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- Institut für Physik und Astronomie (1480) (remove)
Pre-service physics teachers often do not recognise the relevance for their future career in their university content knowledge courses. A lower perceived relevance can, however, have a negative effect on their motivation and on their academic success. Several intervention studies have been undertaken with the goal to increase this perceived relevance. A previous study shows that conceptual physics problems used in university physics courses are perceived by pre-service physics teachers as more relevant for their future career than regular, quantitative problems. It is however not clear, what the students' meaning of the construct 'relevance' is: what makes a problem more relevant to them than another problem? To answer this question, N = 7 pre-service teachers were interviewed using the repertory grid technique, based on the personal construct theory. Nine physics problems were discussed with regards to their perceived relevance and with regards to problem properties that distinguish these problems from each other. We are able to identify six problem properties that have a positive influence on the perceived relevance. Physics problems that are based on these properties should therefore potentially have a higher perceived relevance, which can have a positive effect on the motivation of the pre-service teachers who solve these problems.
The recent development of donor–acceptor copolymers has led to an enormous improvement in the performance of organic solar cells and organic field-effect transistors. Here we describe the synthesis, detailed characterisation, and application of a series of structurally modified copolymers to investigate fundamental structure–property relationships in this class of conjugated polymers. The interplay between chemical structure and optoelectronic properties is investigated. These are further correlated to the charge transport and solar cell performance, which allows us to link their chemical structure to the observed physical properties.
Nonstationary coherence-incoherence patterns in nonlocally coupled heterogeneous phase oscillators
(2020)
We consider a large ring of nonlocally coupled phase oscillators and show that apart from stationary chimera states, this system also supports nonstationary coherence-incoherence patterns (CIPs). For identical oscillators, these CIPs behave as breathing chimera states and are found in a relatively small parameter region only. It turns out that the stability region of these states enlarges dramatically if a certain amount of spatially uniform heterogeneity (e.g., Lorentzian distribution of natural frequencies) is introduced in the system. In this case, nonstationary CIPs can be studied as stable quasiperiodic solutions of a corresponding mean-field equation, formally describing the infinite system limit. Carrying out direct numerical simulations of the mean-field equation, we find different types of nonstationary CIPs with pulsing and/or alternating chimera-like behavior. Moreover, we reveal a complex bifurcation scenario underlying the transformation of these CIPs into each other. These theoretical predictions are confirmed by numerical simulations of the original coupled oscillator system.
Flow control is a highly relevant topic for micromanipulation of colloidal particles in microfluidic applications. Here, we report on a system that combines two-surface bound flows emanating from thermo-osmotic and diffusio-osmotic mechanisms. These opposing flows are generated at a gold surface immersed into an aqueous solution containing a photo-sensitive surfactant, which is irradiated by a focused UV laser beam. At low power of incoming light, diffusio-osmotic flow due to local photo-isomerization of the surfactant dominates, resulting in a flow pattern oriented away from the irradiated area. In contrast, thermo-osmotic flow takes over due to local heating of the gold surface at larger power, consequently inducing a flow pointing toward the hotspot. In this way, this system allows one to reversibly switch from outward to inward liquid flow with an intermittent range of zero flow at which tracer particles undergo thermal motion by just tuning the laser intensity only. Our work, thus, demonstrates an optofluidic system for flow generation with a high degree of controllability that is necessary to transport particles precisely to desired locations, thereby opening innovative possibilities to generate advanced microfluidic applications.
We study the peculiar response of photo-sensitive polymer films irradiated with a certain type of interference pattern where one interfering beam is S-polarized, while the second one is P-polarized. The polymer film, although in a glassy state, deforms following the local polarization distribution of the incident light, and a surface relief grating (SRG) appears whose period is half the optical one. All other types of interference patterns result in the matching of both periods. The topographical response is triggered by the alignment of photo-responsive azobenzene containing polymer side chains orthogonal to the local electrical field, resulting in a bulk birefringence grating (BBG). We investigate the process of dual grating formation (SRG and BBG) in a polymer film utilizing a dedicated set-up that combines probe beam diffraction and atomic force microscopy (AFM) measurements, and permits acquiring in situ and in real-time information about changes in local topography and birefringence. We find that the SRG maxima appear at the positions of linearly polarized light (tilted by 45 degrees relative to the grating vector), causing the formation of the half-period topography. This permits to inscribe symmetric and asymmetric topography gratings with sub-wavelength period, while changing only slightly the polarization of one of the interfering beams. We demonstrate an easy generation of sawtooth profiles (blazed gratings) with adjustable shape. With these results, we have taken a significant step in understanding the photo-induced deformation of azo-polymer films.
We present a diffusion-based simulation and theoretical models for explanation of the photoluminescence (PL) emission intensity in semiconductor nanoplatelets. It is shown that the shape of the PL intensity curves can be reproduced by the interplay of recombination, diffusion and trapping of excitons. The emission intensity at short times is purely exponential and is defined by recombination. At long times, it is governed by the release of excitons from surface traps and is characterized by a power-law tail. We show that the crossover from one limit to another is controlled by diffusion properties. This intermediate region exhibits a rich behaviour depending on the value of diffusivity. The proposed approach reproduces all the features of experimental curves measured for different nanoplatelet systems.
Context. The High Energy Stereoscopic System Galactic plane survey (HGPS) is to date the most comprehensive census of Galactic gamma -ray sources at very high energies (VHE; 100 GeV <= E <= 100 TeV). As a consequence of the limited sensitivity of this survey, the 78 detected gamma -ray sources comprise only a small and biased subsample of the overall population. The larger part consists of currently unresolved sources, which contribute to large-scale diffuse emission to a still uncertain amount.Aims. We study the VHE gamma -ray source population in the Milky Way. For this purpose population-synthesis models are derived based on the distributions of source positions, extents, and luminosities.Methods. Several azimuth-symmetric and spiral-arm models are compared for spatial source distribution. The luminosity and radius function of the population are derived from the source properties of the HGPS data set and are corrected for the sensitivity bias of the HGPS. Based on these models, VHE source populations are simulated and the subsets of sources detectable according to the HGPS are compared with HGPS sources.Results. The power-law indices of luminosity and radius functions are determined to range between -1.6 and -1.9 for luminosity and -1.1 and -1.6 for radius. A two-arm spiral structure with central bar is discarded as spatial distribution of VHE sources, while azimuth-symmetric distributions and a distribution following a four-arm spiral structure without bar describe the HGPS data reasonably well. The total number of Galactic VHE sources is predicted to be in the range from 800 to 7000 with a total luminosity and flux of (1.6-6.3) x 10(36) ph s(-1) and (3-15) x 10(-10) ph cm(-2) s(-1), respectively.Conclusions. Depending on the model, the HGPS sample accounts for (68-87)% of the emission of the population in the scanned region. This suggests that unresolved sources represent a critical component of the diffuse emission measurable in the HGPS. With the foreseen jump in sensitivity of the Cherenkov Telescope Array, the number of detectable sources is predicted to increase by a factor between 5 and 9.
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.
Brownian motion and viscoelastic anomalous diffusion in homogeneous environments are intrinsically Gaussian processes. In a growing number of systems, however, non-Gaussian displacement distributions of these processes are being reported. The physical cause of the non-Gaussianity is typically seen in different forms of disorder. These include, for instance, imperfect "ensembles" of tracer particles, the presence of local variations of the tracer mobility in heteroegenous environments, or cases in which the speed or persistence of moving nematodes or cells are distributed. From a theoretical point of view stochastic descriptions based on distributed ("superstatistical") transport coefficients as well as time-dependent generalisations based on stochastic transport parameters with built-in finite correlation time are invoked. After a brief review of the history of Brownian motion and the famed Gaussian displacement distribution, we here provide a brief introduction to the phenomenon of non-Gaussianity and the stochastic modelling in terms of superstatistical and diffusing-diffusivity approaches.
Bacterial chemotaxis-a fundamental example of directional navigation in the living world-is key to many biological processes, including the spreading of bacterial infections. Many bacterial species were recently reported to exhibit several distinct swimming modes-the flagella may, for example, push the cell body or wrap around it. How do the different run modes shape the chemotaxis strategy of a multimode swimmer? Here, we investigate chemotactic motion of the soil bacterium Pseudomonas putida as a model organism. By simultaneously tracking the position of the cell body and the configuration of its flagella, we demonstrate that individual run modes show different chemotactic responses in nutrition gradients and, thus, constitute distinct behavioral states. On the basis of an active particle model, we demonstrate that switching between multiple run states that differ in their speed and responsiveness provides the basis for robust and efficient chemotaxis in complex natural habitats.
Gamma-ray bursts (GRBs) are some of the Universe’s most enigmatic and exotic events. However, at energies above 10 GeV their behaviour remains largely unknown. Although space based telescopes such as the Fermi-LAT have been able to detect GRBs in this energy range, their photon statistics are limited by the small detector size. Such limitations are not present in ground based gamma-ray telescopes such as the H.E.S.S. experiment, which has now entered its second phase with the addition of a large 600 m2 telescope to the centre of the array. Such a large telescope allows H.E.S.S. to access the sub 100-GeV energy range while still maintaining a large effective collection area, helping to potentially probe the short timescale emission of these events.
We present a description of the H.E.S.S. GRB observation programme, summarising the performance of the rapid GRB repointing system and the conditions under which GRB observations are initiated. Additionally we will report on the GRB follow-ups made during the 2014-15 observation campaigns.
HESS J1826-130
(2017)
HESS J1826-130 is an unidentified hard spectrum source discovered by H.E.S.S. along the Galactic plane, the spectral index being Gamma = 1.6 with an exponential cut-off at about 12 TeV. While the source does not have a clear counterpart at longer wavelengths, the very hard spectrum emission at TeV energies implies that electrons or protons accelerated up to several hundreds of TeV are responsible for the emission. In the hadronic case, the VHE emission can be produced by runaway cosmic-rays colliding with the dense molecular clouds spatially coincident with the H.E.S.S. source.
We report on photoisomerization kinetics of azobenzene containing surfactants in aqueous solution. The surfactant molecule consists of a positively charged trimethylammonium bromide head group, a hydrophobic spacer connecting via 6 to 10 CH2 groups to the azobenzene unit, and the hydrophobic tail of 1 and 3CH(2) groups. Under exposure to light, the azobenzene photoisomerizes from more stable trans- to metastable cis-state, which can be switched back either thermally in dark or by illumination with light of a longer wavelength. The surfactant isomerization is described by a kinetic model of a pseudo first order reaction approaching equilibrium, where the intensity controls the rate of isomerization until the equilibrated state. The rate constants of the trans-cis and cis-trans photoisomerization are calculated as a function of several parameters such as wavelength and intensity of light, the surfactant concentration, and the length of the hydrophobic tail. The thermal relaxation rate from cis- to trans-state is studied as well. The surfactant isomerization shows a different kinetic below and above the critical micellar concentration of the trans isomer due to steric hindrance within the densely packed micelle but does not depend on the spacer length.
We consider an ensemble of phase oscillators in the thermodynamic limit, where it is described by a kinetic equation for the phase distribution density. We propose an Ansatz for the circular moments of the distribution (Kuramoto-Daido order parameters) that allows for an exact truncation at an arbitrary number of modes. In the simplest case of one mode, the Ansatz coincides with that of Ott and Antonsen [Chaos 18, 037113 (2008)]. Dynamics on the extended manifolds facilitate higher-dimensional behavior such as chaos, which we demonstrate with a simulation of a Josephson junction array. The findings are generalized for oscillators with a Cauchy-Lorentzian distribution of natural frequencies.
The unidentified very-high-energy (VHE; E > 0.1 TeV) gamma -ray source, HESS J1826-130, was discovered with the High Energy Stereoscopic System (HESS) in the Galactic plane. The analysis of 215 h of HESS data has revealed a steady gamma -ray flux from HESS J1826-130, which appears extended with a half-width of 0.21 degrees +/- 0.02 <br /> (stat)degrees <br /> stat degrees +/- 0.05 <br /> (sys)degrees sys degrees . The source spectrum is best fit with either a power-law function with a spectral index Gamma = 1.78 +/- 0.10(stat) +/- 0.20(sys) and an exponential cut-off at 15.2 <br /> (+5.5)(-3.2) -3.2+5.5 TeV, or a broken power-law with Gamma (1) = 1.96 +/- 0.06(stat) +/- 0.20(sys), Gamma (2) = 3.59 +/- 0.69(stat) +/- 0.20(sys) for energies below and above E-br = 11.2 +/- 2.7 TeV, respectively. The VHE flux from HESS J1826-130 is contaminated by the extended emission of the bright, nearby pulsar wind nebula, HESS J1825-137, particularly at the low end of the energy spectrum. Leptonic scenarios for the origin of HESS J1826-130 VHE emission related to PSR J1826-1256 are confronted by our spectral and morphological analysis. In a hadronic framework, taking into account the properties of dense gas regions surrounding HESS J1826-130, the source spectrum would imply an astrophysical object capable of accelerating the parent particle population up to greater than or similar to 200 TeV. Our results are also discussed in a multiwavelength context, accounting for both the presence of nearby supernova remnants, molecular clouds, and counterparts detected in radio, X-rays, and TeV energies.
Beim Resonanzenergietransfer werden Fotonen von einem angeregten Donator über einen Wechselwirkungsabstand auf einen Akzeptor übertragen. Nach der quantenmechanischen Theorie von FÖRSTER kann dieser Abstand mit Hilfe des Überlappungsintegrals von Fluoreszenzspektrum des Donators und Absorp-tionsspektrum des Akzeptors berechnet werden.
Eine andere Möglichkeit der Bestimmung erhält man mit Hilfe von statistischen Modellen, die in einem Überblick zusammengestellt sind. Dabei kann der Abstand durch Auswertung der Löschkurve bestimmt werden.
In dieser Arbeit wird dazu eine weitere statistische Variante der Bestimmung des Wechselwirkungsradius hinzugefügt und an einem Beispiel ausführlich demonstriert.
Beim Resonanzenergietransfer werden Fotonen von einem angeregten Donator über einen Wechselwirkungsabstand auf einen Akzeptor übertragen. Nach der quantenmechanischen Theorie von FÖRSTER kann dieser Abstand mit Hilfe des Überlappungsintegrals von Fluoreszenzspektrum des Donators und Absorp-tionsspektrum des Akzeptors berechnet werden.
Eine andere Möglichkeit der Bestimmung erhält man mit Hilfe von statistischen Modellen, die in einem Überblick zusammengestellt sind. Dabei kann der Abstand durch Auswertung der Löschkurve bestimmt werden.
In dieser Arbeit wird dazu eine weitere statistische Variante der Bestimmung des Wechselwirkungsradius hinzugefügt und an einem Beispiel ausführlich demonstriert.
About two decades ago it was discovered that systems of nonlocally coupled oscillators can exhibit unusual symmetry-breaking patterns composed of coherent and incoherent regions. Since then such patterns, called chimera states, have been the subject of intensive study but mostly in the stationary case when the coarse-grained system dynamics remains unchanged over time. Nonstationary coherence-incoherence patterns, in particular periodically breathing chimera states, were also reported, however not investigated systematically because of their complexity. In this paper we suggest a semi-analytic solution to the above problem providing a mathematical framework for the analysis of breathing chimera states in a ring of nonlocally coupled phase oscillators. Our approach relies on the consideration of an integro-differential equation describing the long-term coarse-grained dynamics of the oscillator system. For this equation we specify a class of solutions relevant to breathing chimera states. We derive a self-consistency equation for these solutions and carry out their stability analysis. We show that our approach correctly predicts macroscopic features of breathing chimera states. Moreover, we point out its potential application to other models which can be studied using the Ott-Antonsen reduction technique.
Flexible all-perovskite tandem photovoltaics open up new opportunities for application compared to rigid devices, yet their performance lags behind. Now, researchers show that molecule-bridged interfaces mitigate charge recombination and crack formation, improving the efficiency and mechanical reliability of flexible devices.
The ionospheric delay of global navigation satellite systems (GNSS) signals typically is compensated by adding a single correction value to the pseudorange measurement of a GNSS receiver. Yet, this neglects the dispersive nature of the ionosphere. In this context we analyze the ionospheric signal distortion beyond a constant delay. These effects become increasingly significant with the signal bandwidth and hence more important for new broadband navigation signals. Using measurements of the Galileo E5 signal, captured with a high gain antenna, we verify that the expected influence can indeed be observed and compensated. A new method to estimate the total electron content (TEC) from a single frequency high gain antenna measurement of a broadband GNSS signal is proposed and described in detail. The received signal is de facto unaffected by multi-path and interference because of the narrow aperture angle of the used antenna which should reduce the error source of the result in general. We would like to point out that such measurements are independent of code correlation, like in standard receiver applications. It is therefore also usable without knowledge of the signal coding. Results of the TEC estimation process are shown and discussed comparing to common TEC products like TEC maps and dual frequency receiver estimates.
Breaking news from the HST
(2016)
SAO 244567 is a rare example of a star that allows us to witness stellar evolution in real time. Between 1971 and 1990, it changed from a B-type star into the hot central star of the Stingray Nebula. This observed rapid heating has been a mystery for decades, since it is in strong contradiction with the low mass of the star and canonical post-asymptotic giant branch (AGB) evolution. We speculated that SAO 244567 might have suffered from a late thermal pulse (LTP) and obtained new observations with Hubble Space Telescope (HST)/COS to follow the evolution of the surface properties of SAO 244567 and to verify the LTP hypothesis. Our non-LTE spectral analysis reveals that the star cooled significantly since 2002 and that its envelope is now expanding. Therefore, we conclude that SAO 244567 is currently on its way back towards the AGB, which strongly supports the LTP hypothesis. A comparison with state-of-the-art LTP evolutionary calculations shows that these models cannot fully reproduce the evolution of all surface parameters simultaneously, pointing out possible shortcomings of stellar evolution models. Thereby, SAO 244567 keeps on challenging stellar evolution theory and we highly encourage further investigations.
Mass loss from the Antarctic Ice Sheet constitutes the largest uncertainty in projections of future sea level rise. Ocean-driven melting underneath the floating ice shelves and subsequent acceleration of the inland ice streams are the major reasons for currently observed mass loss from Antarctica and are expected to become more important in the future. Here we show that for projections of future mass loss from the Antarctic Ice Sheet, it is essential (1) to better constrain the sensitivity of sub-shelf melt rates to ocean warming and (2) to include the historic trajectory of the ice sheet. In particular, we find that while the ice sheet response in simulations using the Parallel Ice Sheet Model is comparable to the median response of models in three Antarctic Ice Sheet Intercomparison projects - initMIP, LARMIP-2 and ISMIP6 - conducted with a range of ice sheet models, the projected 21st century sea level contribution differs significantly depending on these two factors. For the highest emission scenario RCP8.5, this leads to projected ice loss ranging from 1:4 to 4:0 cm of sea level equivalent in simulations in which ISMIP6 ocean forcing drives the PICO ocean box model where parameter tuning leads to a comparably low sub-shelf melt sensitivity and in which no surface forcing is applied. This is opposed to a likely range of 9:1 to 35:8 cm using the exact same initial setup, but emulated from the LARMIP-2 experiments with a higher melt sensitivity, even though both projects use forcing from climate models and melt rates are calibrated with previous oceanographic studies. Furthermore, using two initial states, one with a previous historic simulation from 1850 to 2014 and one starting from a steady state, we show that while differences between the ice sheet configurations in 2015 seem marginal at first sight, the historic simulation increases the susceptibility of the ice sheet to ocean warming, thereby increasing mass loss from 2015 to 2100 by 5% to 50 %. Hindcasting past ice sheet changes with numerical models would thus provide valuable tools to better constrain projections. Our results emphasize that the uncertainty that arises from the forcing is of the same order of magnitude as the ice dynamic response for future sea level projections.
ISMIP6 Antarctica
(2020)
Ice flow models of the Antarctic ice sheet are commonly used to simulate its future evolution in response to different climate scenarios and assess the mass loss that would contribute to future sea level rise. However, there is currently no consensus on estimates of the future mass balance of the ice sheet, primarily because of differences in the representation of physical processes, forcings employed and initial states of ice sheet models. This study presents results from ice flow model simulations from 13 international groups focusing on the evolution of the Antarctic ice sheet during the period 2015-2100 as part of the Ice Sheet Model Intercomparison for CMIP6 (ISMIP6). They are forced with outputs from a subset of models from the Coupled Model Intercomparison Project Phase 5 (CMIP5), representative of the spread in climate model results. Simulations of the Antarctic ice sheet contribution to sea level rise in response to increased warming during this period varies between 7:8 and 30.0 cm of sea level equivalent (SLE) under Representative Concentration Pathway (RCP) 8.5 scenario forcing. These numbers are relative to a control experiment with constant climate conditions and should therefore be added to the mass loss contribution under climate conditions similar to present-day conditions over the same period. The simulated evolution of the West Antarctic ice sheet varies widely among models, with an overall mass loss, up to 18.0 cm SLE, in response to changes in oceanic conditions. East Antarctica mass change varies between 6 :1 and 8.3 cm SLE in the simulations, with a significant increase in surface mass balance outweighing the increased ice discharge under most RCP 8.5 scenario forcings. The inclusion of ice shelf collapse, here assumed to be caused by large amounts of liquid water ponding at the surface of ice shelves, yields an additional simulated mass loss of 28mm compared to simulations without ice shelf collapse. The largest sources of uncertainty come from the climate forcing, the ocean-induced melt rates, the calibration of these melt rates based on oceanic conditions taken outside of ice shelf cavities and the ice sheet dynamic response to these oceanic changes. Results under RCP 2.6 scenario based on two CMIP5 climate models show an additional mass loss of 0 and 3 cm of SLE on average compared to simulations done under present-day conditions for the two CMIP5 forcings used and display limited mass gain in East Antarctica.
A task-based parallel elliptic solver for numerical relativity with discontinuous Galerkin methods
(2022)
Elliptic partial differential equations are ubiquitous in physics. In numerical relativity---the study of computational solutions to the Einstein field equations of general relativity---elliptic equations govern the initial data that seed every simulation of merging black holes and neutron stars. In the quest to produce detailed numerical simulations of these most cataclysmic astrophysical events in our Universe, numerical relativists resort to the vast computing power offered by current and future supercomputers. To leverage these computational resources, numerical codes for the time evolution of general-relativistic initial value problems are being developed with a renewed focus on parallelization and computational efficiency. Their capability to solve elliptic problems for accurate initial data must keep pace with the increasing detail of the simulations, but elliptic problems are traditionally hard to parallelize effectively.
In this thesis, I develop new numerical methods to solve elliptic partial differential equations on computing clusters, with a focus on initial data for orbiting black holes and neutron stars. I develop a discontinuous Galerkin scheme for a wide range of elliptic equations, and a stack of task-based parallel algorithms for their iterative solution. The resulting multigrid-Schwarz preconditioned Newton-Krylov elliptic solver proves capable of parallelizing over 200 million degrees of freedom to at least a few thousand cores, and already solves initial data for a black hole binary about ten times faster than the numerical relativity code SpEC. I also demonstrate the applicability of the new elliptic solver across physical disciplines, simulating the thermal noise in thin mirror coatings of interferometric gravitational-wave detectors to unprecedented accuracy. The elliptic solver is implemented in the new open-source SpECTRE numerical relativity code, and set up to support simulations of astrophysical scenarios for the emerging era of gravitational-wave and multimessenger astronomy.
In this study we investigate, using all-atom molecular-dynamics computer simulations, the in-plane diffusion of a doxorubicin drug molecule in a thin film of water confined between two silica surfaces. We find that the molecule diffuses along the channel in the manner of a Gaussian diffusion process, but with parameters that vary according to its varying transversal position. Our analysis identifies that four Gaussians, each describing particle motion in a given transversal region, are needed to adequately describe the data. Each of these processes by itself evolves with time at a rate slower than that associated with classical Brownian motion due to a predominance of anticorrelated displacements. Long adsorption events lead to ageing, a property observed when the diffusion is intermittently hindered for periods of time with an average duration which is theoretically infinite. This study presents a simple system in which many interesting features of anomalous diffusion can be explored. It exposes the complexity of diffusion in nanoconfinement and highlights the need to develop new understanding.
The relationship between residual stresses and microstructure associated with a laser powder bed fusion (LPBF) IN718 alloy has been investigated on specimens produced with three different scanning strategies (unidirectional Y-scan, 90 degrees XY-scan, and 67 degrees Rot-scan). Synchrotron X-ray energy-dispersive diffraction (EDXRD) combined with optical profilometry was used to study residual stress (RS) distribution and distortion upon removal of the specimens from the baseplate. The microstructural characterization of both the bulk and the near-surface regions was conducted using scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD). On the top surfaces of the specimens, the highest RS values are observed in the Y-scan specimen and the lowest in the Rot-scan specimen, while the tendency is inversed on the side lateral surfaces. A considerable amount of RS remains in the specimens after their removal from the baseplate, especially in the Y- and Z-direction (short specimen dimension and building direction (BD), respectively). The distortion measured on the top surface following baseplate thinning and subsequent removal is mainly attributed to the amount of RS released in the build direction. Importantly, it is observed that the additive manufacturing microstructures challenge the use of classic theoretical models for the calculation of diffraction elastic constants (DEC) required for diffraction-based RS analysis. It is found that when the Reuss model is used for the calculation of RS for different crystal planes, as opposed to the conventionally used Kroner model, the results exhibit lower scatter. This is discussed in context of experimental measurements of DEC available in the literature for conventional and additively manufactured Ni-base alloys.
In this study we investigate two distinct loss mechanisms responsible for the rapid dropouts of radiation belt electrons by assimilating data from Van Allen Probes A and B and Geostationary Operational Environmental Satellites (GOES) 13 and 15 into a 3-D diffusion model. In particular, we examine the respective contribution of electromagnetic ion cyclotron (EMIC) wave scattering and magnetopause shadowing for values of the first adiabatic invariant mu ranging from 300 to 3,000 MeV G(-1). We inspect the innovation vector and perform a statistical analysis to quantitatively assess the effect of both processes as a function of various geomagnetic indices, solar wind parameters, and radial distance from the Earth. Our results are in agreement with previous studies that demonstrated the energy dependence of these two mechanisms. We show that EMIC wave scattering tends to dominate loss at lower L shells, and it may amount to between 10%/hr and 30%/hr of the maximum value of phase space density (PSD) over all L shells for fixed first and second adiabatic invariants. On the other hand, magnetopause shadowing is found to deplete electrons across all energies, mostly at higher L shells, resulting in loss from 50%/hr to 70%/hr of the maximum PSD. Nevertheless, during times of enhanced geomagnetic activity, both processes can operate beyond such location and encompass the entire outer radiation belt.
Whereas self-propelled hard discs undergo motility-induced phase separation, self-propelled rods exhibit a variety of nonequilibrium phenomena, including clustering, collective motion, and spatio-temporal chaos. In this work, we present a theoretical framework representing active particles by continuum fields. This concept combines the simplicity of alignment-based models, enabling analytical studies, and realistic models that incorporate the shape of self-propelled objects explicitly. By varying particle shape from circular to ellipsoidal, we show how nonequilibrium stresses acting among self-propelled rods destabilize motility-induced phase separation and facilitate orientational ordering, thereby connecting the realms of scalar and vectorial active matter. Though the interaction potential is strictly apolar, both, polar and nematic order may emerge and even coexist. Accordingly, the symmetry of ordered states is a dynamical property in active matter. The presented framework may represent various systems including bacterial colonies, cytoskeletal extracts, or shaken granular media. Interacting self-propelled particles exhibit phase separation or collective motion depending on particle shape. A unified theory connecting these paradigms represents a major challenge in active matter, which the authors address here by modeling active particles as continuum fields.
The complex hierarchical structure of bone undergoes a lifelong remodeling process, where it adapts to mechanical needs. Hereby, bone resorption by osteoclasts and bone formation by osteoblasts have to be balanced to sustain a healthy and stable organ. Osteocytes orchestrate this interplay by sensing mechanical strains and translating them into biochemical signals. The osteocytes are located in lacunae and are connected to one another and other bone cells via cell processes through small channels, the canaliculi. Lacunae and canaliculi form a network (LCN) of extracellular spaces that is able to transport ions and enables cell-to-cell communication. Osteocytes might also contribute to mineral homeostasis by direct interactions with the surrounding matrix. If the LCN is acting as a transport system, this should be reflected in the mineralization pattern. The central hypothesis of this thesis is that osteocytes are actively changing their material environment. Characterization methods of material science are used to achieve the aim of detecting traces of this interaction between osteocytes and the extracellular matrix. First, healthy murine bones were characterized. The properties analyzed were then compared with three murine model systems: 1) a loading model, where a bone of the mouse was loaded during its life time; 2) a healing model, where a bone of the mouse was cut to induce a healing response; and 3) a disease model, where the Fbn1 gene is dysfunctional causing defects in the formation of the extracellular tissue.
The measurement strategy included routines that make it possible to analyze the organization of the LCN and the material components (i.e., the organic collagen matrix and the mineral particles) in the same bone volumes and compare the spatial distribution of different data sets. The three-dimensional network architecture of the LCN is visualized by confocal laser scanning microscopy (CLSM) after rhodamine staining and is then subsequently quantified. The calcium content is determined via quantitative backscattered electron imaging (qBEI), while small- and wide-angle X-ray scattering (SAXS and WAXS) are employed to determine the thickness and length of local mineral particles.
First, tibiae cortices of healthy mice were characterized to investigate how changes in LCN architecture can be attributed to interactions of osteocytes with the surrounding bone matrix. The tibial mid-shaft cross-sections showed two main regions, consisting of a band with unordered LCN surrounded by a region with ordered LCN. The unordered region is a remnant of early bone formation and exhibited short and thin mineral particles. The surrounding, more aligned bone showed ordered and dense LCN as well as thicker and longer mineral particles. The calcium content was unchanged between the two regions.
In the mouse loading model, the left tibia underwent two weeks of mechanical stimulation, which results in increased bone formation and decreased resorption in skeletally mature mice. Here the specific research question addressed was how do bone material characteristics change at (re)modeling sites? The new bone formed in response to mechanical stimulation showed similar properties in terms of the mineral particles, like the ordered calcium region but lower calcium content compared to the right, non-loaded control bone of the same mice. There was a clear, recognizable border between mature and newly formed bone. Nevertheless, some canaliculi went through this border connecting the LCN of mature and newly formed bone.
Additionally, the question should be answered whether the LCN topology and the bone matrix material properties adapt to loading. Although, mechanically stimulated bones did not show differences in calcium content compared to controls, different correlations were found between the local LCN density and the local Ca content depending on whether the bone was loaded or not. These results suggest that the LCN may serve as a mineral reservoir.
For the healing model, the femurs of mice underwent an osteotomy, stabilized with an external fixator and were allowed to heal for 21 days. Thus, the spatial variations in the LCN topology with mineral properties within different tissue types and their interfaces, namely calcified cartilage, bony callus and cortex, could be simultaneously visualized and compared in this model. All tissue types showed structural differences across multiple length scales. Calcium content increased and became more homogeneous from calcified cartilage to bony callus to lamellar cortical bone. The degree of LCN organization increased as well, while the lacunae became smaller, as did the lacunar density between these different tissue types that make up the callus. In the calcified cartilage, the mineral particles were short and thin. The newly formed callus exhibited thicker mineral particles, which still had a low degree of orientation. While most of the callus had a woven-like structure, it also served as a scaffold for more lamellar tissue at the edges. The lamelar bone callus showed thinner mineral particles, but a higher degree of alignment in both, mineral particles and the LCN. The cortex showed the highest values for mineral length, thickness and degree of orientation. At the same time, the lacunae number density was 34% lower and the lacunar volume 40% smaller compared to bony callus. The transition zone between cortical and callus regions showed a continuous convergence of bone mineral properties and lacunae shape. Although only a few canaliculi connected callus and the cortical region, this indicates that communication between osteocytes of both tissues should be possible. The presented correlations between LCN architecture and mineral properties across tissue types may suggest that osteocytes have an active role in mineralization processes of healing.
A mouse model for the disease marfan syndrome, which includes a genetic defect in the fibrillin-1 gene, was investigated. In humans, Marfan syndrome is characterized by a range of clinical symptoms such as long bone overgrowth, loose joints, reduced bone mineral density, compromised bone microarchitecture, and increased fracture rates. Thus, fibrillin-1 seems to play a role in the skeletal homeostasis. Therefore, the present work studied how marfan syndrome alters LCN architecture and the surrounding bone matrix. The mice with marfan syndrome showed longer tibiae than their healthy littermates from an age of seven weeks onwards. In contrast, the cortical development appeared retarded, which was observed across all measured characteristics, i. e. lower endocortical bone formation, looser and less organized lacuno-canalicular network, less collagen orientation, thinner and shorter mineral particles.
In each of the three model systems, this study found that changes in the LCN architecture spatially correlated with bone matrix material parameters. While not knowing the exact mechanism, these results provide indications that osteocytes can actively manipulate a mineral reservoir located around the canaliculi to make a quickly accessible contribution to mineral homeostasis. However, this interaction is most likely not one-sided, but could be understood as an interplay between osteocytes and extra-cellular matrix, since the bone matrix contains biochemical signaling molecules (e.g. non-collagenous proteins) that can change osteocyte behavior. Bone (re)modeling can therefore not only be understood as a method for removing defects or adapting to external mechanical stimuli, but also for increasing the efficiency of possible osteocyte-mineral interactions during bone homeostasis. With these findings, it seems reasonable to consider osteocytes as a target for drug development related to bone diseases that cause changes in bone composition and mechanical properties. It will most likely require the combined effort of materials scientists, cell biologists, and molecular biologists to gain a deeper understanding of how bone cells respond to their material environment.
In the present thesis I investigate the lattice dynamics of thin film hetero structures of magnetically ordered materials upon femtosecond laser excitation as a probing and manipulation scheme for the spin system. The quantitative assessment of laser induced thermal dynamics as well as generated picosecond acoustic pulses and their respective impact on the magnetization dynamics of thin films is a challenging endeavor. All the more, the development and implementation of effective experimental tools and comprehensive models are paramount to propel future academic and technological progress.
In all experiments in the scope of this cumulative dissertation, I examine the crystal lattice of nanoscale thin films upon the excitation with femtosecond laser pulses. The relative change of the lattice constant due to thermal expansion or picosecond strain pulses is directly monitored by an ultrafast X-ray diffraction (UXRD) setup with a femtosecond laser-driven plasma X-ray source (PXS). Phonons and spins alike exert stress on the lattice, which responds according to the elastic properties of the material, rendering the lattice a versatile sensor for all sorts of ultrafast interactions. On the one hand, I investigate materials with strong magneto-elastic properties; The highly magnetostrictive rare-earth compound TbFe2, elemental Dysprosium or the technological relevant Invar material FePt. On the other hand I conduct a comprehensive study on the lattice dynamics of Bi1Y2Fe5O12 (Bi:YIG), which exhibits high-frequency coherent spin dynamics upon femtosecond laser excitation according to the literature. Higher order standing spinwaves (SSWs) are triggered by coherent and incoherent motion of atoms, in other words phonons, which I quantified with UXRD. We are able to unite the experimental observations of the lattice and magnetization dynamics qualitatively and quantitatively. This is done with a combination of multi-temperature, elastic, magneto-elastic, anisotropy and micro-magnetic modeling.
The collective data from UXRD, to probe the lattice, and time-resolved magneto-optical Kerr effect (tr-MOKE) measurements, to monitor the magnetization, were previously collected at different experimental setups. To improve the precision of the quantitative assessment of lattice and magnetization dynamics alike, our group implemented a combination of UXRD and tr-MOKE in a singular experimental setup, which is to my knowledge, the first of its kind. I helped with the conception and commissioning of this novel experimental station, which allows the simultaneous observation of lattice and magnetization dynamics on an ultrafast timescale under identical excitation conditions. Furthermore, I developed a new X-ray diffraction measurement routine which significantly reduces the measurement time of UXRD experiments by up to an order of magnitude. It is called reciprocal space slicing (RSS) and utilizes an area detector to monitor the angular motion of X-ray diffraction peaks, which is associated with lattice constant changes, without a time-consuming scan of the diffraction angles with the goniometer. RSS is particularly useful for ultrafast diffraction experiments, since measurement time at large scale facilities like synchrotrons and free electron lasers is a scarce and expensive resource. However, RSS is not limited to ultrafast experiments and can even be extended to other diffraction techniques with neutrons or electrons.
Elementary particle physics is a contemporary topic in science that is slowly being integrated into high-school education. These new implementations are challenging teachers’ professional knowledge worldwide. Therefore, physics education research is faced with two important questions, namely, how can particle physics be integrated in high-school physics curricula and how best to support teachers in enhancing their professional knowledge on particle physics. This doctoral research project set up to provide better guidelines for answering these two questions by conducting three studies on high-school particle physics education.
First, an expert concept mapping study was conducted to elicit experts’ expectations on what high-school students should learn about particle physics. Overall, 13 experts in particle physics, computing, and physics education participated in 9 concept mapping rounds. The broad knowledge base of the experts ensured that the final expert concept map covers all major particle physics aspects. Specifically, the final expert concept map includes 180 concepts and examples, connected with 266 links and crosslinks. Among them are also several links to students’ prior knowledge in topics such as mechanics and thermodynamics. The high interconnectedness of the concepts shows possible opportunities for including particle physics as a context for other curricular topics. As such, the resulting expert concept map is showcased as a well-suited tool for teachers to scaffold their instructional practice.
Second, a review of 27 high-school physics curricula was conducted. The review uncovered which concepts related to particle physics can be identified in most curricula. Each curriculum was reviewed by two reviewers that followed a codebook with 60 concepts related to particle physics. The analysis showed that most curricula mention cosmology, elementary particles, and charges, all of which are considered theoretical particle physics concepts. None of the experimental particle physics concepts appeared in more than half of the reviewed curricula. Additional analysis was done on two curricular subsets, namely curricula with and curricula without an explicit particle physics chapter. Curricula with an explicit particle physics chapter mention several additional explicit particle physics concepts, namely the Standard Model of particle physics, fundamental interactions, antimatter research, and particle accelerators. The latter is an example of experimental particle physics concepts. Additionally, the analysis revealed that, overall, most curricula include Nature of Science and history of physics, albeit both are typically used as context or as a tool for teaching, respectively.
Third, a Delphi study was conducted to investigate stakeholders’ expectations regarding what teachers should learn in particle physics professional development programmes. Over 100 stakeholders from 41 countries represented four stakeholder groups, namely physics education researchers, research scientists, government representatives, and high-school teachers. The study resulted in a ranked list of the 13 most important topics to be included in particle physics professional development programmes. The highest-ranked topics are cosmology, the Standard Model, and real-life applications of particle physics. All stakeholder groups agreed on the overall ranking of the topics. While the highest-ranked topics are again more theoretical, stakeholders also expect teachers to learn about experimental particle physics topics, which are ranked as medium importance topics.
The three studies addressed two research aims of this doctoral project. The first research aim was to explore to what extent particle physics is featured in high-school physics curricula. The comparison of the outcomes of the curricular review and the expert concept map showed that curricula cover significantly less than what experts expect high-school students to learn about particle physics. For example, most curricula do not include concepts that could be classified as experimental particle physics. However, the strong connections between the different concept show that experimental particle physics can be used as context for theoretical particle physics concepts, Nature of Science, and other curricular topics. In doing so, particle physics can be introduced in classrooms even though it is not (yet) explicitly mentioned in the respective curriculum.
The second research aim was to identify which aspects of content knowledge teachers are expected to learn about particle physics. The comparison of the Delphi study results to the outcomes of the curricular review and the expert concept map showed that stakeholders generally expect teachers to enhance their school knowledge as defined by the curricula. Furthermore, teachers are also expected to enhance their deeper school knowledge by learning how to connect concepts from their school knowledge to other concepts in particle physics and beyond. As such, professional development programmes that focus on enhancing teachers’ school knowledge and deeper school knowledge best support teachers in building relevant context in their instruction.
Overall, this doctoral research project reviewed the current state of high-school particle physics education and provided guidelines for future enhancements of the particle physics content in high-school student and teacher education. The outcomes of the project support further implementations of particle physics in high-school education both as explicit content and as context for other curricular topics. Furthermore, the mixed-methods approach and the outcomes of this research project lead to several implications for professional development programmes and science education research, that are discussed in the final chapters of this dissertation.
How do different reset protocols affect ergodicity of a diffusion process in single-particle-tracking experiments? We here address the problem of resetting of an arbitrary stochastic anomalous-diffusion process (ADP) from the general mathematical points of view and assess ergodicity of such reset ADPs for an arbitrary resetting protocol. The process of stochastic resetting describes the events of the instantaneous restart of a particle’s motion via randomly distributed returns to a preset initial position (or a set of those). The waiting times of such resetting events obey the Poissonian, Gamma, or more generic distributions with specified conditions regarding the existence of moments. Within these general approaches, we derive general analytical results and support them by computer simulations for the behavior of the reset mean-squared displacement (MSD), the new reset increment-MSD (iMSD), and the mean reset time-averaged MSD (TAMSD). For parental nonreset ADPs with the MSD(t)∝ tμ we find a generic behavior and a switch of the short-time growth of the reset iMSD and mean reset TAMSDs from ∝ _μ for subdiffusive to ∝ _1 for superdiffusive reset ADPs. The critical condition for a reset ADP that recovers its ergodicity is found to be more general than that for the nonequilibrium stationary state, where obviously the iMSD and the mean TAMSD are equal. The consideration of the new statistical quantifier, the iMSD—as compared to the standard MSD—restores the ergodicity of an arbitrary reset ADP in all situations when the μth moment of the waiting-time distribution of resetting events is finite. Potential applications of these new resetting results are, inter alia, in the area of biophysical and soft-matter systems.
How do different reset protocols affect ergodicity of a diffusion process in single-particle-tracking experiments? We here address the problem of resetting of an arbitrary stochastic anomalous-diffusion process (ADP) from the general mathematical points of view and assess ergodicity of such reset ADPs for an arbitrary resetting protocol. The process of stochastic resetting describes the events of the instantaneous restart of a particle’s motion via randomly distributed returns to a preset initial position (or a set of those). The waiting times of such resetting events obey the Poissonian, Gamma, or more generic distributions with specified conditions regarding the existence of moments. Within these general approaches, we derive general analytical results and support them by computer simulations for the behavior of the reset mean-squared displacement (MSD), the new reset increment-MSD (iMSD), and the mean reset time-averaged MSD (TAMSD). For parental nonreset ADPs with the MSD(t)∝ tμ we find a generic behavior and a switch of the short-time growth of the reset iMSD and mean reset TAMSDs from ∝ _μ for subdiffusive to ∝ _1 for superdiffusive reset ADPs. The critical condition for a reset ADP that recovers its ergodicity is found to be more general than that for the nonequilibrium stationary state, where obviously the iMSD and the mean TAMSD are equal. The consideration of the new statistical quantifier, the iMSD—as compared to the standard MSD—restores the ergodicity of an arbitrary reset ADP in all situations when the μth moment of the waiting-time distribution of resetting events is finite. Potential applications of these new resetting results are, inter alia, in the area of biophysical and soft-matter systems.
Arctic Amplification of climate warming is caused by various feedback processes in the atmosphere-ocean-ice system and yields the strongest temperature increase during winter in the Arctic North Atlantic region. In our study, we attempt to quantify the advective contribution to the observed atmospheric warming in the Svalbard area. Based on radiosonde measurements from Ny-Ålesund, a strong dependence of the tropospheric temperature on the synoptic flow direction is revealed. Using FLEXTRA backward trajectories, an increase of advection from the lower latitude Atlantic region towards Ny-Ålesund is found that is attributed to a change in atmospheric circulation patterns. We find that about one-quarter (0.45 K per decade) of the observed atmospheric winter near surface warming trend in the North Atlantic region of the Arctic (2 K per decade) is due to increased advection of warm and moist air from the lower latitude Atlantic region, affecting the entire troposphere.
Structural health monitoring activities are of primal importance for managing transport infrastructure, however most SHM methodologies are based on point-based sensors that have limitations in terms of their spatial positioning requirements, cost of development and measurement range. This paper describes the progress on the SENSKIN EC project whose objective is to develop a dielectric-elastomer and micro-electronics-based sensor, formed from a large highly extensible capacitance sensing membrane supported by advanced microelectronic circuitry, for monitoring transport infrastructure bridges. Such a sensor could provide spatial measurements of strain in excess of 10%. The actual sensor along with the data acquisition module, the communication module and power electronics are all integrated into a compact unit, the SENSKIN device, which is energy-efficient, requires simple signal processing and it is easy to install over various surface types. In terms of communication, SENSKIN devices interact with each other to form the SENSKIN system; a fully distributed and autonomous wireless sensor network that is able to self-monitor. SENSKIN system utilizes Delay-/Disruption-Tolerant Networking technologies to ensure that the strain measurements will be received by the base station even under extreme conditions where normal communications are disrupted. This paper describes the architecture of the SENSKIN system and the development and testing of the first SENSKIN prototype sensor, the data acquisition system, and the communication system.
Over the past decades, there has been a growing interest in ‘extreme events’ owing to the increasing threats that climate-related extremes such as floods, heatwaves, droughts, etc., pose to society. While extreme events have diverse definitions across various disciplines, ranging from earth science to neuroscience, they are characterized mainly as dynamic occurrences within a limited time frame that impedes the normal functioning of a system. Although extreme events are rare in occurrence, it has been found in various hydro-meteorological and physiological time series (e.g., river flows, temperatures, heartbeat intervals) that they may exhibit recurrent behavior, i.e., do not end the lifetime of the system. The aim of this thesis to develop some
sophisticated methods to study various properties of extreme events.
One of the main challenges in analyzing such extreme event-like time series is that they have large temporal gaps due to the paucity of the number of observations of extreme events. As a result, existing time series analysis tools are usually not helpful to decode the underlying
information. I use the edit distance (ED) method to analyze extreme event-like time series in their unaltered form. ED is a specific distance metric, mainly designed to measure the similarity/dissimilarity between point process-like data. I combine ED with recurrence plot techniques to identify the recurrence property of flood events in the Mississippi River in the United States. I also use recurrence quantification analysis to show the deterministic properties
and serial dependency in flood events.
After that, I use this non-linear similarity measure (ED) to compute the pairwise dependency in extreme precipitation event series. I incorporate the similarity measure within the framework of complex network theory to study the collective behavior of climate extremes. Under this architecture, the nodes are defined by the spatial grid points of the given spatio-temporal climate dataset. Each node is associated with a time series corresponding to the temporal evolution
of the climate observation at that grid point. Finally, the network links are functions of the pairwise statistical interdependence between the nodes. Various network measures, such as degree, betweenness centrality, clustering coefficient, etc., can be used to quantify the network’s topology. We apply the methodology mentioned above to study the spatio-temporal coherence pattern of extreme rainfall events in the United States and the Ganga River basin, which reveals its relation to various climate processes and the orography of the region.
The identification of precursors associated with the occurrence of extreme events in the near future is extremely important to prepare the masses for an upcoming disaster and mitigate the potential risks associated with such events. Under this motivation, I propose an in-data prediction recipe for predicting the data structures that typically occur prior to extreme events using the Echo state network, a type of Recurrent Neural Network which is a part of the reservoir
computing framework. However, unlike previous works that identify precursory structures in the same variable in which extreme events are manifested (active variable), I try to predict these structures by using data from another dynamic variable (passive variable) which does not show large excursions from the nominal condition but carries imprints of these extreme events. Furthermore, my results demonstrate that the quality of prediction depends on the magnitude
of events, i.e., the higher the magnitude of the extreme, the better is its predictability skill. I show quantitatively that this is because the input signals collectively form a more coherent pattern for an extreme event of higher magnitude, which enhances the efficiency of the machine to predict the forthcoming extreme events.
There is a large variety of goals instructors have for laboratory courses, with different courses focusing on different subsets of goals. An often implicit, but crucial, goal is to develop students’ attitudes, views, and expectations about experimental physics to align with practicing experimental physicists. The assessment of laboratory courses upon this one dimension of learning has been intensively studied in U.S. institutions using the Colorado Learning Attitudes about Science Survey for Experimental Physics (E-CLASS). However, there is no such an instrument available to use in Germany, and the influence of laboratory courses on students views about the nature of experimental physics is still unexplored at German-speaking institutions. Motivated by the lack of an assessment tool to investigate this goal in laboratory courses at German-speaking institutions, we present a translated version of the E-CLASS adapted to the context at German-speaking institutions. We call the German version of the E-CLASS, the GE-CLASS. We describe the translation process and the creation of an automated web-based system for instructors to assess their laboratory courses. We also present first results using GE-CLASS obtained at the University of Potsdam. A first comparison between E-CLASS and GE-CLASS results shows clear differences between University of Potsdam and U.S. students’ views and beliefs about experimental physics.
There is a large variety of goals instructors have for laboratory courses, with different courses focusing on different subsets of goals. An often implicit, but crucial, goal is to develop students’ attitudes, views, and expectations about experimental physics to align with practicing experimental physicists. The assessment of laboratory courses upon this one dimension of learning has been intensively studied in U.S. institutions using the Colorado Learning Attitudes about Science Survey for Experimental Physics (E-CLASS). However, there is no such an instrument available to use in Germany, and the influence of laboratory courses on students views about the nature of experimental physics is still unexplored at German-speaking institutions. Motivated by the lack of an assessment tool to investigate this goal in laboratory courses at German-speaking institutions, we present a translated version of the E-CLASS adapted to the context at German-speaking institutions. We call the German version of the E-CLASS, the GE-CLASS. We describe the translation process and the creation of an automated web-based system for instructors to assess their laboratory courses. We also present first results using GE-CLASS obtained at the University of Potsdam. A first comparison between E-CLASS and GE-CLASS results shows clear differences between University of Potsdam and U.S. students’ views and beliefs about experimental physics.
We introduce and study a Lévy walk (LW) model of particle spreading with a finite propagation speed combined with soft resets, stochastically occurring periods in which an harmonic external potential is switched on and forces the particle towards a specific position. Soft resets avoid instantaneous relocation of particles that in certain physical settings may be considered unphysical. Moreover, soft resets do not have a specific resetting point but lead the particle towards a resetting point by a restoring Hookean force. Depending on the exact choice for the LW waiting time density and the probability density of the periods when the harmonic potential is switched on, we demonstrate a rich emerging response behaviour including ballistic motion and superdiffusion. When the confinement periods of the soft-reset events are dominant, we observe a particle localisation with an associated non-equilibrium steady state. In this case the stationary particle probability density function turns out to acquire multimodal states. Our derivations are based on Markov chain ideas and LWs with multiple internal states, an approach that may be useful and flexible for the investigation of other generalised random walks with soft and hard resets. The spreading efficiency of soft-rest LWs is characterised by the first-passage time statistic.
We introduce and study a Lévy walk (LW) model of particle spreading with a finite propagation speed combined with soft resets, stochastically occurring periods in which an harmonic external potential is switched on and forces the particle towards a specific position. Soft resets avoid instantaneous relocation of particles that in certain physical settings may be considered unphysical. Moreover, soft resets do not have a specific resetting point but lead the particle towards a resetting point by a restoring Hookean force. Depending on the exact choice for the LW waiting time density and the probability density of the periods when the harmonic potential is switched on, we demonstrate a rich emerging response behaviour including ballistic motion and superdiffusion. When the confinement periods of the soft-reset events are dominant, we observe a particle localisation with an associated non-equilibrium steady state. In this case the stationary particle probability density function turns out to acquire multimodal states. Our derivations are based on Markov chain ideas and LWs with multiple internal states, an approach that may be useful and flexible for the investigation of other generalised random walks with soft and hard resets. The spreading efficiency of soft-rest LWs is characterised by the first-passage time statistic.
Over the last decades, the percentage of the age group choosing to pursue university studies has increased significantly across the world. At the same time, there are university teachers who believe that the standards have fallen. There is little research on whether students nowadays demonstrate knowledge or abilities similar to that of the preceding cohorts. However, in times of educational expansion, empirical evidence on student test performance is extremely helpful in evaluating how well educational systems cope with the increasing numbers of students. In this study, we compared a sample of 2322 physics freshmen from 2013 with another sample of 2718 physics freshmen from 1978 at universities in Germany with regard to their physics knowledge based on their results in the same entrance test. Previous results on mathematics knowledge and abilities in the same sample of students indicated that there was no severe decline in their average achievement. This paper compares the physics knowledge of the same two samples of students. Contrary to their mathematics results, their physics results showed a substantial decrease in physics knowledge as measured by the test.
The maximum entropy method is used to predict flows on water distribution networks. This analysis extends the water distribution network formulation of Waldrip et al. (2016) Journal of Hydraulic Engineering (ASCE), by the use of a continuous relative entropy defined on a reduced parameter set. This reduction in the parameters that the entropy is defined over ensures consistency between different representations of the same network. The performance of the proposed reduced parameter method is demonstrated with a one-loop network case study.
The maximum entropy method is used to derive an alternative gravity model for a transport network. The proposed method builds on previous methods which assign the discrete value of a maximum entropy distribution to equal the traffic flow rate. The proposed method however, uses a distribution to represent each flow rate. The proposed method is shown to be able to handle uncertainty in a more elegant way and give similar results to traditional methods. It is able to incorporate more of the observed data through the entropy function, prior distribution and integration limits potentially allowing better inferences to be made.
Putting order into PM6:Y6 solar cells to reduce the langevin recombination in 400 nm thick junction
(2020)
Increasing the active layer thickness without sacrificing the power conversion efficiency (PCE) is one of the great challenges faced by organic solar cells (OSCs) for commercialization. Recently, PM6:Y6 as an OSC based on a non-fullerene acceptor (NFA) has excited the community because of its PCE reaching as high as 15.9%; however, by increasing the thickness, the PCE drops due to the reduction of the fill factor (FF). This drop is attributed to change in mobility ratio with increasing thickness. Furthermore, this work demonstrates that by regulating the packing and the crystallinity of the donor and the acceptor, through volumetric content of chloronaphthalene (CN) as a solvent additive, one can improve the FF of a thick PM6:Y6 device (approximate to 400 nm) from 58% to 68% (PCE enhances from 12.2% to 14.4%). The data indicate that the origin of this enhancement is the reduction of the structural and energetic disorders in the thick device with 1.5% CN compared with 0.5% CN. This correlates with improved electron and hole mobilities and a 50% suppressed bimolecular recombination, such that the non-Langevin reduction factor is 180 times. This work reveals the role of disorder on the charge extraction and bimolecular recombination of NFA-based OSCs.
We develop a simple two-zone interpretation of the broadband baseline Crab nebula spectrum between 10(-5) eV and similar to 100 TeV by using two distinct log-parabola energetic electrons distributions. We determine analytically the very-high energy photon spectrum as originated by inverse-Compton scattering of the far-infrared soft ambient photons within the nebula off a first population of electrons energized at the nebula termination shock. The broad and flat 200 GeV peak jointly observed by Fermi/LAT and MAGIC is naturally reproduced. The synchrotron radiation from a second energetic electron population explains the spectrum from the radio range up to similar to 10 keV. We infer from observations the energy dependence of the microscopic probability of remaining in proximity of the shock of the accelerating electrons.
Acceleration of the flow of ice drives mass losses in both the Antarctic and the Greenland Ice Sheet. The projections of possible future sea-level rise rely on numerical ice-sheet models, which solve the physics of ice flow, melt, and calving. While major advancements have been made by the ice-sheet modeling community in addressing several of the related uncertainties, the flow law, which is at the center of most process-based ice-sheet models, is not in the focus of the current scientific debate. However, recent studies show that the flow law parameters are highly uncertain and might be different from the widely accepted standard values. Here, we use an idealized flow-line setup to investigate how these uncertainties in the flow law translate into uncertainties in flow-driven mass loss. In order to disentangle the effect of future warming on the ice flow from other effects, we perform a suite of experiments with the Parallel Ice Sheet Model (PISM), deliberately excluding changes in the surface mass balance. We find that changes in the flow parameters within the observed range can lead up to a doubling of the flow-driven mass loss within the first centuries of warming, compared to standard parameters. The spread of ice loss due to the uncertainty in flow parameters is on the same order of magnitude as the increase in mass loss due to surface warming. While this study focuses on an idealized flow-line geometry, it is likely that this uncertainty carries over to realistic three-dimensional simulations of Greenland and Antarctica.
Contactless pressure monitoring based on Forster resonance energy transfer between donor/acceptor pairs immobilized within elastomers is demonstrated. The donor/acceptor energy transfer is employed by dispersing terbium(III) tris[(2-hydroxybenzoyl)-2-aminoethyl] amine complex (LLC, donor) and CdSe/ZnS quantum dots (QD655, acceptor) in styrene-ethylene/buthylene-styrene (SEBS) and poly(dimethylsiloxane) (PDMS). The continuous monitoring of QD luminescence showed a reversible intensity change as the pressure signal is alternated between two stable states indicating a pressure sensitivity of 6350 cps kPa(-1). Time-resolved measurements show the pressure impact on the FRET signal due to an increase of decay time (270 ms up to 420 ms) for the donor signal and parallel drop of decay time (170 mu s to 155 mu s) for the acceptor signal as the net pressure applied. The LLC/QD655 sensors enable a contactless readout as well as space resolved monitoring to enable miniaturization towards smaller integrated stretchable opto-electronics. Elastic FRET sensors can potentially lead to developing profitable analysis systems capable to outdo conventional wired electronic systems (inductive, capacitive, ultrasonic and photoelectric sensors) especially for point-of-care diagnostics, biological monitoring required for wearable electronics.
Stellar interferometry is the only method in observational astronomy for obtaining the highest resolution images of astronomical targets. This method is based on combining light from two or more separate telescopes to obtain the complex visibility that contains information about the brightness distribution of an astronomical source. The applications of stellar interferometry have made significant contributions in the exciting research areas of astronomy and astrophysics, including the precise measurement of stellar diameters, imaging of stellar surfaces, observations of circumstellar disks around young stellar objects, predictions of Einstein's General relativity at the galactic center, and the direct search for exoplanets to name a few. One important related technique is aperture masking interferometry, pioneered in the 1960s, which uses a mask with holes at the re-imaged pupil of the telescope, where the light from the holes is combined using the principle of stellar interferometry. While this can increase the resolution, it comes with a disadvantage. Due to the finite size of the holes, the majority of the starlight (typically > 80 %) is lost at the mask, thus limiting the signal-to-noise ratio (SNR) of the output images. This restriction of aperture masking only to the bright targets can be avoided using pupil remapping interferometry - a technique combining aperture masking interferometry and advances in photonic technologies using single-mode fibers. Due to the inherent spatial filtering properties, the single-mode fibers can be placed at the focal plane of the re-imaged pupil, allowing the utilization of the whole pupil of the telescope to produce a high-dynamic range along with high-resolution images. Thus, pupil remapping interferometry is one of the most promising application areas in the emerging field of astrophotonics.
At the heart of an interferometric facility, a beam combiner exists whose primary function is to combine light to obtain high-contrast fringes. A beam combiner can be as simple as a beam splitter or an anamorphic lens to combine light from 2 apertures (or telescopes) or as complex as a cascade of beam splitters and lenses to combine light for > 2 apertures. However, with the field of astrophotonics, interferometric facilities across the globe are increasingly employing some form of photonics technologies by using single-mode fibers or integrated optics (IO) chips as an efficient way to combine light from several apertures. The state-of-the-art instrument - GRAVITY at the very large telescope interferometer (VLTI) facility uses an IO-based beam combiner device reaching visibilities accuracy of better than < 0.25 %, which is roughly 50× as precise as a few decades back.
Therefore, in the context of IO-based components for applications in stellar interferometry, this Thesis describes the work towards the development of a 3-dimensional (3-D) IO device - a monolithic astrophotonics component containing both the pupil remappers and a discrete beam combiner (DBC). In this work, the pupil remappers are 3-D single-mode waveguides in a glass substrate collecting light from the re-imaged pupil of the telescope and feeding the light to a DBC, where the combination takes place. The DBC is a lattice of 3-D single-mode waveguides, which interact through evanescent coupling. By observing the output power of single-mode waveguides of the DBC, the visibilities are retrieved by using a calibrated transfer matrix ({U}) of the device.
The feasibility of the DBC in retrieving the visibilities theoretically and experimentally had already been studied in the literature but was only limited to laboratory tests with monochromatic light sources. Thus, a part of this work extends these studies by investigating the response of a 4-input DBC to a broad-band light source. Hence, the objectives of this Thesis are the following: 1) Design an IO device for broad-band light operation such that accurate and precise visibilities could be retrieved experimentally at astronomical H-band (1.5-1.65 μm), and 2) Validation of the DBC as a possible beam combination scheme for future interferometric facilities through on-sky testing at the William Herschel Telescope (WHT).
This work consisted of designing three different 3-D IO devices. One of the popular methods for fabricating 3-D photonic components in a glass substrate is ultra-fast laser inscription (ULI). Thus, manufacturing of the designed devices was outsourced to Politecnico di Milano as part of an iterative fabrication process using their state-of-the-art ULI facility. The devices were then characterized using a 2-beam Michelson interferometric setup obtaining both the monochromatic and polychromatic visibilities. The retrieved visibilities for all devices were in good agreement as predicted by the simulation results of a DBC, which confirms both the repeatability of the ULI process and the stability of the Michelson setup, thus fulfilling the first objective.
The best-performing device was then selected for the pupil-remapping of the WHT using a different optical setup consisting of a deformable mirror and a microlens array. The device successfully collected stellar photons from Vega and Altair. The visibilities were retrieved using a previously calibrated {U} but showed significant deviations from the expected results. Based on the analysis of comparable simulations, it was found that such deviations were primarily caused by the limited SNR of the stellar observations, thus constituting a first step towards the fulfillment of the second objective.
Understanding the changes that follow UV-excitation in thionucleobases is of great importance for the study of light-induced DNA lesions and, in a broader context, for their applications in medicine and biochemistry. Their ultrafast photophysical reactions can alter the chemical structure of DNA - leading to damages to the genetic code - as proven by the increased skin cancer risk observed for patients treated with thiouracil for its immunosuppressant properties.
In this thesis, I present four research papers that result from an investigation of the ultrafast dynamics of 2-thiouracil by means of ultrafast x-ray probing combined with electron spectroscopy. A molecular jet in the gas phase is excited with a uv pulse and then ionized with x-ray radiation from a Free Electron Laser. The kinetic energy of the emitted electrons is measured in a magnetic bottle spectrometer. The spectra of the measured photo and Auger electrons are used to derive a picture of the changes in the geometrical and electronic configurations. The results allow us to look at the dynamical processes from a new perspective, thanks to the element- and site- sensitivity of x-rays. The custom-built URSA-PQ apparatus used in the experiment is described. It has been commissioned and used at the FL24 beamline of the FLASH2 FEL, showing an electron kinetic energy resolution of ∆E/E ~ 40 and a pump-probe timing resolution of 190 f s. X-ray only photoelectron and Auger spectra of 2-thiouracil are extracted from the data and used as reference. Photoelectrons following the formation a 2p core hole are identified, as well as resonant and non-resonant Auger electrons. At the L 1 edge, Coster-Kronig decay is observed from the 2s core hole.
The UV-induced changes in the 2p photoline allow the study the electronic-state dynamics. With the use of an Excited-State Chemical Shift (ESCS) model, we observe a ultrafast ground-state relaxation within 250 f s. Furthermore, an oscillation with a 250 f s period is observed in the 2p binding energy, showing a coherent population exchange between electronic states. Auger electrons from the 2p core hole are analyzed and used to deduce a ultrafast C −S bond expansion on a sub 100 f s scale. A simple Coulomb-model, coupled to quantum chemical calculations, can be used to infer the geometrical changes in the molecular structure.
Organic solar cells offer an efficient and cost-effective alternative for solar energy harvesting. This type of photovoltaic cell typically consists of a blend of two organic semiconductors, an electron donating polymer and a low molecular weight electron acceptor to create what is known as a bulk heterojunction (BHJ) morphology. Traditionally, fullerene-based acceptors have been used for this purpose. In recent years, the development of new acceptor molecules, so-called non-fullerene acceptors (NFA), has breathed new life into organic solar cell research, enabling record efficiencies close to 19%. Today, NFA-based solar cells are approaching their inorganic competitors in terms of photocurrent generation, but lag in terms of open circuit voltage (V_OC). Interestingly, the V_OC of these cells benefits from small offsets of orbital energies at the donor-NFA interface, although previous knowledge considered large energy offsets to be critical for efficient charge carrier generation. In addition, there are several other electronic and structural features that distinguish NFAs from fullerenes.
My thesis focuses on understanding the interplay between the unique attributes of NFAs and the physical processes occurring in solar cells. By combining various experimental techniques with drift-diffusion simulations, the generation of free charge carriers as well as their recombination in state-of-the-art NFA-based solar cells is characterized. For this purpose, solar cells based on the donor polymer PM6 and the NFA Y6 have been investigated. The generation of free charge carriers in PM6:Y6 is efficient and independent of electric field and excitation energy. Temperature-dependent measurements show a very low activation energy for photocurrent generation (about 6 meV), indicating barrierless charge carrier separation. Theoretical modeling suggests that Y6 molecules have large quadrupole moments, leading to band bending at the donor-acceptor interface and thereby reducing the electrostatic Coulomb dissociation barrier. In this regard, this work identifies poor extraction of free charges in competition with nongeminate recombination as a dominant loss process in PM6:Y6 devices. Subsequently, the spectral characteristics of PM6:Y6 solar cells were investigated with respect to the dominant process of charge carrier recombination. It was found that the photon emission under open-circuit conditions can be almost entirely attributed to the occupation and recombination of Y6 singlet excitons. Nevertheless, the recombination pathway via the singlet state contributes only 1% to the total recombination, which is dominated by the charge transfer state (CT-state) at the donor-acceptor interface. Further V_OC gains can therefore only be expected if the density and/or recombination rate of these CT-states can be significantly reduced. Finally, the role of energetic disorder in NFA solar cells is investigated by comparing Y6 with a structurally related derivative, named N4. Layer morphology studies combined with temperature-dependent charge transport experiments show significantly lower structural and energetic disorder in the case of the PM6:Y6 blend. For both PM6:Y6 and PM6:N4, disorder determines the maximum achievable V_OC, with PM6:Y6 benefiting from improved morphological order. Overall, the obtained findings point to avenues for the realization of NFA-based solar cells with even smaller V_OC losses. Further reduction of nongeminate recombination and energetic disorder should result in organic solar cells with efficiencies above 20% in the future.
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.
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.
Weather extremes pose a persistent threat to society on multiple layers. Besides an average of ~37,000 deaths per year, climate-related disasters cause destroyed properties and impaired economic activities, eroding people's livelihoods and prosperity. While global temperature rises – caused by anthropogenic greenhouse gas emissions – the direct impacts of climatic extreme events increase and will further intensify without proper adaptation measures. Additionally, weather extremes do not only have local direct effects. Resulting economic repercussions can propagate either upstream or downstream along trade chains causing indirect effects. One approach to analyze these indirect effects within the complex global supply network is the agent-based model Acclimate. Using and extending this loss-propagation model, I focus in this thesis on three aspects of the relation between weather extremes and economic repercussions.
First, extreme weather events cause direct impacts on local economic performance. I compute daily local direct output loss time series of heat stress, river floods, tropical cyclones, and their consecutive occurrence using (near-future) climate projection ensembles. These regional impacts are estimated based on physical drivers and local productivity distribution. Direct effects of the aforementioned disaster categories are widely heterogeneous concerning regional and temporal distribution. As well, their intensity changes differently under future warming. Focusing on the hurricane-impacted capital, I find that long-term growth losses increase with higher heterogeneity of a shock ensemble.
Second, repercussions are sectorally and regionally distributed via economic ripples within the trading network, causing higher-order effects. I use Acclimate to identify three phases of those economic ripples. Furthermore, I compute indirect impacts and analyze overall regional and global production and consumption changes. Regarding heat stress, global consumer losses double while direct output losses increase by a factor 1.5 between 2000 – 2039. In my research I identify the effect of economic ripple resonance and introduce it to climate impact research. This effect occurs if economic ripples of consecutive disasters overlap, which increases economic responses such as an enhancement of consumption losses. These loss enhancements can even be more amplified with increasing direct output losses, e.g. caused by climate crises.
Transport disruptions can cause economic repercussions as well. For this, I extend the model Acclimate with a geographical transportation route and expand the decision horizon of economic agents. Using this, I show that policy-induced sudden trade restrictions (e.g. a no-deal Brexit) can significantly reduce the longer-term economic prosperity of affected regions. Analyses of transportation disruptions in typhoon seasons indicate that severely affected regions must reduce production as demand falls during a storm. Substituting suppliers may compensate for fluctuations at the beginning of the storm, which fails for prolonged disruptions.
Third, possible coping mechanisms and adaptation strategies arise from direct and indirect economic responses to weather extremes. Analyzing annual trade changes due to typhoon-induced transport disruptions depict that overall exports rise. This trade resilience increases with higher network node diversification. Further, my research shows that a basic insurance scheme may diminish hurricane-induced long-term growth losses due to faster reconstruction in disasters aftermaths. I find that insurance coverage could be an economically reasonable coping scheme towards higher losses caused by the climate crisis. Indirect effects within the global economic network from weather extremes indicate further adaptation possibilities. For one, diversifying linkages reduce the hazard of sharp price increases. Next to this, close economic interconnections with regions that do not share the same extreme weather season can be economically beneficial in the medium run. Furthermore, economic ripple resonance effects should be considered while computing costs. Overall, an increase in local adaptation measures reduces economic ripples within the trade network and possible losses elsewhere. In conclusion, adaptation measures are necessary and potential present, but it seems rather not possible to avoid all direct or indirect losses.
As I show in this thesis, dynamical modeling gives valuable insights into how direct and indirect economic impacts arise from different categories of weather extremes. Further, it highlights the importance of resolving individual extremes and reflecting amplifying effects caused by incomplete recovery or consecutive disasters.
It is found that the differential cross section of photon-photon scattering is a function of the degree of polarization entanglement of the two-photon state. A reduced general expression for the differential cross section of photon-photon scattering is derived by applying simple symmetry arguments. An explicit expression is obtained for the example of photon-photon scattering due to virtual electron-positron pairs in quantum electrodynamics. It is shown how the effect in this explicit example can be explained as an effect of quantum interference and that it fits with the idea of distance-dependent forces.
In this thesis, the dependencies of charge localization and itinerance in two classes of aromatic molecules are accessed: pyridones and porphyrins. The focus lies on the effects of isomerism, complexation, solvation, and optical excitation, which are concomitant with different crucial biological applications of specific members of these groups of compounds. Several porphyrins play key roles in the metabolism of plants and animals. The nucleobases, which store the genetic information in the DNA and RNA are pyridone derivatives. Additionally, a number of vitamins are based on these two groups of substances.
This thesis aims to answer the question of how the electronic structure of these classes of molecules is modified, enabling the versatile natural functionality. The resulting insights into the effect of constitutional and external factors are expected to facilitate the design of new processes for medicine, light-harvesting, catalysis, and environmental remediation.
The common denominator of pyridones and porphyrins is their aromatic character. As aromaticity was an early-on topic in chemical physics, the overview of relevant theoretical models in this work also mirrors the development of this scientific field in the 20th century. The spectroscopic investigation of these compounds has long been centered on their global, optical transition between frontier orbitals.
The utilization and advancement of X-ray spectroscopic methods characterizing the local electronic structure of molecular samples form the core of this thesis. The element selectivity of the near-edge X-ray absorption fine structure (NEXAFS) is employed to probe the unoccupied density of states at the nitrogen site, which is key for the chemical reactivity of pyridones and porphyrins. The results contribute to the growing database of NEXAFS features and their interpretation, e.g., by advancing the debate on the porphyrin N K-edge through systematic experimental and theoretical arguments. Further, a state-of-the-art laser pump – NEXAFS probe scheme is used to characterize the relaxation pathway of a photoexcited porphyrin on the atomic level.
Resonant inelastic X-ray scattering (RIXS) provides complementary results by accessing the highest occupied valence levels including symmetry information. It is shown that RIXS is an effective experimental tool to gain detailed information on charge densities of individual species in tautomeric mixtures. Additionally, the hRIXS and METRIXS high-resolution RIXS spectrometers, which have been in part commissioned in the course of this thesis, will gain access to the ultra-fast and thermal chemistry of pyridones, porphyrins, and many other compounds.
With respect to both classes of bio-inspired aromatic molecules, this thesis establishes that even though pyridones and porphyrins differ largely by their optical absorption bands and hydrogen bonding abilities, they all share a global stabilization of local constitutional changes and relevant external perturbation. It is because of this wide-ranging response that pyridones and porphyrins can be applied in a manifold of biological and technical processes.
We report on light sensitive microgel particles that can change their volume reversibly in response to illumination with light of different wavelengths. To make the anionic microgels photosensitive we add surfactants with a positively charged polyamine head group and an azobenzene containing tail. Upon illumination, azobenzene undergoes a reversible photo-isomerization reaction from a trans- to a cis-state accompanied by a change in the hydrophobicity of the surfactant. Depending on the isomerization state, the surfactant molecules are either accommodated within the microgel (trans- state) resulting in its shrinkage or desorbed back into water (cis-isomer) letting the microgel swell. We have studied three surfactants differing in the number of amino groups, so that the number of charges of the surfactant head varies between 1 and 3. We have found experimentally and theoretically that the surfactant concentration needed for microgel compaction increases with decreasing number of charges of the head group. Utilization of polyamine azobenzene containing surfactants for the light triggered remote control of the microgel size opens up a possibility for applications of light responsive microgels as drug carriers in biology and medicine.
We investigate both analytically and by computer simulations the ensemble- and time-averaged, nonergodic, and aging properties of massive particles diffusing in a medium with a time dependent diffusivity. We call this stochastic diffusion process the (aging) underdamped scaled Brownian motion (UDSBM). We demonstrate how the mean squared displacement (MSD) and the time-averaged MSD of UDSBM are affected by the inertial term in the Langevin equation, both at short, intermediate, and even long diffusion times. In particular, we quantify the ballistic regime for the MSD and the time-averaged MSD as well as the spread of individual time-averaged MSD trajectories. One of the main effects we observe is that, both for the MSD and the time-averaged MSD, for superdiffusive UDSBM the ballistic regime is much shorter than for ordinary Brownian motion. In contrast, for subdiffusive UDSBM, the ballistic region extends to much longer diffusion times. Therefore, particular care needs to be taken under what conditions the overdamped limit indeed provides a correct description, even in the long time limit. We also analyze to what extent ergodicity in the Boltzmann-Khinchin sense in this nonstationary system is broken, both for subdiffusive and superdiffusive UDSBM. Finally, the limiting case of ultraslow UDSBM is considered, with a mixed logarithmic and power-law dependence of the ensemble-and time-averaged MSDs of the particles. In the limit of strong aging, remarkably, the ordinary UDSBM and the ultraslow UDSBM behave similarly in the short time ballistic limit. The approaches developed here open ways for considering other stochastic processes under physically important conditions when a finite particle mass and aging in the system cannot be neglected.
We study a theoretical model for the toxin-antitoxin (hok/sok) mechanism for plasmid maintenance in bacteria. Toxin-antitoxin systems enforce the maintenance of a plasmid through post-segregational killing of cells that have lost the plasmid. Key to their function is the tight regulation of expression of a protein toxin by an sRNA antitoxin. Here, we focus on the nonlinear nature of the regulatory circuit dynamics of the toxin-antitoxin mechanism. The mechanism relies on a transient increase in protein concentration rather than on the steady state of the genetic circuit. Through a systematic analysis of the parameter dependence of this transient increase, we confirm some known design features of this system and identify new ones: for an efficient toxin-antitoxin mechanism, the synthesis rate of the toxin’s mRNA template should be lower that of the sRNA antitoxin, the mRNA template should be more stable than the sRNA antitoxin, and the mRNA-sRNA complex should be more stable than the sRNA antitoxin. Moreover, a short half-life of the protein toxin is also beneficial to the function of the toxin-antitoxin system. In addition, we study a therapeutic scenario in which a competitor mRNA is introduced to sequester the sRNA antitoxin, causing the toxic protein to be expressed.
The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.
Effects of strain rate and surface cracks on the mechanical behaviour of Balmoral Red granite
(2017)
This work presents a systematic study on the effects of strain rate and surface cracks on the mechanical properties and behaviour of Balmoral Red granite. The tensile behaviour of the rock was studied at low and high strain rates using Brazilian disc samples. Heat shocks were used to produce samples with different amounts of surface cracks. The surface crack patterns were analysed using optical microscopy, and the complexity of the patterns was quantified by calculating the fractal dimensions of the patterns. The strength of the rock clearly drops as a function of increasing fractal dimensions in the studied strain rate range. However, the dynamic strength of the rock drops significantly faster than the quasi-static strength, and, because of this, also the strain rate sensitivity of the rock decreases with increasing fractal dimensions. This can be explained by the fracture behaviour and fragmentation during the dynamic loading, which is more strongly affected by the heat shock than the fragmentation at low strain rates.
Can the statistical properties of single-electron transfer events be correctly predicted within a common equilibrium ensemble description? This fundamental in nanoworld question of ergodic behavior is scrutinized within a very basic semi-classical curve-crossing problem. It is shown that in the limit of non-adiabatic electron transfer (weak tunneling) well-described by the Marcus-Levich-Dogonadze (MLD) rate the answer is yes. However, in the limit of the so-called solvent-controlled adiabatic electron transfer, a profound breaking of ergodicity occurs. Namely, a common description based on the ensemble reduced density matrix with an initial equilibrium distribution of the reaction coordinate is not able to reproduce the statistics of single-trajectory events in this seemingly classical regime. For sufficiently large activation barriers, the ensemble survival probability in a state remains nearly exponential with the inverse rate given by the sum of the adiabatic curve crossing (Kramers) time and the inverse MLD rate. In contrast, near to the adiabatic regime, the single-electron survival probability is clearly non-exponential, even though it possesses an exponential tail which agrees well with the ensemble description. Initially, it is well described by a Mittag-Leffler distribution with a fractional rate. Paradoxically, the mean transfer time in this classical on the ensemble level regime is well described by the inverse of the nonadiabatic quantum tunneling rate on a single particle level. An analytical theory is developed which perfectly agrees with stochastic simulations and explains our findings.
We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L-3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. We propose that 2p3d RIXS at the Ni L-3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations.
Absorption Tails of Donor
(2017)
In disordered organic semiconductors, the transfer of a rather localized charge carrier from one site to another triggers a deformation of the molecular structure quantified by the intramolecular relaxation energy. A similar structural relaxation occurs upon population of intermolecular charge-transfer (CT) states formed at organic electron donor (D)-acceptor (A) interfaces. Weak CT absorption bands for D A complexes occur at photon energies below the optical gaps of both the donors and the C-60 acceptor as a result of optical transitions from the neutral ground state to the ionic CT state. In this work, we show that temperature-activated intramolecular vibrations of the ground state play a major role in determining the line shape of such CT absorption bands. This allows us to extract values for the relaxation energy related to the geometry change from neutral to ionic CT complexes. Experimental values for the relaxation energies of 20 D:C-60 CT complexes correlate with values calculated within density functional theory. These results provide an experimental method for determining the polaron relaxation energy in solid-state organic D-A blends and show the importance of a reduced relaxation energy, which we introduce to characterize thermally activated CT processes.
Nanoscale Thermal Transfer
(2017)
We study the hierarchical stellar structures in a similar to 1.5 deg(2) area covering the 30. Doradus-N158-N159-N160 starforming complex with the VISTA Survey of. Magellanic Clouds. Based on the young upper main-sequence stars, we find that the surface densities cover a wide range of values, from log(Sigma.pc(2))less than or similar to -2.0 to log(Sigma. pc(2)) greater than or similar to 0.0. Their distributions are highly non-uniform, showing groups that frequently have subgroups inside. The sizes of the stellar groups do not exhibit characteristic values, and range continuously from several parsecs to more than 100. pc; the cumulative size distribution can be well described by a single power law, with the power-law index indicating a projected fractal dimension D-2 = 1.6 +/- 0.3. We suggest that the phenomena revealed here support a scenario of hierarchical star formation. Comparisons with other star-forming regions and galaxies are also discussed.
Organic light-emitting transistors (OLETs) offer a huge potential for the design of highly integrated multifunctional optoelectronic systems and of intense nano scale light sources, such as the long-searched-for electrically pumped organic laser. In order to fulfill these promises, the efficiency and brightness of the current state-of-the-art devices have to be increased significantly. The dominating quenching process limiting the external quantum efficiency in OLETs is charge-exciton interaction. A comprehensive understanding of this quenching process is therefore of paramount importance. The present article reports a systematic investigation of charge-exciton interaction in organic transistors employing time resolved photoluminescence electro-modulation (PLEM) spectroscopy on the picosecond time scale. The results show that the injected charges reduce the exciton radiative recombination in two ways: (i) charges may prevent the generation of excitons and (ii) charges activate a further nonradiative channel for the exciton decay. Moreover, the transient PLEM measurements clearly reveal that not only trapped charges, as already reported in literature, but rather the entire injected charge density contributes to the quenching of the exciton population.
Context:
Massive binaries play a crucial role in the Universe. Knowing the distributions of their orbital parameters is important for a wide range of topics from stellar feedback to binary evolution channels and from the distribution of supernova types to gravitational wave progenitors, yet no direct measurements exist outside the Milky Way.
Aims:
The Tarantula Massive Binary Monitoring project was designed to help fill this gap by obtaining multi-epoch radial velocity (RV) monitoring of 102 massive binaries in the 30 Doradus region.
Methods:
In this paper we analyze 32 FLAMES/GIRAFFE observations of 93 O- and 7 B-type binaries. We performed a Fourier analysis and obtained orbital solutions for 82 systems: 51 single-lined (SB1) and 31 double-lined (SB2) spectroscopic binaries.
Results:
Overall, the binary fraction and orbital properties across the 30 Doradus region are found to be similar to existing Galactic samples. This indicates that within these domains environmental effects are of second order in shaping the properties of massive binary systems. A small difference is found in the distribution of orbital periods, which is slightly flatter (in log space) in 30 Doradus than in the Galaxy, although this may be compatible within error estimates and differences in the fitting methodology. Also, orbital periods in 30 Doradus can be as short as 1.1 d, somewhat shorter than seen in Galactic samples. Equal mass binaries (q> 0.95) in 30 Doradus are all found outside NGC 2070, the central association that surrounds R136a, the very young and massive cluster at 30 Doradus’s core. Most of the differences, albeit small, are compatible with expectations from binary evolution. One outstanding exception, however, is the fact that earlier spectral types (O2–O7) tend to have shorter orbital periods than later spectral types (O9.2–O9.7).
Conclusions:
Our results point to a relative universality of the incidence rate of massive binaries and their orbital properties in the metallicity range from solar (Z⊙) to about half solar. This provides the first direct constraints on massive binary properties in massive star-forming galaxies at the Universe’s peak of star formation at redshifts z ~ 1 to 2 which are estimated to have Z ~ 0.5 Z⊙.
We present the first SB2 orbital solution and disentanglement of the massive Wolf-Rayet binary R145 (P = 159 d) located in the Large Magellanic Cloud. The primary was claimed to have a stellar mass greater than 300 M-circle dot, making it a candidate for being the most massive star known to date. While the primary is a known late-type, H-rich Wolf-Rayet star (WN6h), the secondary has so far not been unambiguously detected. Using moderate-resolution spectra, we are able to derive accurate radial velocities for both components. By performing simultaneous orbital and polarimetric analyses, we derive the complete set of orbital parameters, including the inclination. The spectra are disentangled and spectroscopically analyzed, and an analysis of the wind-wind collision zone is conducted. The disentangled spectra and our models are consistent with a WN6h type for the primary and suggest that the secondary is an O3.5 If*/WN7 type star. We derive a high eccentricity of e = 0 : 78 and minimum masses of M-1 sin(3) i approximate to M-2 sin(3) i = 13 +/- 2 M-circle dot, with q = M-2/M-1 = 1.01 +/- 0.07. An analysis of emission excess stemming from a wind-wind collision yields an inclination similar to that obtained from polarimetry (i = 39 +/- 6 degrees). Our analysis thus implies M-1 = 53(-20)(+40) and M2 = 54(-20)(+40) M-circle dot, excluding M-1 > 300 M-circle dot. A detailed comparison with evolution tracks calculated for single and binary stars together with the high eccentricity suggests that the components of the system underwent quasi-homogeneous evolution and avoided mass-transfer. This scenario would suggest current masses of approximate to 80 M-circle dot and initial masses of M-i,M-1 approximate to 10(5) and M-i,M-2 approximate to 90 M-circle dot, consistent with the upper limits of our derived orbital masses, and would imply an age of approximate to 2.2 Myr.
The standard model for GRB afterglow emission treats the accelerated electron population as a simple power law, N(E) proportional to E-p for p greater than or similar to 2. However, in standard Fermi shock acceleration, a substantial fraction of the swept-up particles do not enter the acceleration process at all. Additionally, if acceleration is efficient, then the nonlinear back-reaction of accelerated particles on the shock structure modifies the shape of the nonthermal tail of the particle spectra. Both of these modifications to the standard synchrotron afterglow impact the luminosity, spectra, and temporal variation of the afterglow. To examine the effects of including thermal particles and nonlinear particle acceleration on afterglow emission, we follow a hydrodynamical model for an afterglow jet and simulate acceleration at numerous points during the evolution. When thermal particles are included, we find that the electron population is at no time well fitted by a single power law, though the highest-energy electrons are; if the acceleration is efficient, then the power-law region is even smaller. Our model predicts hard-soft-hard spectral evolution at X-ray energies, as well as an uncoupled X-ray and optical light curve. Additionally, we show that including emission from thermal particles has drastic effects (increases by factors of 100 and 30, respectively) on the observed flux at optical and GeV energies. This enhancement of GeV emission makes afterglow detections by future gamma-ray observatories, such as CTA, very likely.
gamma Cassiopeia (gamma Cas), is known to be a binary system consisting of a Be-type star and a low-mass (M similar to 1M(circle dot)) companion of unknown nature orbiting in the Be-disc plane. Here, we apply the quasi-spherical accretion theory on to a compact magnetized star and show that if the low-mass companion of gamma Cas is a fast spinning neutron star, the key observational signatures of. Cas are remarkably well reproduced. Direct accretion on to this fast rotating neutron star is impeded by the propeller mechanism. In this case, around the neutron star magnetosphere a hot shell is formed which emits thermal X-rays in qualitative and quantitative agreement with observed properties of the X-ray emission from gamma Cas. We suggest that gamma Cas and its analogues constitute a new subclass of Be-type X-ray binaries hosting rapidly rotating neutron stars formed in supernova explosions with small kicks. The subsequent evolutionary stage of gamma Cas and its analogues should be the X Per-type binaries comprising low-luminosity slowly rotating X-ray pulsars. The model explains the enigmatic X-ray emission from gamma Cas, and also establishes evolutionary connections between various types of rotating magnetized neutron stars in Be-binaries.
Gaussianity Fair
(2017)
The influence of different parameters on the silicification procedure using lysozyme is reported. When polyethoxysiloxane (PEOS), an internally crosslinked silica reservoir, is used, regular structures with a narrow size distribution could be obtained only via introducing the silica precursor in two steps including initial dropping and subsequent addition of residual oil phase in one portion. We found that mixing sequence of mineralizing agents in the presence of a positively charged surfactant plays a key role in terms of silica precipitation when tetraethoxyorthosilicate (TEOS) is the oil phase. In contrast, well mineralized crumpled features with high specific surface area could be synthesized in the presence of PEOS as a silica precursor polymer, regardless of mixing sequence. Moreover, introducing sodium dodecyl sulfate (SDS) as a negatively charged surfactant resulted in regular silica sphere formation only in combination with hexylene glycol (MPD) as a specific co-solvent. Finally, it is demonstrated that by inclusion of different nanoparticles even more sophisticated hybrid materials can be generated.
Significant progress has been made in recent years in understanding acceleration mechanisms in the Earth's radiation belts. In particular, a number of studies demonstrated the importance of the local acceleration by analyzing the radial profiles of phase space density (PSD) and observing building up peaks in PSD. In this study, we focus on understanding of the local loss using very similar tools. The profiles of PSD for various values of the first adiabatic invariants during the previously studied 17 January 2013 storm are presented and discussed. The profiles of PSD show clear deepening minimums consistent with the scattering by electromagnetic ion cyclotron waves. Long-term evolution shows that local minimums in PSD can persist for relatively long times. During considered interval of time the deepening minimums were observed around L* = 4 during 17 January 2013 storm and around L* = 3.5 during 1 March 2013 storm. This study shows a new method that can help identify the location, magnitude, and time of the local loss and will help quantify local loss in the future. This study also provides additional clear and definitive evidence that local loss plays a major role for the dynamics of the multi-MeV electrons.
What are the physical laws of the diffusive search of proteins for their specific binding sites on DNA in the presence of the macromolecular crowding in cells? We performed extensive computer simulations to elucidate the protein target search on DNA. The novel feature is the viscoelastic non-Brownian protein bulk diffusion recently observed experimentally. We examine the influence of the protein-DNA binding affinity and the anomalous diffusion exponent on the target search time. In all cases an optimal search time is found. The relative contribution of intermittent three-dimensional bulk diffusion and one-dimensional sliding of proteins along the DNA is quantified. Our results are discussed in the light of recent single molecule tracking experiments, aiming at a better understanding of the influence of anomalous kinetics of proteins on the facilitated diffusion mechanism.
Kuramoto and Battogtokh (2002 Nonlinear Phenom. Complex Syst. 5 380) discovered chimera states represented by stable coexisting synchrony and asynchrony domains in a lattice of coupled oscillators. After a reformulation in terms of a local order parameter, the problem can be reduced to partial differential equations. We find uniformly rotating, spatially periodic chimera patterns as solutions of a reversible ordinary differential equation, and demonstrate a plethora of such states. In the limit of neutral coupling they reduce to analytical solutions in the form of one-and two-point chimera patterns as well as localized chimera solitons. Patterns at weakly attracting coupling are characterized by virtue of a perturbative approach. Stability analysis reveals that only the simplest chimeras with one synchronous region are stable.
B2 1215+30 is a BL-Lac-type blazar that was first detected at TeV energies by the MAGIC atmospheric Cherenkov telescopes and subsequently confirmed by the Very Energetic Radiation Imaging Telescope Array System (VERITAS) observatory with data collected between 2009 and 2012. In 2014 February 08, VERITAS detected a large-amplitude flare from B2. 1215+30 during routine monitoring observations of the blazar 1ES. 1218+304, located in the same field of view. The TeV flux reached 2.4 times the Crab Nebula flux with a variability timescale of <3.6 hr. Multiwavelength observations with Fermi-LAT, Swift, and the Tuorla Observatory revealed a correlated high GeV flux state and no significant optical counterpart to the flare, with a spectral energy distribution where the gamma-ray luminosity exceeds the synchrotron luminosity. When interpreted in the framework of a onezone leptonic model, the observed emission implies a high degree of beaming, with Doppler factor delta > 10, and an electron population with spectral index p < 2.3.
We present rigorous results for the mean first passage time and first passage time statistics for two-channel Markov additive diffusion in a 3-dimensional spherical domain. Inspired by biophysical examples we assume that the particle can only recognise the target in one of the modes, which is shown to effect a non-trivial first passage behaviour. We also address the scenario of intermittent immobilisation. In both cases we prove that despite the perfectly non-recurrent motion of two-channel Markov additive diffusion in 3 dimensions the first passage statistics at long times do not display Poisson-like behaviour if none of the phases has a vanishing diffusion coefficient. This stands in stark contrast to the standard (one-channel) Markov diffusion counterpart. We also discuss the relevance of our results in the context of cellular signalling.
Statistical properties of a free-electron laser revealed by Hanbury Brown-Twiss interferometry
(2017)
We present a comprehensive experimental analysis of statistical properties of the self-amplified spontaneous emission free-electron laser (FEL) FLASH by means of Hanbury Brown and Twiss interferometry. The experiments were performed at FEL wavelengths of 5.5, 13.4, and 20.8 nm. We determined the second-order intensity correlation function for all wavelengths and different operation conditions of FLASH. In all experiments a high degree of spatial coherence (above 50%) was obtained. Our analysis performed in spatial and spectral domains provided us with the independent measurements of an average pulse duration of the FEL that were below 60 fs. To explain the complicated behavior of the second-order intensity correlation function we developed an advanced theoretical model that includes the presence of multiple beams and external positional jitter of the FEL pulses. By this analysis we determined that in one of the experiments external positional jitter was about 25% of the beam size. We envision that methods developed in our study will be used widely for analysis and diagnostics of FEL radiation.
We study synchronization properties of three nonlinearly coupled chaotic maps. Coupling is introduced in such a way, that it cannot be reduced to pairwise terms, but includes combined action of all interacting units. For two models of nonlinear coupling we characterize the transition to complete synchrony, as well as partially synchronized states. Relation to hypernetworks of chaotic units is also discussed.
The absorption of TeV gamma-ray photons produced in relativistic jets by surrounding soft photon fields is a long-standing problem of jet physics. In some cases, the most likely emission site close to the central black hole is ruled out because of the high opacity caused by strong optical and infrared photon sources, such as the broad-line region. Mostly neglected for jet modelling is the absorption of gamma-rays in the starlight photon field of the host galaxy. Analysing the absorption for arbitrary locations and observation angles of the gamma-ray emission site within the host galaxy, we find that the distance to the galaxy centre, the observation angle, and the distribution of starlight in the galaxy are crucial for the amount of absorption. We derive the absorption value for a sample of 20 TeV-detected blazars with a redshift z(r) < 0.2. The absorption value of the gamma-ray emission located in the galaxy centre may be as high as 20 per cent, with an average value of 6 per cent. This is important in order to determine the intrinsic blazar parameters. We see no significant trends in our sample between the degree of absorption and host properties, such as starlight emissivity, galactic size, half-light radius, and redshift. While the uncertainty of the spectral properties of the extragalactic background light exceeds the effect of absorption by stellar light from the host galaxy in distant objects, the latter is a dominant effect in nearby sources. It may also be revealed in a differential comparison of sources with similar redshifts.
This study introduces a thermally responsive, polymer-based electrode system. The key component is a surface-attached, temperature-responsive poly(oligoethylene glycol) methacrylate (poly(OEGMA)) type polymer bearing photoreactive benzophenone and carboxy groups containing side chains. The responsive behavior of the polymer in aqueous media has been investigated by turbidimetry measurements. Polymer films are formed on gold substrates by means of the photoreactive 2(dicyclohexylphosphino)benzophenone (DPBP) through photocrosslinking. The electrochemical behavior of the resulting polymer-substrate interface has been investigated in buffered [Fe(CN)6](3-)/[Fe (CN)6](4-)solutions at room temperature and under temperature variation by cyclic voltammetry (CV). The CV experiments show that with increasing temperature structural changes of the polymer layer occur, which alter the output of the electrochemical measurement. Repeated heating/cooling cycles analyzed by CV measurements and pH changes analyzed by quartz crystal microbalance with dissipation monitoring (QCM-D) reveal the reversible nature of the restructuring process. The immobilized films are further modified by covalent coupling of two small biomolecules - a hydrophobic peptide and a more hydrophilic one. These attached components influence the hydrophobicity of the layer in a different way the resulting change of the temperature-caused behavior has been studied by CV indicating a different state of the polymer after coupling of the hydrophobic peptide.
Proteine sind an praktisch allen Prozessen in lebenden Zellen maßgeblich beteiligt. Auch in der Biotechnologie werden Proteine in vielfältiger Weise eingesetzt.
Ein Protein besteht aus einer Kette von Aminosäuren. Häufig lagern sich mehrere dieser Ketten zu größeren Strukturen und Funktionseinheiten, sogenannten Proteinkomplexen,
zusammen. Kürzlich wurde gezeigt, dass eine Proteinkomplexbildung bereits während der Biosynthese der Proteine (co-translational) stattfinden kann
und nicht stets erst danach (post-translational) erfolgt. Da Fehlassemblierungen von Proteinen zu Funktionsverlusten und adversen Effekten führen, ist eine präzise und verlässliche Proteinkomplexbildung sowohl für zelluläre Prozesse als auch für biotechnologische Anwendungen essenziell. Mit experimentellen Methoden lassen sich zwar u.a. die Stöchiometrie und die Struktur von Proteinkomplexen bestimmen,
jedoch bisher nicht die Dynamik der Komplexbildung auf unterschiedlichen Zeitskalen. Daher sind grundlegende Mechanismen der Proteinkomplexbildung noch nicht vollständig verstanden. Die hier vorgestellte, auf experimentellen Erkenntnissen aufbauende, computergestützte Modellierung der Proteinkomplexbildung erlaubt eine umfassende Analyse des Einflusses physikalisch-chemischer Parameter
auf den Assemblierungsprozess. Die Modelle bilden möglichst realistisch die experimentellen Systeme der Kooperationspartner (Bar-Ziv, Weizmann-Institut, Israel; Bukau und Kramer, Universität Heidelberg) ab, um damit die Assemblierung von Proteinkomplexen einerseits in einem quasi-zweidimensionalen synthetischen Expressionssystem (in vitro) und andererseits im Bakterium Escherichia coli (in vivo) untersuchen zu können. Mit Hilfe eines vereinfachten Expressionssystems, in dem die Proteine nur an die Chip-Oberfläche, aber nicht aneinander binden können, wird das theoretische Modell parametrisiert. In diesem vereinfachten in-vitro-System durchläuft die Effizienz der Komplexbildung drei Regime – ein bindedominiertes Regime, ein Mischregime und ein produktionsdominiertes Regime. Ihr Maximum erreicht die Effizienz dabei kurz nach dem Übergang vom bindedominierten ins Mischregime und fällt anschließend monoton ab. Sowohl im nicht-vereinfachten in-vitro- als auch im in-vivo-System koexistieren je zwei konkurrierende Assemblierungspfade: Im in-vitro-System erfolgt die Komplexbildung entweder spontan in wässriger Lösung (Lösungsassemblierung) oder aber in einer definierten Schrittfolge an der Chip-Oberfläche (Oberflächenassemblierung); Im in-vivo-System konkurrieren hingegen die co- und die post-translationale Komplexbildung. Es zeigt sich, dass die Dominanz der Assemblierungspfade im in-vitro-System zeitabhängig ist und u.a. durch die Limitierung und Stärke der Bindestellen auf der Chip-Oberfläche beeinflusst werden kann. Im in-vivo-System hat der räumliche Abstand zwischen den Syntheseorten der beiden Proteinkomponenten nur dann einen Einfluss auf die Komplexbildung, wenn die Untereinheiten schnell degradieren. In diesem Fall dominiert die co-translationale Assemblierung auch auf kurzen Zeitskalen deutlich, wohingegen es bei stabilen Untereinheiten zu einem Wechsel von der Dominanz der post- hin zu einer geringen Dominanz der co-translationalen Assemblierung kommt. Mit den in-silico-Modellen lässt sich neben der Dynamik u.a. auch die Lokalisierung der Komplexbildung und -bindung darstellen, was einen Vergleich der theoretischen Vorhersagen mit experimentellen Daten und somit eine Validierung der Modelle ermöglicht. Der hier präsentierte in-silico Ansatz ergänzt die experimentellen Methoden, und erlaubt so, deren Ergebnisse zu interpretieren und neue Erkenntnisse davon abzuleiten.
Chemotactic motion in a chemical gradient is an essential cellular function that controls many processes in the living world. For a better understanding and more detailed modelling of the underlying mechanisms of chemotaxis, quantitative investigations in controlled environments are needed. We developed a setup that allows us to separately address the dependencies of the chemotactic motion on the average background concentration and on the gradient steepness of the chemoattractant. In particular, both the background concentration and the gradient steepness can be kept constant at the position of the cell while it moves along in the gradient direction. This is achieved by generating a well-defined chemoattractant gradient using flow photolysis. In this approach, the chemoattractant is released by a light-induced reaction from a caged precursor in a microfluidic flow chamber upstream of the cell. The flow photolysis approach is combined with an automated real-time cell tracker that determines changes in the cell position and triggers movement of the microscope stage such that the cell motion is compensated and the cell remains at the same position in the gradient profile. The gradient profile can be either determined experimentally using a caged fluorescent dye or may be alternatively determined by numerical solutions of the corresponding physical model. To demonstrate the function of this adaptive microfluidic gradient generator, we compare the chemotactic motion of Dictyostelium discoideum cells in a static gradient and in a gradient that adapts to the position of the moving cell. Published by AIP Publishing.
Wings of the butterfly
(2017)
The spatio-temporal evolution of sunspot activity, the so-called Maunder butterfly diagram, has been continously available since 1874 using data from the Royal Greenwich Observatory, extended by SOON network data after 1976. Here we present a new extended butterfly diagram of sunspot group occurrence since 1826, using the recently digitized data from Schwabe (1826-1867) and Sporer (1866-1880). The wings of the diagram are separated using a recently developed method based on an analysis of long gaps in sunspot group occurrence in different latitude bands. We define characteristic latitudes, corresponding to the start, end, and the largest extent of the wings (the F, L, and H latitudes). The H latitudes (30 degrees-45 degrees) are highly significantly correlated with the strength of the wings (quantified by the total sum of the monthly numbers of sunspot groups). The F latitudes (20 degrees-30 degrees) depict a weak tendency, especially in the southern hemisphere, to follow the wing strength. The L latitudes (2 degrees-10 degrees) show no clear relation to the wing strength. Overall, stronger cycle wings tend to start at higher latitudes and have a greater wing extent. A strong (5-6)-cycle periodic oscillation is found in the start and end times of the wings and in the overlap and gaps between successive wings of one hemisphere. While the average wing overlap is zero in the southern hemisphere, it is two to three months in the north. A marginally significant oscillation of about ten solar cycles is found in the asymmetry of the L latitudes. The new long database of butterfly wings provides new observational constraints to solar dynamo models that discuss the spatio-temporal distribution of sunspot occurrence over the solar cycle and longer.
The biomolecule is among the most important building blocks of biological systems, and a full understanding of its function forms the scaffold for describing the mechanisms of higher order structures as organelles and cells. Force is a fundamental regulatory mechanism of biomolecular interactions driving many cellular processes. The forces on a molecular scale are exactly in the range that can be manipulated and probed with single molecule force spectroscopy. The natural environment of a biomolecule is inside a living cell, hence, this is the most relevant environment for probing their function. In vivo studies are, however, challenged by the complexity of the cell. In this review, we start with presenting relevant theoretical tools for analyzing single molecule data obtained in intracellular environments followed by a description of state-of-the art visualization techniques. The most commonly used force spectroscopy techniques, namely optical tweezers, magnetic tweezers, and atomic force microscopy, are described in detail, and their strength and limitations related to in vivo experiments are discussed. Finally, recent exciting discoveries within the field of in vivo manipulation and dynamics of single molecule and organelles are reviewed.
High-frequency (HF) deep brain stimulation (DBS) is the gold standard for the treatment of medically refractory movement disorders like Parkinson’s disease, essential tremor, and dystonia, with a significant potential for application to other neurological diseases. The standard setup of HF DBS utilizes an open-loop stimulation protocol, where a permanent HF electrical pulse train is administered to the brain target areas irrespectively of the ongoing neuronal dynamics. Recent experimental and clinical studies demonstrate that a closed-loop, adaptive DBS might be superior to the open-loop setup. We here combine the notion of the adaptive high-frequency stimulation approach, that aims at delivering stimulation adapted to the extent of appropriately detected biomarkers, with specifically desynchronizing stimulation protocols. To this end, we extend the delayed feedback stimulation methods, which are intrinsically closed-loop techniques and specifically designed to desynchronize abnormal neuronal synchronization, to pulsatile electrical brain stimulation. We show that permanent pulsatile high-frequency stimulation subjected to an amplitude modulation by linear or nonlinear delayed feedback methods can effectively and robustly desynchronize a STN-GPe network of model neurons and suggest this approach for desynchronizing closed-loop DBS.
The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field
(2017)
The interaction of gas phase endohedral fullerene Ho3N@C-80 with intense (0.1-5 x 10(14) W/cm(2)), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C-80(q+), q = 1-2, was found to be different from that of C-60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C-60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C-80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 x 10(14) W/cm(2).
We discuss the notion of symmetries in non-local field theories characterized by integro-differential equations of motion, from a geometric perspective. We then focus on group field theory (GFT) models of quantum gravity and provide a general analysis of their continuous point symmetry transformations, including the generalized conservation laws following from them.
We report on a photo-assisted adsorption of gold nanoparticles on a silicon substrate studied using atomic-force microscopy and secondary ion mass-spectrometry. Depending on a silicon conductivity type (n-Si or p-Si), the amount of photo-assisted adsorbed gold nanoparticles either increases (n-Si) or decreases (p-Si) on irradiation. In addition, the impacts of a cationic polyelectrolyte monolayer and adsorption time were also revealed. The polyelectrolyte layer enhances the adsorption of the gold nanoparticles but decreases the influence of light. The results of the photo-assisted adsorption on two types of silicon wafer were explained by electron processes at the substrate/solution interface.
This work was supported by the German-Russian Interdisciplinary Science Center (G-RISC) funded by the German Federal Foreign Office via the German Academic Exchange Service (DAAD), Project No. P-2014b-1, and Russian foundation for basic research, Project No. 16-08-00524_a.
We perform ab initio molecular dynamics simulations to study the femtosecond laser induced desorption of H-2, D-2, and HD from a H: D-saturated Ru(0001) surface. To this aim we have extended the ab initio molecular dynamics with electronic friction (AIMDEF) scheme to include a random force that is a function of a timedependent electronic temperature. The latter characterizes the action of the ultrashort laser pulse according to a two temperature model. This allows us to perform multidimensional, hot-electron driven reaction dynamics and investigate the dependence of the desorption yields on the relative H: D isotope concentration on the surface. Our AIMDEF simulations show that the desorption process takes place in the presence of a heated adsorbate system that clearly influences the desorption dynamics. The heating of the adsorbate system is more (less) pronounced the larger is the concentration of the lighter (heavier) isotope. As a result, we conclude that the presence of H on the surface favors the desorption of molecules, whereas the presence of D hampers it, in agreement with previous experimental observations in which the phenomenon of "dynamical promotion" of a surface reaction had been postulated.
Dark matter constraints from a joint analysis of dwarf Spheroidal galaxy observations with VERITAS
(2017)
We present constraints on the annihilation cross section of weakly interacting massive particles dark matter based on the joint statistical analysis of four dwarf galaxies with VERITAS. These results are derived from an optimized photon weighting statistical technique that improves on standard imaging atmospheric Cherenkov telescope (IACT) analyses by utilizing the spectral and spatial properties of individual photon events. We report on the results of similar to 230 hours of observations of five dwarf galaxies and the joint statistical analysis of four of the dwarf galaxies. We find no evidence of gamma-ray emission from any individual dwarf nor in the joint analysis. The derived upper limit on the dark matter annihilation cross section from the joint analysis is 1.35 x 10(-23) cm(3) s(-1) at 1 TeV for the bottom quark (b (b) over bar) final state, 2.85 x 10(-24) cm(3) s(-1) at 1 TeV for the tau lepton (tau+tau(-)) final state and 1.32 x 10-25 cm(3) s(-1) at 1 TeV for the gauge boson (gamma gamma) final state.
Strong events of long-range transported biomass burning aerosol were detected during July 2013 at three EARLINET (European Aerosol Research Lidar Network) stations, namely Granada (Spain), Leipzig (Germany) and Warsaw (Poland). Satellite observations from MODIS (Moderate Resolution Imaging Spectroradiometer) and CALIOP (Cloud-Aerosol Lidar with Orthogonal Polarization) instruments, as well as modeling tools such as HYSPLIT (Hybrid Single-Particle Lagrangian Integrated Trajectory) and NAAPS (Navy Aerosol Analysis and Prediction System), have been used to estimate the sources and transport paths of those North American forest fire smoke particles. A multiwavelength Raman lidar technique was applied to obtain vertically resolved particle optical properties, and further inversion of those properties with a regularization algorithm allowed for retrieving microphysical information on the studied particles. The results highlight the presence of smoke layers of 1-2 km thickness, located at about 5 km a.s.l. altitude over Granada and Leipzig and around 2.5 km a.s.l. at Warsaw. These layers were intense, as they accounted for more than 30% of the total AOD (aerosol optical depth) in all cases, and presented optical and microphysical features typical for different aging degrees: color ratio of lidar ratios (LR532/LR355) around 2, alpha-related angstrom exponents of less than 1, effective radii of 0.3 mu m and large values of single scattering albedos (SSA), nearly spectrally independent. The intensive microphysical properties were compared with columnar retrievals form co-located AERONET (Aerosol Robotic Network) stations. The intensity of the layers was also characterized in terms of particle volume concentration, and then an experimental relationship between this magnitude and the particle extinction coefficient was established.
Inorganic-organic perovskites like methylammonium-lead-iodide have proven to be an effective class of 17 materials for fabricating efficient solar cells. To improve their performance, light management techniques using textured surfaces, similar to those used in established solar cell technologies, should be considered. Here, we apply a light management foil created by UV nanoimprint lithography on the glass side of an inverted (p-i-n) perovskite solar cell with 16.3% efficiency. The obtained 1 mA cm(-2) increase in the short-circuit current density translates to a relative improvement in cell performance of 5%, which results in a power conversion efficiency of 17.1%. Optical 3D simulations based on experimentally obtained parameters were used to support the experimental findings. A good match between the simulated and experimental data was obtained, validating the model. Optical simulations reveal that the main improvement in device performance is due to a reduction in total reflection and that relative improvement in the short-circuit current density of up to 10% is possible for large-area devices. Therefore, our results present the potential of light management foils for improving the device performance of perovskite solar cells and pave the way for further use of optical simulations in the field of perovskite solar cells.
This paper presents a new experimental method for the characterization of the surface damage caused by a heat shock on a Brazilian disk test sample. Prior to mechanical testing with a Hopkinson Split Pressure bar device, the samples were subjected to heat shock by placing a flame torch at a fixed distance from the sample’s surface for periods of 10, 30, and 60 s. The sample surfaces were studied before and after the heat shock using optical microscopy and profilometry, and the images were analyzed to quantify the damage caused by the heat shock. The complexity of the surface crack patterns was quantified using fractal dimension of the crack patterns, which were used to explain the results of the mechanical testing. Even though the heat shock also causes damage below the surface which cannot be quantified from the optical images, the presented surface crack pattern analysis can give a reasonable estimate on the drop rate of the tension strength of the rock.
The amplified spontaneous emission from a superluminescent diode was frequency doubled in a periodically poled lithium niobate waveguide crystal. The temporally incoherent radiation of such a superluminescent diode is characterized by a relatively broad spectral bandwidth and thermal-like photon statistics, as the measured degree of second order coherence, g((2))(0)= 1.9 +/- 0.1, indicates. Despite the non-optimized scenario in the spectral domain, we achieve six orders of magnitude higher conversion efficiency than previously reported with truly incoherent light. This is possible by using single spatial mode radiation and quasi phase matched material with a waveguide architecture. This work is a principle step towards efficient frequency conversion of temporally incoherent radiation in one spatial mode to access wavelengths where no radiation from superluminescent diodes is available, especially with tailored quasi phase matched crystals. The frequency doubled light might find application in imaging, metrology and quantum optics experiments.
Imaging atmospheric Cherenkov telescopes (IACTs) are equipped with sensitive photomultiplier tube (PMT) cameras. Exposure to high levels of background illumination degrades the efficiency of and potentially destroys these photo-detectors over time, so IACTs cannot be operated in the same configuration in the presence of bright moonlight as under dark skies. Since September 2012, observations have been carried out with the VERITAS IACTs under bright moonlight (defined as about three times the night-sky-background (NSB) of a dark extragalactic field, typically occurring when Moon illumination > 35%) in two observing modes, firstly by reducing the voltage applied to the PMTs and, secondly, with the addition of ultra-violet (UV) bandpass filters to the cameras. This has allowed observations at up to about 30 times previous NSB levels (around 80% Moon illumination), resulting in 30% more observing time between the two modes over the course of a year. These additional observations have already allowed for the detection of a flare from the 1ES 1727 + 502 and for an observing program targeting a measurement of the cosmic-ray positron fraction. We provide details of these new observing modes and their performance relative to the standard VERITAS observations. (C) 2017 Elsevier B.V. All rights reserved.