is essential in order to move forward in the field of seasonal predictions in midlatitudes. Earlier studies with the ICOsahedral Nonhydrostatic atmospheric model (ICON) point out that stratospheric westerlies in ICON are underestimated. This is the first extensive study on the evaluation of Northern Hemisphere stratospheric winter circulation with ICON in numerical weather prediction (NWP) mode. Seasonal experiments with the default setup are able to reproduce the basic climatology of the stratospheric polar vortex. However, westerlies are too weak and major stratospheric warmings too frequent in ICON. Both a reduction of the nonorographic, and a reduction of the orographic gravity wave and wake drag lead to a strengthening of the stratospheric vortex and a bias reduction, in particular in January. However, the effect of the nonorographic gravity wave drag scheme on the stratosphere is stronger. Stratosphere-troposphere coupling is intensified and more realistic due to a reduced gravity wave drag. Furthermore, an adjustment of the subgrid-scale orographic drag parameterization leads to a significant error reduction in the mean sea level pressure. As a result of these findings, we present our current suggested improved setup for seasonal experiments with ICON-NWP.
Plain Language Summary Although seasonal forecasts for midlatitudes have the potential to be highly beneficial to the public sector, they are still characterized by a large amount of uncertainty. Exact simulations of the circulation in the stratosphere can help to improve tropospheric predictability on seasonal time scales. For this reason, we investigate how well the new German atmospheric model is able to simulate the stratospheric circulation. The model reproduces the basic behavior of the Northern Hemisphere stratospheric polar vortex, but the westerly circulation in winter is underestimated. The stratospheric circulation is influenced by gravity waves that exert drag on the flow. These processes are only partly physically represented in the model, but are very important and are hence parameterized. By adjusting the parameterizations for the gravity wave drag, the stratospheric polar vortex is strengthened, thereby yielding a more realistic stratospheric circulation. In addition, the altered parameterizations improve the simulated surface pressure pattern. Based upon this, we present our current suggested improved model setup for seasonal experiments. Y1 - 2021 U6 - https://doi.org/10.1029/2021EA001676 SN - 2333-5084 VL - 8 IS - 3 PB - American Geophysical Union CY - Malden, Mass. ER - TY - JOUR A1 - Pikovskij, Arkadij T1 - Transition to synchrony in chiral active particles JF - Journal of physics. Complexity N2 - I study deterministic dynamics of chiral active particles in two dimensions. Particles are considered as discs interacting with elastic repulsive forces. An ensemble of particles, started from random initial conditions, demonstrates chaotic collisions resulting in their normal diffusion. This chaos is transient, as rather abruptly a synchronous collisionless state establishes. The life time of chaos grows exponentially with the number of particles. External forcing (periodic or chaotic) is shown to facilitate the synchronization transition. KW - active particles KW - chirality KW - synchronization KW - chaos KW - transient chaos Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/abdadb SN - 2632-072X VL - 2 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Pikovskij, Arkadij T1 - Chimeras on a social-type network JF - Mathematical modelling of natural phenomena : MMNP N2 - We consider a social-type network of coupled phase oscillators. Such a network consists of an active core of mutually interacting elements, and of a flock of passive units, which follow the driving from the active elements, but otherwise are not interacting. We consider a ring geometry with a long-range coupling, where active oscillators form a fluctuating chimera pattern. We show that the passive elements are strongly correlated. This is explained by negative transversal Lyapunov exponents. KW - Network KW - Chimera KW - correlations KW - Lyapunov exponent Y1 - 2021 U6 - https://doi.org/10.1051/mmnp/2021012 SN - 0973-5348 SN - 1760-6101 VL - 16 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Zheng, Chunming A1 - Toenjes, Ralf A1 - Pikovskij, Arkadij T1 - Transition to synchrony in a three-dimensional swarming model with helical trajectories JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - We investigate the transition from incoherence to global collective motion in a three-dimensional swarming model of agents with helical trajectories, subject to noise and global coupling. Without noise this model was recently proposed as a generalization of the Kuramoto model and it was found that alignment of the velocities occurs discontinuously for arbitrarily small attractive coupling. Adding noise to the system resolves this singular limit and leads to a continuous transition, either to a directed collective motion or to center-of-mass rotations. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.014216 SN - 2470-0045 SN - 2470-0053 VL - 104 IS - 1 PB - American Physical Society CY - College Park ER - TY - GEN A1 - Rosenblum, Michael A1 - Pikovskij, Arkadij A1 - Kühn, Andrea A. A1 - Busch, Johannes Leon T1 - Real-time estimation of phase and amplitude with application to neural data T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Computation of the instantaneous phase and amplitude via the Hilbert Transform is a powerful tool of data analysis. This approach finds many applications in various science and engineering branches but is not proper for causal estimation because it requires knowledge of the signal’s past and future. However, several problems require real-time estimation of phase and amplitude; an illustrative example is phase-locked or amplitude-dependent stimulation in neuroscience. In this paper, we discuss and compare three causal algorithms that do not rely on the Hilbert Transform but exploit well-known physical phenomena, the synchronization and the resonance. After testing the algorithms on a synthetic data set, we illustrate their performance computing phase and amplitude for the accelerometer tremor measurements and a Parkinsonian patient’s beta-band brain activity. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1241 Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-549630 SN - 1866-8372 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Rosenblum, Michael A1 - Pikovskij, Arkadij A1 - Kühn, Andrea A. A1 - Busch, Johannes Leon T1 - Real-time estimation of phase and amplitude with application to neural data JF - Scientific reports N2 - Computation of the instantaneous phase and amplitude via the Hilbert Transform is a powerful tool of data analysis. This approach finds many applications in various science and engineering branches but is not proper for causal estimation because it requires knowledge of the signal’s past and future. However, several problems require real-time estimation of phase and amplitude; an illustrative example is phase-locked or amplitude-dependent stimulation in neuroscience. In this paper, we discuss and compare three causal algorithms that do not rely on the Hilbert Transform but exploit well-known physical phenomena, the synchronization and the resonance. After testing the algorithms on a synthetic data set, we illustrate their performance computing phase and amplitude for the accelerometer tremor measurements and a Parkinsonian patient’s beta-band brain activity. Y1 - 2021 U6 - https://doi.org/10.1038/s41598-021-97560-5 SN - 2045-2322 VL - 11 PB - Springer Nature CY - London ER - TY - JOUR A1 - Vanaraj, Viswajith A1 - Niederhofer, Florian A1 - Goudfrooij, Paul T1 - Role of host galaxy in the formation of multiple stellar populations BT - analysis of NGC 1786 and NGC 1898 JF - Monthly notices of the Royal Astronomical Society N2 - Even after decades of research, the origin of multiple stellar populations in globular clusters (GCs) remains enigmatic. The question as to whether the galaxy environment plays a role in their formation remains unanswered. To that extent, we analysed two classical (>10 Gyr old) Large Magellanic Cloud GCs, NGC 1786 and NGC 1898, using imaging data from Hubble Space Telescope to compare and contrast them with ancient Galactic GCs to assess systematic differences that might exist between their abundance variations. We calculated their red giant branch width, subtracted the effect of metallicity, and compared it with the available data on Galactic GCs by plotting them against initial and current cluster mass. We see that the two clusters follow the same general trend as that of the Galactic GCs, and Galactic GCs from different progenitors follow the same general trend as one another, indicating that the galaxy environment may only play a minor role in the formation of multiple stellar populations within GCs. KW - Hertzsprung-Russell and colour-magnitude diagrams KW - globular clusters: general KW - galaxies: individual: LMC KW - galaxies: star clusters: individual KW - NGC 1786 KW - NGC 1898 Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab2094 SN - 0035-8711 SN - 1365-2966 VL - 507 IS - 1 SP - 282 EP - 299 PB - Oxford University Press CY - Oxford ER - TY - JOUR A1 - Werhahn, Maria A1 - Pfrommer, Christoph A1 - Girichidis, Philipp A1 - Puchwein, Ewald A1 - Pakmor, Rüdiger T1 - Cosmic rays and non-thermal emission in simulated galaxies BT - I. Electron and proton spectra compared to Voyager-1 data JF - Monthly notices of the Royal Astronomical Society N2 - Current-day cosmic ray (CR) propagation studies use static Milky Way models and fit parametrized source distributions to data. Instead, we use three-dimensional magnetohydrodynamic (MHD) simulations of isolated galaxies with the moving-mesh code arepo that self-consistently accounts for hydrodynamic effects of CR protons. In post-processing, we calculate their steady-state spectra, taking into account all relevant loss processes. We show that this steady-state assumption is well justified in the disc and generally for regions that emit non-thermal radio and gamma rays. Additionally, we model the spectra of primary electrons, accelerated by supernova remnants, and secondary electrons and positrons produced in hadronic CR proton interactions with the gas. We find that proton spectra above 10 GeV only weakly depend on galactic radius, while they acquire a radial dependence at lower energies due to Coulomb interactions. Radiative losses steepen the spectra of primary CR electrons in the central galactic regions, while diffusive losses dominate in the outskirts. Secondary electrons exhibit a steeper spectrum than primaries because they originate from the transported steeper CR proton spectra. Consistent with Voyager-1 and AMS-02 data, our models (i) show a turnover of proton spectra below GeV energies due to Coulomb interactions so that electrons start to dominate the total particle spectra and (ii) match the shape of the positron fraction up to 10 GeV. We conclude that our steady-state CR modelling in MHD CR galaxy simulations is sufficiently realistic to capture the dominant transport effects shaping their spectra, arguing for a full MHD treatment to accurately model CR transport in the future. KW - astroparticle physics KW - MHD KW - methods: numerical KW - cosmic rays KW - local KW - interstellar matter Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab1324 SN - 0035-8711 SN - 1365-2966 VL - 505 IS - 3 SP - 3273 EP - 3294 PB - Oxford University Press CY - Oxford ER - TY - JOUR A1 - Scali, Stefano A1 - Anders, Janet A1 - Correa, Luis A. T1 - Local master equations bypass the secular approximation JF - Quantum : the open journal for quantum science N2 - Master equations are a vital tool to model heat flow through nanoscale thermodynamic systems. Most practical devices are made up of interacting subsystems and are often modelled using either local master equations (LMEs) or global master equations (GMEs). While the limiting cases in which either the LME or the GME breaks down are well understood, there exists a 'grey area' in which both equations capture steady-state heat currents reliably but predict very different transient heat flows. In such cases, which one should we trust? Here we show that, when it comes to dynamics, the local approach can be more reliable than the global one for weakly interacting open quantum systems. This is due to the fact that the secular approximation, which underpins the GME, can destroy key dynamical features. To illustrate this, we consider a minimal transport setup and show that its LME displays exceptional points (EPs). These singularities have been observed in a superconducting-circuit realisation of the model [1]. However, in stark contrast to experimental evidence, no EPs appear within the global approach. We then show that the EPs are a feature built into the Redfield equation, which is more accurate than the LME and the GME. Finally, we show that the local approach emerges as the weak-interaction limit of the Redfield equation, and that it entirely avoids the secular approximation. Y1 - 2021 U6 - https://doi.org/10.22331/q-2021-05-01-451 SN - 2521-327X VL - 5 PB - Verein zur Förderung des Open Access Publizierens in den Quantenwissenschaften CY - Wien ER - TY - JOUR A1 - Eerqing, Narima A1 - Subramanian, Sivaraman A1 - Rubio Jimenez, Jesus A1 - Lutz, Tobias A1 - Wu, Hsin-Yu A1 - Anders, Janet A1 - Soeller, Christian A1 - Vollmer, Frank T1 - Comparing transient oligonucleotide hybridization kinetics using DNA-PAINT and optoplasmonic single-molecule sensing on gold nanorods JF - ACS photonics / American Chemical Society N2 - We report a comparison of two photonic techniques for single-molecule sensing: fluorescence nanoscopy and optoplasmonic sensing. As the test system, oligonucleotides with and without fluorescent labels are transiently hybridized to complementary "docking" strands attached to gold nanorods. Comparing the measured single-molecule kinetics helps to examine the influence of the fluorescent labels as well as factors arising from different sensing geometries. Our results demonstrate that DNA dissociation is not significantly altered by the fluorescent labels and that DNA association is affected by geometric factors in the two techniques. These findings open the door to exploiting plasmonic sensing and fluorescence nanoscopy in a complementary fashion, which will aid in building more powerful sensors and uncovering the intricate effects that influence the behavior of single molecules. KW - single-molecule KW - plasmonics KW - whispering gallery modes KW - optoplasmonic KW - DNA-PAINT KW - fluorescence KW - localization microscopy Y1 - 2021 U6 - https://doi.org/10.1021/acsphotonics.1c01179 SN - 2330-4022 VL - 8 IS - 10 SP - 2882 EP - 2888 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Ritschel, Stefan A1 - Cherstvy, Andrey G. A1 - Metzler, Ralf T1 - Universality of delay-time averages for financial time series BT - analytical results, computer simulations, and analysis of historical stock-market prices JF - Journal of physics. Complexity N2 - We analyze historical data of stock-market prices for multiple financial indices using the concept of delay-time averaging for the financial time series (FTS). The region of validity of our recent theoretical predictions [Cherstvy A G et al 2017 New J. Phys. 19 063045] for the standard and delayed time-averaged mean-squared 'displacements' (TAMSDs) of the historical FTS is extended to all lag times. As the first novel element, we perform extensive computer simulations of the stochastic differential equation describing geometric Brownian motion (GBM) which demonstrate a quantitative agreement with the analytical long-term price-evolution predictions in terms of the delayed TAMSD (for all stock-market indices in crisis-free times). Secondly, we present a robust procedure of determination of the model parameters of GBM via fitting the features of the price-evolution dynamics in the FTS for stocks and cryptocurrencies. The employed concept of single-trajectory-based time averaging can serve as a predictive tool (proxy) for a mathematically based assessment and rationalization of probabilistic trends in the evolution of stock-market prices. KW - econophysics KW - geometric Brownian motion KW - time-series analysis Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/ac2220 SN - 2632-072X VL - 2 IS - 4 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Omel'chenko, Oleh A1 - Ocampo-Espindola, Jorge Luis A1 - Kiss, István Z. T1 - Asymmetry-induced isolated fully synchronized state in coupled oscillator populations JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - A symmetry-breaking mechanism is investigated that creates bistability between fully and partially synchronized states in oscillator networks. Two populations of oscillators with unimodal frequency distribution and different amplitudes, in the presence of weak global coupling, are shown to simplify to a modular network with asymmetrical coupling. With increasing the coupling strength, a synchronization transition is observed with an isolated fully synchronized state. The results are interpreted theoretically in the thermodynamic limit and confirmed in experiments with chemical oscillators. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.L022202 SN - 2470-0045 SN - 2470-0053 VL - 104 IS - 2 PB - American Physical Society CY - Melville, NY ER - TY - THES A1 - Omelchenko, Oleh T1 - Synchronität-und-Unordnung-Muster in Netzwerken gekoppelter Oszillatoren T1 - Patterns of synchrony and disorder in networks of coupled oscillators N2 - Synchronization of coupled oscillators manifests itself in many natural and man-made systems, including cyrcadian clocks, central pattern generators, laser arrays, power grids, chemical and electrochemical oscillators, only to name a few. The mathematical description of this phenomenon is often based on the paradigmatic Kuramoto model, which represents each oscillator by one scalar variable, its phase. When coupled, phase oscillators constitute a high-dimensional dynamical system, which exhibits complex behaviour, ranging from synchronized uniform oscillation to quasiperiodicity and chaos. The corresponding collective rhythms can be useful or harmful to the normal operation of various systems, therefore they have been the subject of much research. Initially, synchronization phenomena have been studied in systems with all-to-all (global) and nearest-neighbour (local) coupling, or on random networks. However, in recent decades there has been a lot of interest in more complicated coupling structures, which take into account the spatially distributed nature of real-world oscillator systems and the distance-dependent nature of the interaction between their components. Examples of such systems are abound in biology and neuroscience. They include spatially distributed cell populations, cilia carpets and neural networks relevant to working memory. In many cases, these systems support a rich variety of patterns of synchrony and disorder with remarkable properties that have not been observed in other continuous media. Such patterns are usually referred to as the coherence-incoherence patterns, but in symmetrically coupled oscillator systems they are also known by the name chimera states. The main goal of this work is to give an overview of different types of collective behaviour in large networks of spatially distributed phase oscillators and to develop mathematical methods for their analysis. We focus on the Kuramoto models for one-, two- and three-dimensional oscillator arrays with nonlocal coupling, where the coupling extends over a range wider than nearest neighbour coupling and depends on separation. We use the fact that, for a special (but still quite general) phase interaction function, the long-term coarse-grained dynamics of the above systems can be described by a certain integro-differential equation that follows from the mathematical approach called the Ott-Antonsen theory. We show that this equation adequately represents all relevant patterns of synchrony and disorder, including stationary, periodically breathing and moving coherence-incoherence patterns. Moreover, we show that this equation can be used to completely solve the existence and stability problem for each of these patterns and to reliably predict their main properties in many application relevant situations. N2 - Die Synchronisation von gekoppelten Oszillatoren tritt in vielen natürlichen und künstlichen Systemen auf, beispielsweise bei zirkadianen Uhren, zentralen Mustergeneratoren, Laserarrays, Stromnetzen oder chemischen und elektrochemischen Oszillatoren, um nur einige zu nennen. Die mathematische Beschreibung dieses Phänomens basiert häufig auf dem paradigmatischen Kuramoto-Modell, das jeden Oszillator durch eine skalare Variable, seine Phase, darstellt. Wenn Phasenoszillatoren gekoppelt sind, bilden sie ein hochdimensionales dynamisches System, das ein komplexes Verhalten aufweist, welches von synchronisierter kollektiver Oszillation bis zu Quasiperiodizität und Chaos reicht. Die entsprechenden kollektiven Rhythmen können für den normalen Betrieb verschiedener Systeme nützlich oder schädlich sein, weshalb sie Gegenstand zahlreicher Untersuchungen waren. Anfänglich wurden Synchronisationsphänomene in Systemen mit globaler Mittelfeldkopplung und lokaler Nächster-Nachbar Kopplung oder in komplexen Netzwerken untersucht. In den letzten Jahrzehnten gab es jedoch großes Interesse an anderen Kopplungsstrukturen, die die räumlich verteilte Natur realer Oszillatorsysteme und die entfernungsabhängige Natur der Wechselwirkung zwischen ihren Komponenten berücksichtigen. Sowohl in Bereichen der Biologie als auch der Neurowissenschaften gibt es eine Vielzahl von Beipsieln für solche Systeme. Dazu gehören räumlich verteilte Zellpopulationen, Zilien-Teppiche und neuronale Netze, die für das Arbeitsgedächtnis relevant sind. In vielen Fällen unterstützen diese Systeme eine Vielzahl von Synchronität-und-Unordnung-Mustern mit bemerkenswerten Eigenschaften, die in anderen kontinuierlichen Medien nicht beobachtet wurden. Solche Muster werden üblicherweise als Kohärenz-Inkohärenz-Muster bezeichnet, aber in symmetrisch gekoppelten Oszillatorsystemen sind diese auch unter dem Namen Chimära-Zustände bekannt. Das Hauptziel dieser Arbeit ist es, einen Überblick über verschiedene Arten von kollektivem Verhalten in großen Netzwerken räumlich verteilter Phasenoszillatoren zu geben und mathematische Methoden für deren Analyse zu entwickeln. Wir konzentrieren uns dabei auf die Kuramoto-Modelle für ein-, zwei- und dreidimensionale Oszillator-Arrays mit nichtlokaler Kopplung, wobei sich die Kopplung über einen Bereich erstreckt, welcher breiter ist als die Kopplung zum nächsten Nachbarn und von der Trennung abhängt. Wir verwenden die Tatsache, dass für eine spezielle (aber immer noch recht allgemeine) Phasenwechselwirkungsfunktion die langfristige grobkörnige Dynamik der obigen Systeme durch eine bestimmte Integro-Differentialgleichung beschrieben werden kann. Diese ergibt sich aus dem mathematischen Ansatz namens Ott-Antonsen-Theorie. Wir zeigen, dass diese Gleichung alle relevanten Synchronität-und-Unordnung-Muster angemessen darstellt, einschließlich stationärer, periodisch oszillierender und sich bewegender Kohärenz-Inkohärenz-Muster. Darüber hinaus zeigen wir, dass diese Gleichung verwendet werden kann, um das Existenz- und Stabilitätsproblem für jedes dieser Muster vollständig zu lösen und ihre Haupteigenschaften in vielen anwendungsrelevanten Situationen zuverlässig vorherzusagen. KW - phase oscillators KW - networks KW - synchronization KW - dynamical patterns KW - chimera states KW - Phasenoszillatoren KW - Netzwerke KW - Synchronisation KW - dynamische Muster KW - Chimäre-Zustände Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-535961 ER - TY - THES A1 - Zheng, Chunming T1 - Bursting and synchronization in noisy oscillatory systems T1 - Bursting und Synchronisation in verrauschten, oszillierenden Systemen N2 - Noise is ubiquitous in nature and usually results in rich dynamics in stochastic systems such as oscillatory systems, which exist in such various fields as physics, biology and complex networks. The correlation and synchronization of two or many oscillators are widely studied topics in recent years. In this thesis, we mainly investigate two problems, i.e., the stochastic bursting phenomenon in noisy excitable systems and synchronization in a three-dimensional Kuramoto model with noise. Stochastic bursting here refers to a sequence of coherent spike train, where each spike has random number of followers due to the combined effects of both time delay and noise. Synchronization, as a universal phenomenon in nonlinear dynamical systems, is well illustrated in the Kuramoto model, a prominent model in the description of collective motion. In the first part of this thesis, an idealized point process, valid if the characteristic timescales in the problem are well separated, is used to describe statistical properties such as the power spectral density and the interspike interval distribution. We show how the main parameters of the point process, the spontaneous excitation rate, and the probability to induce a spike during the delay action can be calculated from the solutions of a stationary and a forced Fokker-Planck equation. We extend it to the delay-coupled case and derive analytically the statistics of the spikes in each neuron, the pairwise correlations between any two neurons, and the spectrum of the total output from the network. In the second part, we investigate the three-dimensional noisy Kuramoto model, which can be used to describe the synchronization in a swarming model with helical trajectory. In the case without natural frequency, the Kuramoto model can be connected with the Vicsek model, which is widely studied in collective motion and swarming of active matter. We analyze the linear stability of the incoherent state and derive the critical coupling strength above which the incoherent state loses stability. In the limit of no natural frequency, an exact self-consistent equation of the mean field is derived and extended straightforward to any high-dimensional case. N2 - Rauschen ist in der Natur allgegenwärtig und führt zu einer reichen Dynamik in stochastischen Systemen von gekoppelten Oszillatoren, die in so unterschiedlichen Bereichen wie Physik, Biologie und in komplexen Netzwerken existieren. Korrelation und Synchronisation von zwei oder vielen Oszillatoren ist in den letzten Jahren ein aktives Forschungsfeld. In dieser Arbeit untersuchen wir hauptsächlich zwei Probleme, d.h. das stochastische Burst-Phänomen in verrauschten anregbaren Systemen und die Synchronisation in einem dreidimensionalen Kuramoto-Modell mit Rauschen. Stochastisches Bursting bezieht sich hier auf eine Folge von kohärenten Spike-Zügen, bei denen jeder Spike aufgrund der kombinierten Effekte von Zeitverzögerung und Rauschen eine zufällige Anzahl von Folge Spikes aufweist. Die Synchronisation als universelles Phänomen in nichtlinearen dynamischen Systemen kann anhand des Kuramoto-Modells, einem grundlegenden Modell bei der gekoppelter Oszillatoren und kollektiver Bewegung, gut demonstriert und analysiert werden. Im ersten Teil dieser Arbeit wird ein idealisierter Punktprozess betrachtet, der gültig ist, wenn die charakteristischen Zeitskalen im Problem gut voneinander getrennt sind,um statistische Eigenschaften wie die spektrale Leistungsdichte und die Intervallverteilung zwischen Neuronen Impulsen zu beschreiben. Wir zeigen, wie die Hauptparameter des Punktprozesses, die spontane Anregungsrate und die Wahrscheinlichkeit, während der Verzögerungsaktion einen Impuls zu induzieren, aus den Lösungen einer stationären und einer getriebenen Fokker-Planck-Gleichung berechnet werden können. Wir erweitern dieses Ergebnis auf den verzögerungsgekoppelten Fall und leiten analytisch die Statistiken der Impulse in jedem Neuron, die paarweisen Korrelationen zwischen zwei beliebigen Neuronen und das Spektrum der Zeitreihe alle Impulse aus dem Netzwerk ab. Im zweiten Teil untersuchen wir das dreidimensionale verrauschte Kuramoto-Modell, mit dem die Synchronisation eines Schwarmmodells mit schraubenförmigen Flugbahnen beschrieben werden kann. Im Fall ohne Eigenfrequenz jedes Teilchensist das System äquivalent zum Vicsek Modell, welches in der Beschreibung der kollektiven Bewegung von Schwärmen und aktiver Materie eine breite Anwendung findet. Wir analysieren die lineare Stabilität des inkohärenten Zustands und leiten die kritische Kopplungsstärke ab, oberhalb derer der inkohärente Zustand an Stabilität verliert. Im Fall ohne Eigenfrequenz wird eine exakte selbstkonsistente Gleichung für das mittlere Feld abgeleitet und direkt für höherdimensionale Bewegungen verallgemeinert. KW - Synchronization KW - Kuramoto model KW - Oscillation KW - stochastic bursting KW - Synchronisation KW - Kuramoto-Modell KW - Oszillatoren KW - Stochastisches Bursting Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-500199 ER - TY - THES A1 - Gengel, Erik T1 - Direct and inverse problems of network analysis T1 - Direkte und Inverse Probleme der Netzwerk-Analyse N2 - Selfsustained oscillations are some of the most commonly observed phenomena in biological systems. They emanate from non-linear systems in a heterogeneous environment and can be described by the theory of dynamical systems. Part of this theory considers reduced models of the oscillator dynamics by means of amplitudes and a phase variable. Such variables are highly attractive for theoretical and experimental studies. Theoretically these variables correspond to an integrable linearization of the generally non-linear system. Experimentally, there exist well established approaches to extract phases from oscillator signals. Notably, one can define phase models also for networks of oscillators. One highly active field examines effects of non-local coupling among oscillators, which is thought to play a key role in networks with strong coupling. The dissertation introduces and expands the knowledge about high-order phase coupling in networks of oscillators. Mathematical calculations consider the Stuart-Landau oscillator. A novel phase estimation scheme for direct observations of an oscillator dynamics is introduced based on numerics. A numerical study of high-order phase coupling applies a Fourier fit for the Stuart-Landau and for the van-der-Pol oscillator. The numerical approach is finally tested on observation-based phase estimates of the Morris-Lecar neuron. A popular approach for the construction of phases from signals is based on phase demodulation by means of the Hilbert transform. Generally, observations of oscillations contain a small and generic variation of their amplitude. The work presents a way to quantify how much the variations of signal amplitude spoil a phase demodulation procedure. For the ideal case of phase modulated signals, amplitude modulations vanish. However, the Hilbert transform produces artificial variations of the reconstructed amplitude even in this case. The work proposes a novel procedure called Iterative Hilbert Transform Embedding to obtain an optimal demodulation of signals. The text presents numerous examples and tests of application for the method, covering multicomponent signals, observables of highly stable limit cycle oscillations and noisy phase dynamics. The numerical results are supported by a spectral theory of convergence for weak phase modulations. N2 - Selbsterhaltende Ozillationen finden sich häufig in biologischen Systemen. Sie emergieren aus nichtlinearen Prozessen in einem heterogenen Umfeld und können durch die Theorie dynamischer Systeme beschrieben werden. Ein Teil dieser Theorie befasst ich mit reduzierten Beschreibungen von Oszillationen anhand von Amplituden-, und Phasenvariablen. Selbige sind für theoretische und experimentelle Anwendungen von großer Bedeutung. Im theoretischen Bereich korrespondieren Phasen und Amplituden zur integrablen Linearisierung eines nichtlinearen Systems. Im experimentellen Bereich existieren weit verbreitete Ansätze, Phasenvariablen aus oszillierenden Signalen zu gewinnen. Phasenmodelle können auch für Netzwerke von Oszillatoren definiert werden. Ein aktives Forschungsgebiet befasst sich in diesem Zusammenhang mit nicht-lokalen Kopplungen zwischen den Oszillatoren. Die Fachwelt geht davon aus, dass solche nicht-lokalen Kopplungen eine entscheidende Rolle spielen, wenn die Kopplungen zwischen den einzelnen Einheiten nicht schwach ist. Die Dissertation gibt eine Einführung in dieses Themengebiet und liefert einen Beitrag zum weiteren Verständnis derartiger Probleme. Mathematische Berechnungen gehen vom Stuart-Landau-Oszillator aus. Eine neue numerische Berechnungsmethode für die Phasendynamik von Oszillatoren wird vorgestellt; sie basiert auf vollständiger Kenntnis des dynamischen Systems. Eine numerische Studie der Phasenkopplungen höherer Ordnung verwendet einen Fourier-Fit. Als Beispiele dienen hier das Stuart-Landau-Modell und der van-der-Pol Oszillator. Die vollständige numerische Prozedur wird final getestet für die datengetriebene Bestimmung der Phasenkopplung dreier Morris-Lecar Neuronen. Eine der beliebtesten Methoden zur Phasenextraktion aus Messdaten basiert auf dem Prinzip der Phasendemodulation. Hierfür verwendet man die Hilbert-Transformation. Im Allgemeinen beinhalten Observablen nichtlinearer Oszillatoren kleine - als generisch anzusehende - Variationen ihrer Amplitude. Die dargelegte Arbeit präsentiert eine Möglichkeit, wie der Einfluss derartiger Variationen die Phasendemodulation behindert. Für den idealen Fall reiner Phasenmodulation in Signalen, gehen Amplitudenvariationen gegen null. Dennnoch reproduziert die Hilbert-Transformation auch in derartigen Fällen nicht die tatsächliche Phase des Signals. Die Dissertation stellt eine neue Methode vor, die dieses spezielle Problem behebt. Diese Methode trägt den Namen Iterative Hilbert-Transformations-Einbettung und erlaubt die optimale Demodulation zu finden. Im Text werden zahlreiche Beispiele vorgestellt, insbesondere Multikomponentensignale, Observablen starrer Grenzzyklen und verrauschte Phasendynamiken. Die numerischen Resultate werden unterstützt durch eine spektrale Theorie der Konvergenz für schwache Phasenmodulationen. KW - non-linear oscillators KW - Hilbert transform KW - networks KW - phase demodulation KW - phase-amplitude mixing KW - high-order phase coupling KW - Hilbert-Transformation KW - Phasenkopplungen höherer Ordnung KW - Netzwerke KW - nichtlineare Oszillationen KW - Phasendemodulation KW - Phasen-Amplituden Trennung Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-512367 ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Distribution of first-reaction times with target regions on boundaries of shell-like domains T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We study the probability density function (PDF) of the first-reaction times between a diffusive ligand and a membrane-bound, immobile imperfect target region in a restricted 'onion-shell' geometry bounded by two nested membranes of arbitrary shapes. For such a setting, encountered in diverse molecular signal transduction pathways or in the narrow escape problem with additional steric constraints, we derive an exact spectral form of the PDF, as well as present its approximate form calculated by help of the so-called self-consistent approximation. For a particular case when the nested domains are concentric spheres, we get a fully explicit form of the approximated PDF, assess the accuracy of this approximation, and discuss various facets of the obtained distributions. Our results can be straightforwardly applied to describe the PDF of the terminal reaction event in multi-stage signal transduction processes. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1255 KW - diffusion KW - first-passage time KW - first-reaction time KW - shell-like geometries KW - approximate methods Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-557542 SN - 1866-8372 SP - 1 EP - 23 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Distribution of first-reaction times with target regions on boundaries of shell-like domains JF - New Journal of Physics (NJP) N2 - We study the probability density function (PDF) of the first-reaction times between a diffusive ligand and a membrane-bound, immobile imperfect target region in a restricted 'onion-shell' geometry bounded by two nested membranes of arbitrary shapes. For such a setting, encountered in diverse molecular signal transduction pathways or in the narrow escape problem with additional steric constraints, we derive an exact spectral form of the PDF, as well as present its approximate form calculated by help of the so-called self-consistent approximation. For a particular case when the nested domains are concentric spheres, we get a fully explicit form of the approximated PDF, assess the accuracy of this approximation, and discuss various facets of the obtained distributions. Our results can be straightforwardly applied to describe the PDF of the terminal reaction event in multi-stage signal transduction processes. KW - diffusion KW - first-passage time KW - first-reaction time KW - shell-like geometries KW - approximate methods Y1 - 2021 U6 - https://doi.org/10.1088/1367-2630/ac4282 SN - 1367-2630 VL - 2021 SP - 1 EP - 23 PB - IOP Publishing CY - London ET - 23 ER - TY - JOUR A1 - Mutothya, Nicholas Mwilu A1 - Xu, Yong A1 - Li, Yongge A1 - Metzler, Ralf A1 - Mutua, Nicholas Muthama T1 - First passage dynamics of stochastic motion in heterogeneous media driven by correlated white Gaussian and coloured non-Gaussian noises JF - Journal of physics. Complexity N2 - We study the first passage dynamics for a diffusing particle experiencing a spatially varying diffusion coefficient while driven by correlated additive Gaussian white noise and multiplicative coloured non-Gaussian noise. We consider three functional forms for position dependence of the diffusion coefficient: power-law, exponential, and logarithmic. The coloured non-Gaussian noise is distributed according to Tsallis' q-distribution. Tracks of the non-Markovian systems are numerically simulated by using the fourth-order Runge-Kutta algorithm and the first passage times (FPTs) are recorded. The FPT density is determined along with the mean FPT (MFPT). Effects of the noise intensity and self-correlation of the multiplicative noise, the intensity of the additive noise, the cross-correlation strength, and the non-extensivity parameter on the MFPT are discussed. KW - first passage KW - diffusion KW - non-Gaussian KW - correlated noise Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/ac35b5 SN - 2632-072X VL - 2 PB - IOP Publishing CY - Bristol ER - TY - JOUR A1 - Decker, Regis A1 - Born, Artur A1 - Ruotsalainen, Kari A1 - Bauer, Karl A1 - Haverkamp, Robert A1 - Büchner, Robby A1 - Pietzsch, Annette A1 - Föhlisch, Alexander T1 - Spin-lattice angular momentum transfer of localized and valence electrons in the demagnetization transient state of gadolinium JF - Applied physics letters N2 - The electron-phonon scattering is one of the main microscopic mechanisms responsible for the spin-flip in the transient state of ultrafast demagnetization. Here, we present an experimental determination of the temperature-dependent electron-phonon scattering rate in Gd. Using a static x-ray emission spectroscopy method, where the reduction of the decay peak intensities when increasing the temperature is quantified, we measure independently the electron-phonon scattering rate for the 5d and the 4f electrons. We deduce the temperature dependence of scattering for the 5d electrons, while no effect on the phonon population is observed for the 4f electrons. Our results suggest that the ultrafast magnetization dynamics in Gd is triggered by the spin-flip in the 5d electrons. We also evidence the existence of a temperature threshold, above which spin-flip scattering of the 5d electrons takes place. We deduce that during the transient state of ultrafast demagnetization, the exchange energy between 5d electrons has to be overcome before the microscopic electron-phonon scattering process can occur. Y1 - 2021 U6 - https://doi.org/10.1063/5.0063404 SN - 0003-6951 SN - 1077-3118 VL - 119 IS - 15 PB - AIP Publishing CY - Melville ER - TY - JOUR A1 - Born, Artur A1 - Decker, Regis A1 - Haverkamp, Robert A1 - Ruotsalainen, Kari A1 - Bauer, Karl A1 - Pietzsch, Annette A1 - Föhlisch, Alexander A1 - Büchner, Robby T1 - Thresholding of the Elliott-Yafet spin-flip scattering in multi-sublattice magnets by the respective exchange energies JF - Scientific reports N2 - How different microscopic mechanisms of ultrafast spin dynamics coexist and interplay is not only relevant for the development of spintronics but also for the thorough description of physical systems out-of-equilibrium. In pure crystalline ferromagnets, one of the main microscopic mechanism of spin relaxation is the electron-phonon (el-ph) driven spin-flip, or Elliott-Yafet, scattering. Unexpectedly, recent experiments with ferro- and ferrimagnetic alloys have shown different dynamics for the different sublattices. These distinct sublattice dynamics are contradictory to the Elliott-Yafet scenario. In order to rationalize this discrepancy, it has been proposed that the intra- and intersublattice exchange interaction energies must be considered in the microscopic demagnetization mechanism, too. Here, using a temperature-dependent x-ray emission spectroscopy (XES) method, we address experimentally the element specific el-ph angular momentum transfer rates, responsible for the spin-flips in the respective (sub)lattices of Fe20Ni80, Fe50Ni50 and pure nickel single crystals. We establish how the deduced rate evolution with the temperature is linked to the exchange coupling constants reported for different alloy stoichiometries and how sublattice exchange energies threshold the related el-ph spin-flip channels. Thus, these results evidence that the Elliott-Yafet spin-flip scattering, thresholded by sublattice exchange energies, is the relevant microscopic process to describe sublattice dynamics in alloys and elemental magnetic systems. Y1 - 2021 U6 - https://doi.org/10.1038/s41598-021-81177-9 SN - 2045-2322 VL - 11 IS - 1 PB - Springer Nature CY - Berlin ER - TY - JOUR A1 - Büchner, Robby A1 - Fondell, Mattis A1 - Mascarenhas, Eric Johnn A1 - Pietzsch, Annette A1 - Vaz da Cruz, Vinícius A1 - Föhlisch, Alexander T1 - How hydrogen bonding amplifies isomeric differences in pyridones toward strong changes in acidity and tautomerism JF - The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry N2 - Steric hindrance of hydration and hydrogen bond enhancement by localized charges have been identified as key factors for the massive chemical differences between the hydroxypyridine/pyridone isomers in aqueous solution. While all isomers occur mainly in the hydroxypyridine form in the gas phase, they differ by more than 3 orders of magnitude both in their acidity and tautomeric equilibrium constants upon hydration. By monitoring the electronic and solvation structures as a function of the protonation state and the O- substitution position on the pyridine ring, the amplification of the isomeric differences in aqueous solution has been investigated. Near-edge X-ray absorption fine structure (NEXAFS) measurements at the N K-edge served as the probe of the chemical state. The combination of molecular dynamics simulations, complete active space self-consistent field (CASSCF), and time-dependent density functional theory (TD-DFT) spectral calculations contributes to unraveling the principles of tautomerism and acidity in multiple biochemical systems based on tautomerism. Y1 - 2021 U6 - https://doi.org/10.1021/acs.jpcb.0c10873 SN - 1520-6106 SN - 1520-5207 VL - 125 IS - 9 SP - 2372 EP - 2379 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Büchner, Robby A1 - Fondell, Mattis A1 - Haverkamp, Robert A1 - Pietzsch, Annette A1 - Vaz da Cruz, Vinícius A1 - Föhlisch, Alexander T1 - The porphyrin center as a regulator for metal-ligand covalency and pi hybridization in the entire molecule JF - Physical chemistry, chemical physics : PCCP ; a journal of European Chemical Societies N2 - The central moiety of porphyrins is shown to control the charge state of the inner complex and links it by covalent interaction to the peripheral substituents. This link, which enables the versatile functions of porphyrins, is not picked up in the established, reduced four orbital picture [Gouterman, J. Mol. Spectrosc., 1961, 6, 138]. X-ray absorption spectroscopy at the N K-edge with density functional theory approaches gives access to the full electronic structure, in particular the pi* manifold beyond the Gouterman orbitals. Systematic variation of the central moiety highlights two linked, governing trends: The ionicity of the porphyrin center increases from the aminic N-H to N-Cu to N-Zn to N-Mg to the iminic N:. At the same time covalency with peripheral substituents increases and compensates the buildup of high charge density at the coordinated nitrogen sites. Y1 - 2021 U6 - https://doi.org/10.1039/d1cp03944j SN - 1463-9076 SN - 1463-9084 VL - 23 IS - 43 SP - 24765 EP - 24772 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Nadammal, Naresh A1 - Mishurova, Tatiana A1 - Fritsch, Tobias A1 - Serrano-Munoz, Itziar A1 - Kromm, Arne A1 - Haberland, Christoph A1 - Portella, Pedro Dolabella A1 - Bruno, Giovanni T1 - Critical role of scan strategies on the development of microstructure, texture, and residual stresses during laser powder bed fusion additive manufacturing JF - Additive manufacturing N2 - Laser based powder bed fusion additive manufacturing offers the flexibility to incorporate standard and user-defined scan strategies in a layer or in between the layers for the customized fabrication of metallic components. In the present study, four different scan strategies and their impact on the development of microstructure, texture, and residual stresses in laser powder bed fusion additive manufacturing of a nickel-based superalloy Inconel 718 was investigated. Light microscopy, scanning electron microscopy combined with electron back-scatter diffraction, and neutron diffraction were used as the characterization tools. Strong textures with epitaxially grown columnar grains were observed along the build direction for the two individual scan strategies. Patterns depicting the respective scan strategies were visible in the build plane, which dictated the microstructure development in the other planes. An alternating strategy combining the individual strategies in the successive layers and a 67 degrees rotational strategy weakened the texture by forming finer micro-structural features. Von Mises equivalent stress plots revealed lower stress values and gradients, which translates as lower distortions for the alternating and rotational strategies. Overall results confirmed the scope for manipulating the microstructure, texture, and residual stresses during laser powder bed fusion additive manufacturing by effectively controlling the scan strategies. KW - Additive manufacturing KW - Laser powder bed fusion KW - Nickel-based KW - superalloys KW - Scan strategies KW - Residual stresses KW - Microstructure and KW - texture Y1 - 2021 U6 - https://doi.org/10.1016/j.addma.2020.101792 SN - 2214-8604 VL - 38 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - A molecular relay race: sequential first-passage events to the terminal reaction centre in a cascade of diffusion controlled processes JF - New Journal of Physics (NJP) N2 - We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary. KW - diffusion KW - reaction cascade KW - first passage time Y1 - 2021 U6 - https://doi.org/10.1088/1367-2630/ac1e42 SN - 1367-2630 VL - 23 PB - IOP - Institute of Physics Publishing CY - Bristol ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - A molecular relay race: sequential first-passage events to the terminal reaction centre in a cascade of diffusion controlled processes T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1159 KW - diffusion KW - reaction cascade KW - first passage time Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-521942 SN - 1866-8372 ER - TY - JOUR A1 - Werhahn, Maria A1 - Pfrommer, Christoph A1 - Girichidis, Philipp T1 - Cosmic rays and non-thermal emission in simulated galaxies - III. Probing cosmic-ray calorimetry with radio spectra and the FIR-radio correlation JF - Monthly notices of the Royal Astronomical Society N2 - An extinction-free estimator of the star formation rate (SFR) of galaxies is critical for understanding the high-redshift universe. To this end, the nearly linear, tight correlation of far-infrared (FIR), and radio luminosity of star-forming galaxies is widely used. While the FIR is linked to massive star formation, which also generates shock-accelerated cosmic-ray (CR) electrons and radio synchrotron emission, a detailed understanding of the underlying physics is still lacking. Hence, we perform three-dimensional magnetohydrodynamical (MHD) simulations of isolated galaxies over a broad range of halo masses and SFRs using the moving-mesh code AREPO, and evolve the CR proton energy density self-consistently. In post-processing, we calculate the steady-state spectra of primary, shock-accelerated and secondary CR electrons, which result from hadronic CR proton interactions with the interstellar medium. The resulting total radio luminosities correlate with the FIR luminosities as observed and are dominated by primary CR electrons if we account for anisotropic CR diffusion. The increasing contribution of secondary emission up to 30 per cent in starbursts is compensated by the larger bremsstrahlung and Coulomb losses. CR electrons are in the calorimetric limit and lose most of their energy through inverse Compton interactions with star light and cosmic microwave background (CMB) photons while less energy is converted into synchrotron emission. This implies steep steady-state synchrotron spectra in starbursts. Interestingly, we find that thermal free-free emission flattens the total radio spectra at high radio frequencies and reconciles calorimetric theory with observations while free-free absorption explains the observed low-frequency flattening towards the central regions of starbursts. KW - MHD KW - methods: numerical KW - cosmic rays KW - galaxies: magnetic fields KW - galaxies: starburst KW - radio continuum: galaxies Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab2535 SN - 0035-8711 SN - 1365-2966 VL - 508 IS - 3 SP - 4072 EP - 4095 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Caesar, Levke A1 - Rahmstorf, Stefan A1 - Feulner, Georg T1 - Reply to comment on 'On the relationship between Atlantic meridional overturning circulation slowdown and global surface warming' JF - Environmental research letters N2 - In their comment on our paper (Caesar et al 2020 Environ. Res. Lett. 15 024003), Chen and Tung (hereafter C&T) argue that our analysis, showing that over the last decades Atlantic meridional overturning circulation (AMOC) strength and global mean surface temperature (GMST) were positively correlated, is incorrect. Their claim is mainly based on two arguments, neither of which is justified: first, C&T claim that our analysis is based on 'established evidence' that was only true for preindustrial conditions-this is not the case. Using data from the modern period (1947-2012), we show that the established understanding (i.e. deep-water formation in the North Atlantic cools the deep ocean and warms the surface) is correct, but our analysis is not based on this fact. Secondly, C&T claim that our results are based on a statistical analysis of only one cycle of data which was furthermore incorrectly detrended. This, too, is not true. Our conclusion that a weaker AMOC delays the current surface warming rather than enhances it, is based on several independent lines of evidence. The data we show to support this covers more than one cycle and the detrending (which was performed to avoid spurious correlations due to a common trend) does not affect our conclusion: the correlation between AMOC strength and GMST is positive. We do not claim that this is strong evidence that the two time series are in phase, but rather that this means that the two time series are not anti-correlated. KW - Atlantic meridional overturning circulation KW - global surface warming KW - ocean heat uptake Y1 - 2021 U6 - https://doi.org/10.1088/1748-9326/abc776 SN - 1748-9326 VL - 16 IS - 3 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Schindler, Daniel A1 - Moldenhawer, Ted A1 - Stange, Maike A1 - Lepro, Valentino A1 - Beta, Carsten A1 - Holschneider, Matthias A1 - Huisinga, Wilhelm T1 - Analysis of protrusion dynamics in amoeboid cell motility by means of regularized contour flows JF - PLoS Computational Biology : a new community journal N2 - Amoeboid cell motility is essential for a wide range of biological processes including wound healing, embryonic morphogenesis, and cancer metastasis. It relies on complex dynamical patterns of cell shape changes that pose long-standing challenges to mathematical modeling and raise a need for automated and reproducible approaches to extract quantitative morphological features from image sequences. Here, we introduce a theoretical framework and a computational method for obtaining smooth representations of the spatiotemporal contour dynamics from stacks of segmented microscopy images. Based on a Gaussian process regression we propose a one-parameter family of regularized contour flows that allows us to continuously track reference points (virtual markers) between successive cell contours. We use this approach to define a coordinate system on the moving cell boundary and to represent different local geometric quantities in this frame of reference. In particular, we introduce the local marker dispersion as a measure to identify localized membrane expansions and provide a fully automated way to extract the properties of such expansions, including their area and growth time. The methods are available as an open-source software package called AmoePy, a Python-based toolbox for analyzing amoeboid cell motility (based on time-lapse microscopy data), including a graphical user interface and detailed documentation. Due to the mathematical rigor of our framework, we envision it to be of use for the development of novel cell motility models. We mainly use experimental data of the social amoeba Dictyostelium discoideum to illustrate and validate our approach.
Author summary Amoeboid motion is a crawling-like cell migration that plays an important key role in multiple biological processes such as wound healing and cancer metastasis. This type of cell motility results from expanding and simultaneously contracting parts of the cell membrane. From fluorescence images, we obtain a sequence of points, representing the cell membrane, for each time step. By using regression analysis on these sequences, we derive smooth representations, so-called contours, of the membrane. Since the number of measurements is discrete and often limited, the question is raised of how to link consecutive contours with each other. In this work, we present a novel mathematical framework in which these links are described by regularized flows allowing a certain degree of concentration or stretching of neighboring reference points on the same contour. This stretching rate, the so-called local dispersion, is used to identify expansions and contractions of the cell membrane providing a fully automated way of extracting properties of these cell shape changes. We applied our methods to time-lapse microscopy data of the social amoeba Dictyostelium discoideum. Y1 - 2021 U6 - https://doi.org/10.1371/journal.pcbi.1009268 SN - 1553-734X SN - 1553-7358 VL - 17 IS - 8 PB - PLoS CY - San Fransisco ER - TY - JOUR A1 - Franović, Igor A1 - Omel'chenko, Oleh A1 - Wolfrum, Matthias T1 - Bumps, chimera states, and Turing patterns in systems of coupled active rotators JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - Self-organized coherence-incoherence patterns, called chimera states, have first been reported in systems of Kuramoto oscillators. For coupled excitable units, similar patterns where coherent units are at rest are called bump states. Here, we study bumps in an array of active rotators coupled by nonlocal attraction and global repulsion. We demonstrate how they can emerge in a supercritical scenario from completely coherent Turing patterns: a single incoherent unit appears in a homoclinic bifurcation, undergoing subsequent transitions to quasiperiodic and chaotic behavior, which eventually transforms into extensive chaos with many incoherent units. We present different types of transitions and explain the formation of coherence-incoherence patterns according to the classical paradigm of short-range activation and long-range inhibition. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.L052201 SN - 2470-0045 SN - 2470-0053 VL - 104 IS - 5 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Worseck, Gábor A1 - Khrykin, Ilya Sergeevich A1 - Hennawi, Joseph F. A1 - Prochaska, J. Xavier A1 - Farina, Emanuele Paolo T1 - Dating individual quasars with the He II proximity effect JF - Monthly notices of the Royal Astronomical Society N2 - Constraints on the time-scales of quasar activity are key to understanding the formation and growth of supermassive black holes (SMBHs), quasar triggering mechanisms, and possible feedback effects on their host galaxies. However, observational estimates of this so-called quasar lifetime are highly uncertain (t(Q) similar to 10(4)-10(9) yr), because most methods are indirect and involve many model-dependent assumptions. Direct evidence of earlier activity is gained from the higher ionization state of the intergalactic medium (IGM) in the quasar environs, observable as enhanced Ly alpha transmission in the so-called proximity zone. Due to the similar to 30 Myr equilibration time-scale of He II in the z similar to 3 IGM, the size of the He II proximity zone depends on the time the quasar had been active before our observation t(on) <= t(Q), enabling up to +/- 0.2 dex precise measurements of individual quasar on-times that are comparable to the e-folding time-scale t(S) <= 44 Myr of SMBH growth. Here we present the first statistical sample of 13 quasars whose accurate and precise systemic redshifts allow for measurements of sufficiently precise He II quasar proximity zone sizes between similar or equal to 2 and similar or equal to 15 proper Mpc from science-grade Hubble Space Telescope (HST) spectra. Comparing these sizes to predictions from cosmological hydrodynamical simulations post-processed with 1D radiative transfer, we infer a broad range of quasar on-times from t(on) less than or similar to 1Myr to t(on) > 30 Myr that does not depend on quasar luminosity, black hole mass, or Eddington ratio. These results point to episodic quasar activity over a long duty cycle, but do not rule out substantial SMBH growth during phases of radiative inefficiency or obscuration. KW - intergalactic medium KW - quasars: absorption lines KW - quasars: general KW - quasars: supermassive black holes KW - dark ages, reionization, first stars Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab1685 SN - 0035-8711 SN - 1365-2966 VL - 505 IS - 4 SP - 5084 EP - 5103 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Cherstvy, Andrey G. A1 - Vinod, Deepak A1 - Aghion, Erez A1 - Sokolov, Igor M. A1 - Metzler, Ralf T1 - Scaled geometric Brownian motion features sub- or superexponential ensemble-averaged, but linear time-averaged mean-squared displacements JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - Various mathematical Black-Scholes-Merton-like models of option pricing employ the paradigmatic stochastic process of geometric Brownian motion (GBM). The innate property of such models and of real stock-market prices is the roughly exponential growth of prices with time [on average, in crisis-free times]. We here explore the ensemble- and time averages of a multiplicative-noise stochastic process with power-law-like time-dependent volatility, sigma(t) similar to t(alpha), named scaled GBM (SGBM). For SGBM, the mean-squared displacement (MSD) computed for an ensemble of statistically equivalent trajectories can grow faster than exponentially in time, while the time-averaged MSD (TAMSD)-based on a sliding-window averaging along a single trajectory-is always linear at short lag times Delta. The proportionality factor between these the two averages of the time series is Delta/T at short lag times, where T is the trajectory length, similarly to GBM. This discrepancy of the scaling relations and pronounced nonequivalence of the MSD and TAMSD at Delta/T << 1 is a manifestation of weak ergodicity breaking for standard GBM and for SGBM with s (t)-modulation, the main focus of our analysis. The analytical predictions for the MSD and mean TAMSD for SGBM are in quantitative agreement with the results of stochastic computer simulations. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.103.062127 SN - 2470-0045 SN - 2470-0053 VL - 103 IS - 6 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Ocampo-Espindola, Jorge Luis A1 - Omel'chenko, Oleh A1 - Kiss, Istvan Z. T1 - Non-monotonic transients to synchrony in Kuramoto networks and electrochemical oscillators JF - Journal of physics. Complexity N2 - We performed numerical simulations with the Kuramoto model and experiments with oscillatory nickel electrodissolution to explore the dynamical features of the transients from random initial conditions to a fully synchronized (one-cluster) state. The numerical simulations revealed that certain networks (e.g., globally coupled or dense Erdos-Renyi random networks) showed relatively simple behavior with monotonic increase of the Kuramoto order parameter from the random initial condition to the fully synchronized state and that the transient times exhibited a unimodal distribution. However, some modular networks with bridge elements were identified which exhibited non-monotonic variation of the order parameter with local maximum and/or minimum. In these networks, the histogram of the transients times became bimodal and the mean transient time scaled well with inverse of the magnitude of the second largest eigenvalue of the network Laplacian matrix. The non-monotonic transients increase the relative standard deviations from about 0.3 to 0.5, i.e., the transient times became more diverse. The non-monotonic transients are related to generation of phase patterns where the modules are synchronized but approximately anti-phase to each other. The predictions of the numerical simulations were demonstrated in a population of coupled oscillatory electrochemical reactions in global, modular, and irregular tree networks. The findings clarify the role of network structure in generation of complex transients that can, for example, play a role in intermittent desynchronization of the circadian clock due to external cues or in deep brain stimulations where long transients are required after a desynchronization stimulus. KW - synchronization KW - networks KW - Kuramoto model KW - electrochemistry KW - chemical KW - oscillations Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/abe109 SN - 2632-072X VL - 2 IS - 1 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Bataille-Gonzalez, Martin A1 - Clerc, Marcel G. A1 - Omel'chenko, Oleh T1 - Moving spiral wave chimeras JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - We consider a two-dimensional array of heterogeneous nonlocally coupled phase oscillators on a flat torus and study the bound states of two counter-rotating spiral chimeras, shortly two-core spiral chimeras, observed in this system. In contrast to other known spiral chimeras with motionless incoherent cores, the two-core spiral chimeras typically show a drift motion. Due to this drift, their incoherent cores become spatially modulated and develop specific fingerprint patterns of varying synchrony levels. In the continuum limit of infinitely many oscillators, the two-core spiral chimeras can be studied using the Ott-Antonsen equation. Numerical analysis of this equation allows us to reveal the stability region of different spiral chimeras, which we group into three main classes-symmetric, asymmetric, and meandering spiral chimeras. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.104.L022203 SN - 2470-0045 SN - 2470-0053 VL - 104 IS - 2 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Chechkin, Aleksei V. A1 - Sokolov, Igor M. T1 - Relation between generalized diffusion equations and subordination schemes JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - Generalized (non-Markovian) diffusion equations with different memory kernels and subordination schemes based on random time change in the Brownian diffusion process are popular mathematical tools for description of a variety of non-Fickian diffusion processes in physics, biology, and earth sciences. Some of such processes (notably, the fluid limits of continuous time random walks) allow for either kind of description, but other ones do not. In the present work we discuss the conditions under which a generalized diffusion equation does correspond to a subordination scheme, and the conditions under which a subordination scheme does possess the corresponding generalized diffusion equation. Moreover, we discuss examples of random processes for which only one, or both kinds of description are applicable. Y1 - 2021 U6 - https://doi.org/10.1103/PhysRevE.103.032133 SN - 2470-0045 SN - 2470-0053 VL - 103 IS - 3 PB - American Physical Society CY - College Park ER - TY - THES A1 - Feigel, Immanuel T1 - Entwicklung und Validierung eines Instruments zur Erfassung von experimentierbezogenen Erfahrungen angehender Physiklehrkräfte N2 - Aufgrund der Bedeutung von Experimenten im physikalischen Erkenntnisprozess, sind diese ein wesentlicher Bestandteil des Physikunterrichts. Um den Einsatz von Experimenten im Physikunterricht zu fördern, sind kompetenzorientiertes Experimentieren und die Reflexion des Einsatzes von Experimenten wichtige Ziele in Lehrkräftebildungsprogrammen. Ablaufmodelle für kompetenzorientiertes Experimentieren unterscheiden typischerweise Phasen der Fragen- und Hypothesenentwicklung, der Planung, der Erforschung und der Schlussfolgerungen. Es ist allerdings unklar, auf welche Weise angehende Physiklehrkräfte Aspekte des kompetenzorientierten Experimentierens in ihrem Unterricht in schulpraktischen Ausbildungsphasen einsetzen, auf welche Weise sie solche Unterrichtsversuche mit Experimentierbezug reflektieren und wie strukturiert (im Sinne der Ablaufmodelle) sie dabei vorgehen. In der vorliegenden Studie wurde deshalb untersucht, auf welche Weise Praxissemesterstudierende Experimentierprozesse in ihren Unterrichtsversuchen reflektieren. Hierfür wurde betrachtet, zu welchen Anteilen die Experimentierphasen in den Reflexionen adressiert werden. Um weiterhin herauszufinden, mit welcher Qualität die Experimentplanung reflektiert wird und inwiefern sich Vorstrukturierung für die Planungsphase zeigt, wurde diese differenzierter betrachtet. Auf Basis empirischer Vorarbeiten wurde vermutet, dass Fragenentwicklung, Hypothesenbildung und Experimentplanung seltener thematisiert werden als die anderen Teilkompetenzen und dass die Planungsphase hauptsächlich stark vorstrukturierte Elemente enthält, statt den Lernenden Freiräume für selbstständige Planungen zu lassen. Zur Untersuchung der Fragestellung wurden Kodiermanuale zur Erfassung experimentierbezogener Kompetenzen in schriftlichen Reflexionen entwickelt und validiert. Analysiert wurden 40 Reflexionstexte von 14 Studierenden des Physik-Lehramts im Praxissemester an der Universität Potsdam. Als Untersuchungsmethode wurde die qualitative Inhaltsanalyse genutzt. Die Texte wurden bezüglich der Umsetzung eines Reflexionsmodells und auf das Vorkommen der Teilkompetenzen des Experimentierzyklus untersucht. Die Ergebnisse bestätigten das geringe Vorkommen der Fragenentwicklung und Hypothesenbildung sowie die tendenziell geschlossenen Planungsinhalte. Zudem konnte festgestellt werden, dass die Planungsphase eher oberflächlich reflektiert und vor allem Arbeitsaufträge wiedergegeben wurden. Allgemein zeigten sich hauptsächlich beschreibende Tendenzen in den Reflexionen und eher wenige Alternativen und Konsequenzen. Aus den Ergebnissen werden Implikationen für die Lehrkräftebildung im Fach Physik abgeleitet. Um die Reflexionskompetenz der angehenden Lehrkräfte zu fördern, sind Hilfestellungen während des Reflexionsprozesses und eine inhaltliche Rückmeldung notwendig. Des Weiteren sollten die angehenden Lehrkräfte für eine ausgewogenere Förderung der Teilkompetenzen in ihrem Unterricht sensibilisiert werden. N2 - Due to the importance of experiments in the physics-based inquiry process, they are an essential part of physics teaching. In order to promote the use of experiments in physics lessons, competence-oriented experimentation and reflection on the use of experiments are important goals in teacher training programs. Process models for competence-oriented experimentation typically distinguish between phases of question and hypothesis development, planning, exploration and conclusions. However, it is unclear in what way prospective physics teachers use aspects of competence-oriented experimentation in their lessons in school-based training phases and in what way they reflect teaching experiments with reference to experimentation and how structured (in terms of reflection models) they proceed in doing so. The present study therefore investigated the ways in which students in their final teaching internship reflect on experimentation processes in their teaching. For this purpose, we looked at the proportions in which the experimentation phases are addressed in the reflections. In order to find out the quality with which the planning of the experiment is reflected and to what extent the planning phase is pre-structured, this was considered in a more differentiated way. On the basis of empirical preliminary work, it was assumed that question development, hypothesis formation and experiment planning are addressed less frequently than the other sub-competencies and that the planning phase mainly contains pre-structured tasks instead of leaving the learners space for exploration and planning. To investigate the question, coding manuals for recording experiment-related competencies in written reflections were developed and validated. 40 reflection texts from 14 physics students in their practical semester at the University of Potsdam were analysed. Qualitative content analysis was used to identify categories in which the teachers reflected. The texts were examined with regard to the implementation of a reflection model and the occurrence of the competencies as defined in the experimentation cycle. The results confirmed the low occurrence of question development and hypothesis formation as well as the tendency towards pre-structed tasks. In addition, it was found that the planning phase was reflected rather superficially and that work assignments were mainly reproductive. More generally, descriptive tendencies were found in the reflections and rather few alternatives and consequences. Implications for teacher training in physics are derived from the results. In order to promote the reflection competence of the prospective teachers, assistance during the reflection process and feedback on the contents are necessary. Furthermore, the prospective teachers should be sensitised to include all competencies as outlined in the experimentation cycle. KW - Experimentierkompetenz KW - Reflexion KW - Physik KW - Lehrkräftebildung KW - quantitative Inhaltsanalyse KW - Experimentierzyklus KW - experimental competencies KW - experimental model KW - reflection KW - physics KW - teacher education KW - content analysis Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-537720 ER - TY - JOUR A1 - Dörries, Timo A1 - Loos, Sarah Anna Marie A1 - Klapp, Sabine H. L. T1 - Correlation functions of non-Markovian systems out of equilibrium BT - analytical expressions beyond single-exponential memory JF - Journal of statistical mechanics: theory and experiment : JSTAT N2 - This paper is concerned with correlation functions of stochastic systems with memory, a prominent example being a molecule or colloid moving through a complex (e.g. viscoelastic) fluid environment. Analytical investigations of such systems based on non-Markovian stochastic equations are notoriously difficult. A common approximation is that of a single-exponential memory, corresponding to the introduction of one auxiliary variable coupled to the Markovian dynamics of the main variable. As a generalization, we here investigate a class of 'toy' models with altogether three degrees of freedom, giving rise to more complex forms of memory. Specifically, we consider, mainly on an analytical basis, the under- and overdamped motion of a colloidal particle coupled linearly to two auxiliary variables, where the coupling between variables can be either reciprocal or non-reciprocal. Projecting out the auxiliary variables, we obtain non-Markovian Langevin equations with friction kernels and colored noise, whose structure is similar to that of a generalized Langevin equation. For the present systems, however, the non-Markovian equations may violate the fluctuation-dissipation relation as well as detailed balance, indicating that the systems are out of equilibrium. We then study systematically the connection between the coupling topology of the underlying Markovian system and various autocorrelation functions. We demonstrate that already two auxiliary variables can generate surprisingly complex (e.g. non-monotonic or oscillatory) memory and correlation functions. Finally, we show that a minimal overdamped model with two auxiliary variables and suitable non-reciprocal coupling yields correlation functions resembling those describing hydrodynamic backflow in an optical trap. KW - correlation functions KW - memory effects KW - friction Y1 - 2021 U6 - https://doi.org/10.1088/1742-5468/abdead SN - 1742-5468 IS - 3 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Wendt, Martin A1 - Bouche, Nicolas F. A1 - Zabl, Johannes A1 - Schroetter, Ilane A1 - Muzahid, Sowgat T1 - MusE GAs FLOw and Wind V. The dust/metallicity-anisotropy of the circum-galactic medium JF - Monthly notices of the Royal Astronomical Society N2 - We investigate whether the dust content of the circum-galactic medium (CGM) depends on the location of the quasar sightline with respect to the galaxy major-axis using 13 galaxy-Mg II absorber pairs (9-81 kpc distance) from the MusE GAs FLOw and Wind (MEGAFLOW) survey at 0.4 < z < 1.4. The dust content of the CGM is obtained from [Zn/Fe] using ultraviolet and visual echelle spectrograph data. When a direct measurement of [Zn/Fe] is unavailable, we estimate the dust depletion from a method that consists in solving for the depletion from multiple singly ionized ions (e.g. Mn II, Cr II, and Zn II) since each ion depletes on dust grains at different rates. We find a positive correlation between the azimuthal angle and [Zn/Fe] with a Pearson's gamma = 0.70 +/- 0.14. The sightlines along the major axis show [Zn/Fe] < 0.5, whereas the [Zn/Fe] is > 0.8 along the minor axis. These results suggest that the CGM along the minor axis is on average more metal enriched (by approximate to 1 dex) than the gas located along the major axis of galaxies provided that dust depletion is a proxy for metallicity. This anisotropic distribution is consistent with recent results on outflow and accretion in hydro-dynamical simulations. KW - galaxies: evolution KW - galaxies: formation KW - intergalactic medium KW - quasars: KW - absorption lines Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab049 SN - 0035-8711 SN - 1365-2966 VL - 502 IS - 3 SP - 3733 EP - 3745 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Whittingham, Joseph A1 - Sparre, Martin A1 - Pfrommer, Christoph A1 - Pakmor, Rüdiger T1 - The impact of magnetic fields on cosmological galaxy mergers BT - I. Reshaping gas and stellar discs JF - Monthly notices of the Royal Astronomical Society N2 - Mergers play an important role in galaxy evolution. In particular, major mergers are able to have a transformative effect on galaxy morphology. In this paper, we investigate the role of magnetic fields in gas-rich major mergers. To this end, we run a series of high-resolution magnetohydrodynamic (MHD) zoom-in simulations with the moving-mesh code arepo and compare the outcome with hydrodynamic simulations run from the same initial conditions. This is the first time that the effect of magnetic fields in major mergers has been investigated in a cosmologically consistent manner. In contrast to previous non-cosmological simulations, we find that the inclusion of magnetic fields has a substantial impact on the production of the merger remnant. Whilst magnetic fields do not strongly affect global properties, such as the star formation history, they are able to significantly influence structural properties. Indeed, MHD simulations consistently form remnants with extended discs and well-developed spiral structure, whilst hydrodynamic simulations form more compact remnants that display distinctive ring morphology. We support this work with a resolution study and show that whilst global properties are broadly converged across resolution and physics models, morphological differences only develop given sufficient resolution. We argue that this is due to the more efficient excitement of a small-scale dynamo in higher resolution simulations, resulting in a more strongly amplified field that is better able to influence gas dynamics. KW - MHD KW - methods: numerical KW - galaxies: interactions KW - galaxies: magnetic KW - fields Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab1425 SN - 0035-8711 SN - 1365-2966 VL - 506 IS - 1 SP - 229 EP - 255 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Ulbricht, Alexander A1 - Mohr, Gunther A1 - Altenburg, Simon J. A1 - Oster, Simon A1 - Maierhofer, Christiane A1 - Bruno, Giovanni T1 - Can potential defects in LPBF be healed from the laser exposure of subsequent layers? BT - A quantitative study JF - Metals : open access journal N2 - Additive manufacturing (AM) of metals and in particular laser powder bed fusion (LPBF) enables a degree of freedom in design unparalleled by conventional subtractive methods. To ensure that the designed precision is matched by the produced LPBF parts, a full understanding of the interaction between the laser and the feedstock powder is needed. It has been shown that the laser also melts subjacent layers of material underneath. This effect plays a key role when designing small cavities or overhanging structures, because, in these cases, the material underneath is feed-stock powder. In this study, we quantify the extension of the melt pool during laser illumination of powder layers and the defect spatial distribution in a cylindrical specimen. During the LPBF process, several layers were intentionally not exposed to the laser beam at various locations, while the build process was monitored by thermography and optical tomography. The cylinder was finally scanned by X-ray computed tomography (XCT). To correlate the positions of the unmolten layers in the part, a staircase was manufactured around the cylinder for easier registration. The results show that healing among layers occurs if a scan strategy is applied, where the orientation of the hatches is changed for each subsequent layer. They also show that small pores and surface roughness of solidified material below a thick layer of unmolten material (>200 mu m) serve as seeding points for larger voids. The orientation of the first two layers fully exposed after a thick layer of unmolten powder shapes the orientation of these voids, created by a lack of fusion. KW - selective laser melting (SLM) KW - additive manufacturing (AM) KW - process KW - monitoring KW - infrared thermography KW - optical tomography KW - X-ray computed KW - tomography (XCT) KW - healing KW - in situ monitoring Y1 - 2021 U6 - https://doi.org/10.3390/met11071012 SN - 2075-4701 VL - 11 IS - 7 PB - MDPI CY - Basel ER - TY - JOUR A1 - Krivenkov, Maxim A1 - Marchenko, Dimitry A1 - Sánchez-Barriga, Jaime A1 - Golias, Evangelos A1 - Rader, Oliver A1 - Varykhalov, Andrei T1 - Origin of the band gap in Bi-intercalated graphene on Ir(111) JF - 2D Materials N2 - Proximity to heavy sp-elements is considered promising for reaching a band gap in graphene that could host quantum spin Hall states. The recent report of an induced spin-orbit gap of 0.2 eV in Pb-intercalated graphene detectable by spin-resolved photoemission has spurred renewed interest in such systems (Klimovskikh et al 2017 ACS Nano 11, 368). In the case of Bi intercalation an even larger band gap of 0.4 eV has been observed but was assigned to the influence of a dislocation network (Warmuth et al 2016 Phys. Rev. B 93, 165 437). Here, we study Bi intercalation under graphene on Ir(111) and report a nearly ideal graphene dispersion without band replicas and no indication of hybridization with the substrate. The band gap is small (0.19 eV) and can be tuned by +/- 25 meV through the Bi coverage. The Bi atomic density is higher than in the recent report. By spin-resolved photoemission we exclude induced spin-orbit interaction as origin of the gap. Quantitative agreement of a photoemission intensity analysis with the measured band gap suggests sublattice symmetry breaking as one of the possible band gap opening mechanisms. We test several Bi structures by density functional theory. Our results indicate the possibility that Bi intercalates in the phase of bismuthene forming a graphene-bismuthene van der Waals heterostructure. KW - graphene KW - bismuth KW - Ir(111) KW - spin-orbit interaction KW - ARPES KW - STM KW - bismuthene Y1 - 2021 U6 - https://doi.org/10.1088/2053-1583/abd1e4 SN - 2053-1583 VL - 8 IS - 3 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Zeitz, Maria A1 - Reese, Ronja A1 - Beckmann, Johanna A1 - Krebs-Kanzow, Uta A1 - Winkelmann, Ricarda T1 - Impact of the melt-albedo feedback on the future evolution of the Greenland Ice Sheet with PISM-dEBM-simple JF - The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union N2 - Surface melting of the Greenland Ice Sheet contributes a large amount to current and future sea level rise. Increased surface melt may lower the reflectivity of the ice sheet surface and thereby increase melt rates: the so-called melt-albedo feedback describes this self-sustaining increase in surface melting. In order to test the effect of the melt-albedo feedback in a prognostic ice sheet model, we implement dEBM-simple, a simplified version of the diurnal Energy Balance Model dEBM, in the Parallel Ice Sheet Model (PISM). The implementation includes a simple representation of the melt-albedo feedback and can thereby replace the positive-degree-day melt scheme. Using PISM-dEBM-simple, we find that this feedback increases ice loss through surface warming by 60 % until 2300 for the high-emission scenario RCP8.5 when compared to a scenario in which the albedo remains constant at its present-day values. With an increase of 90 % compared to a fixed-albedo scenario, the effect is more pronounced for lower surface warming under RCP2.6. Furthermore, assuming an immediate darkening of the ice surface over all summer months, we estimate an upper bound for this effect to be 70 % in the RCP8.5 scenario and a more than 4-fold increase under RCP2.6. With dEBM-simple implemented in PISM, we find that the melt-albedo feedback is an essential contributor to mass loss in dynamic simulations of the Greenland Ice Sheet under future warming. Y1 - 2021 U6 - https://doi.org/10.5194/tc-15-5739-2021 SN - 1994-0416 SN - 1994-0424 VL - 15 IS - 12 SP - 5739 EP - 5764 PB - Copernicus CY - Katlenburg-Lindau ER - TY - JOUR A1 - Pauzon, Camille A1 - Mishurova, Tatiana A1 - Evsevleev, Sergei A1 - Dubiez-Le Goff, Sophie A1 - Murugesan, Saravanakumar A1 - Bruno, Giovanni A1 - Hryha, Eduard T1 - Residual stresses and porosity in Ti-6Al-4V produced by laser powder bed fusion as a function of process atmosphere and component design JF - Additive manufacturing N2 - The influence of the process gas, laser scan speed, and sample thickness on the build-up of residual stresses and porosity in Ti-6Al-4V produced by laser powder bed fusion was studied. Pure argon and helium, as well as a mixture of those (30% helium), were employed to establish process atmospheres with a low residual oxygen content of 100 ppm O-2. The results highlight that the subsurface residual stresses measured by X-ray diffraction were significantly lower in the thin samples (220 MPa) than in the cuboid samples (645 MPa). This difference was attributed to the shorter laser vector length, resulting in heat accumulation and thus in-situ stress relief. The addition of helium to the process gas did not introduce additional subsurface residual stresses in the simple geometries, even for the increased scanning speed. Finally, larger deflection was found in the cantilever built under helium (after removal from the baseplate), than in those produced under argon and an argon-helium mixture. This result demonstrates that complex designs involving large scanned areas could be subjected to higher residual stress when manufactured under helium due to the gas's high thermal conductivity, heat capacity, and thermal diffusivity. KW - Residual stresses KW - Laser powder bed fusion KW - Process atmosphere KW - Helium KW - Ti-6Al-4V Y1 - 2021 U6 - https://doi.org/10.1016/j.addma.2021.102340 SN - 2214-8604 VL - 47 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Perdigón-Toro, Lorena A1 - Le Quang Phuong, A1 - Zeiske, Stefan A1 - Vandewal, Koen A1 - Armin, Ardalan A1 - Shoaee, Safa A1 - Neher, Dieter T1 - Excitons dominate the emission from PM6 BT - Y6 solar cells, but this does not help the open-circuit voltage of the device JF - ACS energy letters / American Chemical Society N2 - Non-fullerene acceptors (NFAs) are far more emissive than their fullerene-based counterparts. Here, we study the spectral properties of photocurrent generation and recombination of the blend of the donor polymer PM6 with the NFA Y6. We find that the radiative recombination of free charges is almost entirely due to the re-occupation and decay of Y6 singlet excitons, but that this pathway contributes less than 1% to the total recombination. As such, the open-circuit voltage of the PM6:Y6 blend is determined by the energetics and kinetics of the charge-transfer (CT) state. Moreover, we find that no information on the energetics of the CT state manifold can be gained from the low-energy tail of the photovoltaic external quantum efficiency spectrum, which is dominated by the excitation spectrum of the Y6 exciton. We, finally, estimate the charge-separated state to lie only 120 meV below the Y6 singlet exciton energy, meaning that this blend indeed represents a high-efficiency system with a low energetic offset. Y1 - 2021 U6 - https://doi.org/10.1021/acsenergylett.0c02572 SN - 2380-8195 VL - 6 IS - 2 SP - 557 EP - 564 PB - American Chemical Society CY - Washington ER -