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In this work, some new results to exploit the recurrence properties of quasiperiodic dynamical systems are presented by means of a two dimensional visualization technique, Recurrence Plots(RPs). Quasiperiodicity is the simplest form of dynamics exhibiting nontrivial recurrences, which are common in many nonlinear systems. The concept of recurrence was introduced to study the restricted three body problem and it is very useful for the characterization of nonlinear systems. I have analyzed in detail the recurrence patterns of systems with quasiperiodic dynamics both analytically and numerically. Based on a theoretical analysis, I have proposed a new procedure to distinguish quasiperiodic dynamics from chaos. This algorithm is particular useful in the analysis of short time series. Furthermore, this approach demonstrates to be efficient in recognizing regular and chaotic trajectories of dynamical systems with mixed phase space. Regarding the application to real situations, I have shown the capability and validity of this method by analyzing time series from fluid experiments.
Extending synchrotron X-ray refraction techniques to the quantitative analysis of metallic materials
(2022)
In this work, two X-ray refraction based imaging methods, namely, synchrotron X-ray refraction radiography (SXRR) and synchrotron X-ray refraction computed tomography (SXRCT), are applied to analyze quantitatively cracks and porosity in metallic materials. SXRR and SXRCT make use of the refraction of X-rays at inner surfaces of the material, e.g., the surfaces of cracks and pores, for image contrast. Both methods are, therefore, sensitive to smaller defects than their absorption based counterparts X-ray radiography and computed tomography. They can detect defects of nanometric size. So far the methods have been applied to the analysis of ceramic materials and fiber reinforced plastics. The analysis of metallic materials requires higher photon energies to achieve sufficient X-ray transmission due to their higher density. This causes smaller refraction angles and, thus, lower image contrast because the refraction index depends on the photon energy. Here, for the first time, a conclusive study is presented exploring the possibility to apply SXRR and SXRCT to metallic materials. It is shown that both methods can be optimized to overcome the reduced contrast due to smaller refraction angles. Hence, the only remaining limitation is the achievable X-ray transmission which is common to all X-ray imaging methods. Further, a model for the quantitative analysis of the inner surfaces is presented and verified.
For this purpose four case studies are conducted each posing a specific challenge to the imaging task. Case study A investigates cracks in a coupon taken from an aluminum weld seam. This case study primarily serves to verify the model for quantitative analysis and prove the sensitivity to sub-resolution features. In case study B, the damage evolution in an aluminum-based particle reinforced metal-matrix composite is analyzed. Here, the accuracy and repeatability of subsequent SXRR measurements is investigated showing that measurement errors of less than 3 % can be achieved. Further, case study B marks the fist application of SXRR in combination with in-situ tensile loading. Case study C is out of the highly topical field of additive manufacturing. Here, porosity in additively manufactured Ti-Al6-V4 is analyzed with a special interest in the pore morphology. A classification scheme based on SXRR measurements is devised which allows to distinguish binding defects from keyhole pores even if the defects cannot be spatially resolved. In case study D, SXRCT is applied to the analysis of hydrogen assisted cracking in steel. Due to the high X-ray attenuation of steel a comparatively high photonenergy of 50 keV is required here. This causes increased noise and lower contrast in the data compared to the other case studies. However, despite the lower data quality a quantitative analysis of the occurance of cracks in dependence of hydrogen content and applied mechanical load is possible.
In the present dissertation paper an approach which ensures an efficient control of such diverse systems as noisy or chaotic oscillators and neural ensembles is developed. This approach is implemented by a simple linear feedback loop. The dissertation paper consists of two main parts. One part of the work is dedicated to the application of the suggested technique to a population of neurons with a goal to suppress their synchronous collective dynamics. The other part is aimed at investigating linear feedback control of coherence of a noisy or chaotic self-sustained oscillator. First we start with a problem of suppressing synchronization in a large population of interacting neurons. The importance of this task is based on the hypothesis that emergence of pathological brain activity in the case of Parkinson's disease and other neurological disorders is caused by synchrony of many thousands of neurons. The established therapy for the patients with such disorders is a permanent high-frequency electrical stimulation via the depth microelectrodes, called Deep Brain Stimulation (DBS). In spite of efficiency of such stimulation, it has several side effects and mechanisms underlying DBS remain unclear. In the present work an efficient and simple control technique is suggested. It is designed to ensure suppression of synchrony in a neural ensemble by a minimized stimulation that vanishes as soon as the tremor is suppressed. This vanishing-stimulation technique would be a useful tool of experimental neuroscience; on the other hand, control of collective dynamics in a large population of units represents an interesting physical problem. The main idea of suggested approach is related to the classical problem of oscillation theory, namely the interaction between a self-sustained (active) oscillator and a passive load (resonator). It is known that under certain conditions the passive oscillator can suppress the oscillations of an active one. In this thesis a much more complicated case of active medium, which itself consists of thousands of oscillators is considered. Coupling this medium to a specially designed passive oscillator, one can control the collective motion of the ensemble, specifically can enhance or suppress it. Having in mind a possible application in neuroscience, the problem of suppression is concentrated upon. Second, the efficiency of suggested suppression scheme is illustrated by considering more complex case, i.e. when the population of neurons generating the undesired rhythm consists of two non-overlapping subpopulations: the first one is affected by the stimulation, while the collective activity is registered from the second one. Generally speaking, the second population can be by itself both active and passive; both cases are considered here. The possible applications of suggested technique are discussed. Third, the influence of the external linear feedback on coherence of a noisy or chaotic self-sustained oscillator is considered. Coherence is one of the main properties of self-oscillating systems and plays a key role in the construction of clocks, electronic generators, lasers, etc. The coherence of a noisy limit cycle oscillator in the context of phase dynamics is evaluated by the phase diffusion constant, which is in its turn proportional to the width of the spectral peak of oscillations. Many chaotic oscillators can be described within the framework of phase dynamics, and, therefore, their coherence can be also quantified by the way of the phase diffusion constant. The analytical theory for a general linear feedback, considering noisy systems in the linear and Gaussian approximation is developed and validated by numerical results.
This thesis is concerned with the development of numerical methods using finite difference techniques for the discretization of initial value problems (IVPs) and initial boundary value problems (IBVPs) of certain hyperbolic systems which are first order in time and second order in space. This type of system appears in some formulations of Einstein equations, such as ADM, BSSN, NOR, and the generalized harmonic formulation. For IVP, the stability method proposed in [14] is extended from second and fourth order centered schemes, to 2n-order accuracy, including also the case when some first order derivatives are approximated with off-centered finite difference operators (FDO) and dissipation is added to the right-hand sides of the equations. For the model problem of the wave equation, special attention is paid to the analysis of Courant limits and numerical speeds. Although off-centered FDOs have larger truncation errors than centered FDOs, it is shown that in certain situations, off-centering by just one point can be beneficial for the overall accuracy of the numerical scheme. The wave equation is also analyzed in respect to its initial boundary value problem. All three types of boundaries - outflow, inflow and completely inflow that can appear in this case, are investigated. Using the ghost-point method, 2n-accurate (n = 1, 4) numerical prescriptions are prescribed for each type of boundary. The inflow boundary is also approached using the SAT-SBP method. In the end of the thesis, a 1-D variant of BSSN formulation is derived and some of its IBVPs are considered. The boundary procedures, based on the ghost-point method, are intended to preserve the interior 2n-accuracy. Numerical tests show that this is the case if sufficient dissipation is added to the rhs of the equations.
In the first part of my work I have investigated the ageing properties of the first passage time distributions in a one-dimensional subdiffusive continuous time random walk with power law distributed waiting times of the form $\psi(\tau) \sim \tau^{-1-\alpha}$ with $0<\alpha<1$ and $1<\alpha<2$. The age or ageing time $t_a$ is the time span from the start of the stochastic process to the start of the observation of this process (at $t=0$). I have calculated the results for a single target and two targets, also including the biased case, where the walker is driven towards the boundary by a constant force. I have furthermore refined the previously derived results for the non-ageing case and investigated the changes that occur when the walk is performed in a discrete quenched energy landscape, where the waiting times are fixed for every site. The results include the exact Laplace space densities and infinite (converging) series as exact results in the time space. The main results are the dominating long time power law behavior regimes, which depend on the ageing time. For the case of unbiased subdiffusion ($\alpha < 1$) in the presence of one target, I find three different dominant terms for ranges of $t$ separated by $t_a$ and another crossover time $t^{\star}$, which depends on $t_a$ as well as on the anomalous exponent $\alpha$ and the anomalous diffusion coefficient $K_{\alpha}$. In all three regimes ($t \ll t_a$, $t_a \ll t \ll t^{\star}$, $t \gg t^{\star}$) one finds power law decay with exponents depending on $\alpha$. The middle regime only exists for $t_a \ll t^{\star}$. The dominant terms in the first two regimes (ageing regimes) come from the probability distribution of the forward waiting time, the time one has to wait for the stochastic process to make the first step during the observation. When the observation time is larger than the second crossover time $t^{\star}$, the first passage time density does not show ageing and the non-ageing first passage time dominates. The power law exponents in the respective regimes are $-\alpha$ for strong ageing, $-1-\alpha$ in the intermediate regime, and $-1-\alpha/2$ in the final non-ageing regime. A similar split into three regimes can be found for $1<\alpha<2$, only with a different second crossover time $t^*$. In this regime the diffusion is normal but also age-dependent. For the diffusion in quenched energy landscapes one cannot detect ageing. The first passage time density shows a quenched power law $^\sim t^{-(1+2\alpha)/(1+\alpha)}$. For diffusion between two target sites and the biased diffusion towards a target only two scaling regimes emerge, separated by the ageing time. In the ageing case $t \ll t_a$ the forward waiting time is again dominant with power law exponent $-\alpha$, while the non-ageing power law $-1-\alpha$ is found for all times $t \gg t_a$. An intermediate regime does not exist. The bias and the confinement have similar effects on the first passage time density. For quenched diffusion, the biased case is interesting, as the bias reduces correlations due to revisiting of the same waiting time. As a result, CTRW like behavior is observed, including ageing. Extensive computer simulations support my findings.
The second part of my research was done on the subject of ageing Scher-Montroll transport, which is in parts closely related to the first passage densities. It explains the electrical current in an amorphous material. I have investigated the effect of the width of a given initial distribution of charge carriers on the transport coefficients as well as the ageing effect on the emerging power law regimes and a constant initial regime. While a spread out initial distribution has only little impact on the Scher-Montroll current, ageing alters the behavior drastically. Instead of the two classical power laws one finds four current regimes, up to three of which can appear in a single experiment. The dominant power laws differ for $t \ll t_a, t_c$, $t_a \ll t \ll t_c$, $t_c \ll t \ll t_a$, and $t \gg t_a,t_c$. Here, $t_c$ is the crossover time of the non-aged Scher-Montroll current. For strongly aged systems one can observe a constant current in the first regime while the others are dominated by decaying power laws with exponents $\alpha -1$, $-\alpha$, and $-1-\alpha$. The ageing regimes are the 1st and 3rd one, while the classical regimes are the 2nd and the 4th. I have verified the theory using numerical integration of the exact integrals and applied the new results to experimental data.
In the third part I considered a single file of subdiffusing particles in an energy landscape. Every occupied site of the landscape acts as a boundary, from which a particle is immediately reflected to its previous site, if it tries to jump there. I have analysed the effects single-file diffusion a quenched landscape compared to an annealed landscape and I have related these results to the number of steps and related quantities. The diffusion changes from ultraslow logarithmic diffusion in the annealed or CTRW case to subdiffusion with an anomalous exponent $\alpha/(1+\alpha)$ in the quenched landscape. The behavior is caused by the forward waiting time, which changes drastically from the quenched to the annealed case. Single-file effects in the quenched landscape are even more complicated to consider in the ensemble average, since the diffusion in individual landscapes shows extremely diverse behavior. Extensive simulations support my theoretical arguments, which consider mainly the long time evolution of the mean square displacement of a bulk particle.
Thermal and quantum fluctuations of the electromagnetic near field of atoms and macroscopic bodies play a key role in quantum electrodynamics (QED), as in the Lamb shift. They lead, e.g., to atomic level shifts, dispersion interactions (Van der Waals-Casimir-Polder interactions), and state broadening (Purcell effect) because the field is subject to boundary conditions. Such effects can be observed with high precision on the mesoscopic scale which can be accessed in micro-electro-mechanical systems (MEMS) and solid-state-based magnetic microtraps for cold atoms (‘atom chips’). A quantum field theory of atoms (molecules) and photons is adapted to nonequilibrium situations. Atoms and photons are described as fully quantized while macroscopic bodies can be included in terms of classical reflection amplitudes, similar to the scattering approach of cavity QED. The formalism is applied to the study of nonequilibrium two-body potentials. We then investigate the impact of the material properties of metals on the electromagnetic surface noise, with applications to atomic trapping in atom-chip setups and quantum computing, and on the magnetic dipole contribution to the Van der Waals-Casimir-Polder potential in and out of thermal equilibrium. In both cases, the particular properties of superconductors are of high interest. Surface-mode contributions, which dominate the near-field fluctuations, are discussed in the context of the (partial) dynamic atomic dressing after a rapid change of a system parameter and in the Casimir interaction between two conducting plates, where nonequilibrium configurations can give rise to repulsion.
During this work I built a four wave mixing setup for the time-resolved femtosecond spectroscopy of Raman-active lattice modes. This setup enables to study the selective excitation of phonon polaritons. These quasi-particles arise from the coupling of electro-magnetic waves and transverse optical lattice modes, the so-called phonons. The phonon polaritons were investigated in the optically non-linear, ferroelectric crystals LiNbO₃ and LiTaO₃.
The direct observation of the frequency shift of the scattered narrow bandwidth probe pulses proofs the role of the Raman interaction during the probe and excitation process of phonon polaritons. I compare this experimental method with the measurement where ultra-short laser pulses are used. The frequency shift remains obscured by the relative broad bandwidth of these laser pulses. In an experiment with narrow bandwidth probe pulses, the Stokes and anti-Stokes intensities are spectrally separated. They are assigned to the corresponding counter-propagating wavepackets of phonon polaritons. Thus, the dynamics of these wavepackets was separately studied. Based on these findings, I develop the mathematical description of the so-called homodyne detection of light for the case of light scattering from counter propagating phonon polaritons.
Further, I modified the broad bandwidth of the ultra-short pump pulses using bandpass filters to generate two pump pulses with non-overlapping spectra. This enables the frequency-selective excitation of polariton modes in the sample, which allows me to observe even very weak polariton modes in LiNbO₃ or LiTaO₃ that belong to the higher branches of the dispersion relation of phonon polaritons. The experimentally determined dispersion relation of the phonon polaritons could therefore be extended and compared to theoretical models. In addition, I determined the frequency-dependent damping of phonon polaritons.
From dawn till dusk
(2020)
Supernova remnants are believed to be the source of cosmic rays with energies up to 10^15 eV that are produced within our Galaxy. The acceleration mechanism associated with the collision-less shocks in supernova remnants - diffusive shock acceleration - predicts a spectral index of the accelerated non-thermal particles of s = 2. However, measurements of non-thermal emission in radio, X-rays and gamma-rays reveal significant deviations of the particles spectral index from the canonical value of s = 2.
The youngest Galactic supernova remnant G1.9+0.3 is an interesting target for next-generation gamma-ray observatories. So far, the remnant is only detected in the radio and the X-ray bands, but its young age of ≈100 yrs and inferred shock speed of ≈ 14, 000 km/s could make it an efficient particle accelerator.
I performed spherical symmetric 1D simulations with the RATPaC code, in which I simultaneously solved the transport equation for cosmic rays, the transport equation for magnetic turbulence, and the hydro-dynamical equations for the gas flow. Separately computed distributions of the particles accelerated at the forward and the reverse shock were then used to calculate the spectra of synchrotron, inverse Compton, and Pion-decay radiation from the source.
The emission from G1.9+0.3 can be self-consistently explained within the test-particle limit. I find that the X-ray flux is dominated by emission from the forward shock while most of the radio emission originates near the reverse shock, which makes G1.9+0.3 the first remnant with non-thermal radiation detected from the reverse shock. The flux of very-high-energy gamma-ray emission from G1.9+0.3 is expected to be close to the sensitivity threshold of the Cherenkov Telescope Array. The limited time available to grow large-scale turbulence limits the maximum energy of particles to values below 100 TeV, hence G1.9+0.3 is not a PeVatron.
Although there are many models for the acceleration of cosmic rays in Supernova remnants, the escape of cosmic rays from these sources is yet understudied.
I use our time-dependent acceleration code RATPaC to study the acceleration of cosmic rays and their escape in post-adiabatic Supernova remnants and calculate the subsequent gamma-ray emission from inverse-Compton scattering and Pion decay. My simulations span 100,000 years, thus covering the free-expansion, the Sedov-Taylor, and the beginning of the post-adiabatic phase of the remnant’s evolution.
At later stages of the evolution cosmic rays over a wide range of energy can reside outside of the remnant, creating spectra that are softer than predicted by standard diffusive shock acceleration and feature breaks in the 10 - 100 GeV-range. The total spectrum of cosmic rays released into the interstellar medium has a spectral index of s ≈ 2.4 above roughly 10 GeV which is close to that required by Galactic propagation models. I further find the gamma-ray luminosity to peak around an age of 4,000 years for inverse-Compton-dominated high-energy emission. Remnants expanding in low-density media emit generally more inverse-Compton radiation matching the fact that the brightest known supernova remnants - RCW86, Vela Jr, HESSJ1721-347 and RXJ1713.7-3946 - are all expanding in low density environments.
The importance of feedback from the cosmic-rays on the hydrodynamical evolution of the remnants is debated as a possibility to obtain soft cosmic-ray spectra at low energies.
I performed spherically symmetric 1-D simulations with a modified version of the RATPaC code, in which I simultaneously solve the transport equation for cosmic rays and the hydrodynamical equations, including the back-reaction of the cosmic-ray pressure on the flow profiles.
Besides the known modification of the flow profiles and the consequently curved cosmic-ray spectra, steady-state models for non-linear diffusive shock acceleration overpredict the total compression ratio that can be reached with cosmic-ray feedback, as there is limited time for building these modifications. Further, I find modifications to the downstream flow structure that change the evolutionary behavior of the remnant and trigger a cosmic-ray-induced instability close to the contact discontinuity, if and when the cosmic-ray pressure becomes dominant there.
Function by structure
(2015)
Additive manufacturing (AM) processes enable the production of metal structures with exceptional design freedom, of which laser powder bed fusion (PBF-LB) is one of the most common. In this process, a laser melts a bed of loose feedstock powder particles layer-by-layer to build a structure with the desired geometry. During fabrication, the repeated melting and rapid, directional solidification create large temperature gradients that generate large thermal stress. This thermal stress can itself lead to cracking or delamination during fabrication. More often, large residual stresses remain in the final part as a footprint of the thermal stress. This residual stress can cause premature distortion or even failure of the part in service. Hence, knowledge of the residual stress field is critical for both process optimization and structural integrity.
Diffraction-based techniques allow the non-destructive characterization of the residual stress fields. However, such methods require a good knowledge of the material of interest, as certain assumptions must be made to accurately determine residual stress. First, the measured lattice plane spacings must be converted to lattice strains with the knowledge of a strain-free material state. Second, the measured lattice strains must be related to the macroscopic stress using Hooke's law, which requires knowledge of the stiffness of the material. Since most crystal structures exhibit anisotropic material behavior, the elastic behavior is specific to each lattice plane of the single crystal. Thus, the use of individual lattice planes in monochromatic diffraction residual stress analysis requires knowledge of the lattice plane-specific elastic properties. In addition, knowledge of the microstructure of the material is required for a reliable assessment of residual stress.
This work presents a toolbox for reliable diffraction-based residual stress analysis. This is presented for a nickel-based superalloy produced by PBF-LB. First, this work reviews the existing literature in the field of residual stress analysis of laser-based AM using diffraction-based techniques. Second, the elastic and plastic anisotropy of the nickel-based superalloy Inconel 718 produced by PBF-LB is studied using in situ energy dispersive synchrotron X-ray and neutron diffraction techniques. These experiments are complemented by ex situ material characterization techniques. These methods establish the relationship between the microstructure and texture of the material and its elastic and plastic anisotropy. Finally, surface, sub-surface, and bulk residual stress are determined using a texture-based approach. Uncertainties of different methods for obtaining stress-free reference values are discussed.
The tensile behavior in the as-built condition is shown to be controlled by texture and cellular sub-grain structure, while in the heat-treated condition the precipitation of strengthening phases and grain morphology dictate the behavior. In fact, the results of this thesis show that the diffraction elastic constants depend on the underlying microstructure, including texture and grain morphology. For columnar microstructures in both as-built and heat-treated conditions, the diffraction elastic constants are best described by the Reuss iso-stress model. Furthermore, the low accumulation of intergranular strains during deformation demonstrates the robustness of using the 311 reflection for the diffraction-based residual stress analysis with columnar textured microstructures. The differences between texture-based and quasi-isotropic approaches for the residual stress analysis are shown to be insignificant in the observed case. However, the analysis of the sub-surface residual stress distributions show, that different scanning strategies result in a change in the orientation of the residual stress tensor. Furthermore, the location of the critical sub-surface tensile residual stress is related to the surface roughness and the microstructure. Finally, recommendations are given for the diffraction-based determination and evaluation of residual stress in textured additively manufactured alloys.
One of the most significant current discussions in Astrophysics relates to the origin of high-energy cosmic rays. According to our current knowledge, the abundance distribution of the elements in cosmic rays at their point of origin indicates, within plausible error limits, that they were initially formed by nuclear processes in the interiors of stars. It is also believed that their energy distribution up to 1018 eV has Galactic origins. But even though the knowledge about potential sources of cosmic rays is quite poor above „ 1015 eV, that is the “knee” of the cosmic-ray spectrum, up to the knee there seems to be a wide consensus that supernova remnants are the most likely candidates. Evidence of this comes from observations of non-thermal X-ray radiation, requiring synchrotron electrons with energies up to 1014 eV, exactly in the remnant of supernovae. To date, however, there is not conclusive evidence that they produce nuclei, the dominant component of cosmic rays, in addition to electrons. In light of this dearth of evidence, γ-ray observations from supernova remnants can offer the most promising direct way to confirm whether or not these astrophysical objects are indeed the main source of cosmic-ray nuclei below the knee. Recent observations with space- and ground-based observatories have established shell-type supernova remnants as GeV-to- TeV γ-ray sources. The interpretation of these observations is however complicated by the different radiation processes, leptonic and hadronic, that can produce similar fluxes in this energy band rendering ambiguous the nature of the emission itself. The aim of this work is to develop a deeper understanding of these radiation processes from a particular shell-type supernova remnant, namely RX J1713.7–3946, using observations of the LAT instrument onboard the Fermi Gamma-Ray Space Telescope. Furthermore, to obtain accurate spectra and morphology maps of the emission associated with this supernova remnant, an improved model of the diffuse Galactic γ-ray emission background is developed. The analyses of RX J1713.7–3946 carried out with this improved background show that the hard Fermi-LAT spectrum cannot be ascribed to the hadronic emission, leading thus to the conclusion that the leptonic scenario is instead the most natural picture for the high-energy γ-ray emission of RX J1713.7–3946. The leptonic scenario however does not rule out the possibility that cosmic-ray nuclei are accelerated in this supernova remnant, but it suggests that the ambient density may not be high enough to produce a significant hadronic γ-ray emission. Further investigations involving other supernova remnants using the improved back- ground developed in this work could allow compelling population studies, and hence prove or disprove the origin of Galactic cosmic-ray nuclei in these astrophysical objects. A break- through regarding the identification of the radiation mechanisms could be lastly achieved with a new generation of instruments such as CTA.
The evolution of a galaxy is pivotally governed by its pattern of star formation over a given period of time. The star formation rate at any given time is strongly dependent on the amount of cold gas available in the galaxy. Accretion of pristine gas from the Intergalactic medium (IGM) is thought to be one of the primary sources for star-forming gas. This gas first passes through the virial regions of the galaxy before reaching the Interstellar medium (ISM), the hub of star formation. On the other hand, owing to the evolutionary course of young and massive stars, energetic winds are ejected from the ISM to the virial regions of the galaxy. A bunch of interlinked, complex astrophysical processes, arising from the concurrent presence of both infalling as well as outbound gas, play out over a range of timescales in the halo region or the Circumgalactic medium (CGM) of a galaxy. It would not be incorrect to say that the CGM has a stronghold over the gas reserves of a galaxy and thus, plays a backhand, yet, rather pivotal role in shaping many galactic properties, some of which are also readily observable. Observing the multi-phase CGM (via spectral-line ion measurements), however, remains a non-trivial effort even today. Low particle densities as well as the CGM’s vast spatial extent, coupled with likely deviations from a spherical distribution, marr the possibility of obtaining complete, unbiased, high-quality spectral information tracing the full extent of the gaseous halo. This often incomplete information leads to multiple inferences about the CGM properties that give rise to multiple contradicting models. In this regard, computer simulations offer a neat solution towards testing and, subsequently, falsifying many of these existing CGM models. Thanks to their controlled environments, simulations are able to not only effortlessly transcend several orders of magnitude in time and space, but also get around many of the observational limitations and provide some unique views on many CGM properties. In this thesis, I focus on effectively using different computer simulations to understand the role of CGM in various astrophysical contexts, namely, the effect of Local Group (LG) environment, major merger events and satellite galaxies. In Chapter 2, I discuss the approach used for modeling various phases of the simulated z = 0 LG CGM in Hestia constrained simulations. Each of the three realizations contain a Milky Way (MW)–Andromeda (M31) galaxy pair, along with their corresponding sets of satellite galaxies, all embedded within the larger cosmological context. For characterizing the different temperature–density phases within the CGM, I model five tracer ions with cloudy ionization modeling. The cold and cool–ionized CGM (H i and Si iii respectively) in Hestia is very clumpy and distributed close to the galactic centers, while the warm-hot and hot CGM (O vi, O vii and O viii) is tenuous and volume-filling. On comparing the H i and Si iii column densities for the simulated M31 with observational measurements from Project AMIGA survey and other low-z galaxies, I found that Hestia galaxies produced less gas in the outer CGM, unlike observations. My carefully designed observational bias model subsequently revealed the possibility that some MW gas clouds might be incorrectly associated with the M31 CGM in observations, and hence, may be partly responsible for giving rise to the detected mismatch between simulated data and observations. In Chapter 3, I present results from four zoom–in, major merger, gas–rich simulations and the subsequent role of the gas, originally situated in the CGM, in influencing some of the galactic observables. The progenitor parameters are selected such that the post–merger remnants are MW–mass galaxies. We generally see a very clear gas bridge joining the merging galaxies in case of multiple passage mergers while such a bridge is mostly absent when a direct collision occurs. On the basis of particle–to–galaxy distance computations and tracer particle analysis, I found that about 33–48 percent of the cold gas contributing to the merger–induced star formation in the bridge originated from the CGM regions. In Chapter 4, I used a sample of 234 MW-mass, L* galaxies from the TNG50 cosmological simulations, with an aim of characterizing the impact of their global satellite populations on the extended cold CGM properties of their host L* halos. On the basis of halo mass and number of satellite galaxies (N_sats ), I categorized the sample into low and high mass bins, and subsequently into bottom, inter and top quartiles respectively. After confirming that satellites indeed influence the extended cold halo gas density profiles of the host galaxies, I investigated the effects of different satellite population parameters on the host halo cold CGMs. My analysis showed that there is hardly any cold gas associated with the satellite population of the lowest mass halos. The stellar mass of the most massive satellite (M_*mms ) impacted the cold gas in low mass bin halos the most, while N_sats (followed by M_*mms ) was the most influential factor for the high mass halos. In any case, how easily cold gas was stripped off the most massive satellite did not play much role. The number of massive (Stellar mass, M* > 10^8 M_solar) satellites as well as the M_*mms associated with a galaxy are two of the most crucial parameters determining how much cold gas ultimately finds its way from the satellites to the host halo. Low mass galaxies are found rather lacking on both these fronts unlike their high mass counterparts. This work highlights some aspects of the complex gas physics that constitute the basic essence of a low-z CGM. My analysis proved the importance of a cosmological environment, local surroundings and merger history in defining some key observable properties of a galactic CGM. Furthermore, I found that different satellite properties were responsible for affecting the cold–dense CGM of the low and high-mass parent galaxies. Finally, the LG emerged as an exciting prospect for testing and pinning down several intricate details about the CGM.
A dramatic efficiency improvement of bulk heterojunction solar cells based on electron-donating conjugated polymers in combination with soluble fullerene derivatives has been achieved over the past years. Certified and reported power conversion efficiencies now reach over 9% for single junctions and exceed the 10% benchmark for tandem solar cells. This trend brightens the vision of organic photovoltaics becoming competitive with inorganic solar cells including the realization of low-cost and large-area organic photovoltaics. For the best performing organic materials systems, the yield of charge generation can be very efficient. However, a detailed understanding of the free charge carrier generation mechanisms at the donor acceptor interface and the energy loss associated with it needs to be established. Moreover, organic solar cells are limited by the competition between charge extraction and free charge recombination, accounting for further efficiency losses. A conclusive picture and the development of precise methodologies for investigating the fundamental processes in organic solar cells are crucial for future material design, efficiency optimization, and the implementation of organic solar cells into commercial products.
In order to advance the development of organic photovoltaics, my thesis focuses on the comprehensive understanding of charge generation, recombination and extraction in organic bulk heterojunction solar cells summarized in 6 chapters on the cumulative basis of 7 individual publications.
The general motivation guiding this work was the realization of an efficient hybrid inorganic/organic tandem solar cell with sub-cells made from amorphous hydrogenated silicon and organic bulk heterojunctions. To realize this project aim, the focus was directed to the low band-gap copolymer PCPDTBT and its derivatives, resulting in the examination of the charge carrier dynamics in PCPDTBT:PC70BM blends in relation to by the blend morphology. The phase separation in this blend can be controlled by the processing additive diiodooctane, enhancing domain purity and size. The quantitative investigation of the free charge formation was realized by utilizing and improving the time delayed collection field technique. Interestingly, a pronounced field dependence of the free carrier generation for all blends is found, with the field dependence being stronger without the additive. Also, the bimolecular recombination coefficient for both blends is rather high and increases with decreasing internal field which we suggest to be caused by a negative field dependence of mobility. The additive speeds up charge extraction which is rationalized by the threefold increase in mobility.
By fluorine attachment within the electron deficient subunit of PCPDTBT, a new polymer F-PCPDTBT is designed. This new material is characterized by a stronger tendency to aggregate as compared to non-fluorinated PCPDTBT. Our measurements show that for F-PCPDTBT:PCBM blends the charge carrier generation becomes more efficient and the field-dependence of free charge carrier generation is weakened. The stronger tendency to aggregate induced by the fluorination also leads to increased polymer rich domains, accompanied in a threefold reduction in the non-geminate recombination coefficient at conditions of open circuit. The size of the polymer domains is nicely correlated to the field-dependence of charge generation and the Langevin reduction factor, which highlights the importance of the domain size and domain purity for efficient charge carrier generation. In total, fluorination of PCPDTBT causes the PCE to increase from 3.6 to 6.1% due to enhanced fill factor, short circuit current and open circuit voltage. Further optimization of the blend ratio, active layer thickness, and polymer molecular weight resulted in 6.6% efficiency for F-PCPDTBT:PC70BM solar cells.
Interestingly, the double fluorinated version 2F-PCPDTBT exhibited poorer FF despite a further reduction of geminate and non-geminate recombination losses. To further analyze this finding, a new technique is developed that measures the effective extraction mobility under charge carrier densities and electrical fields comparable to solar cell operation conditions. This method involves the bias enhanced charge extraction technique. With the knowledge of the carrier density under different electrical field and illumination conditions, a conclusive picture of the changes in charge carrier dynamics leading to differences in the fill factor upon fluorination of PCPDTBT is attained. The more efficient charge generation and reduced recombination with fluorination is counterbalanced by a decreased extraction mobility. Thus, the highest fill factor of 60% and efficiency of 6.6% is reached for F-PCPDTBT blends, while 2F-PCPDTBT blends have only moderate fill factors of 54% caused by the lower effective extraction mobility, limiting the efficiency to 6.5%.
To understand the details of the charge generation mechanism and the related losses, we evaluated the yield and field-dependence of free charge generation using time delayed collection field in combination with sensitive measurements of the external quantum efficiency and absorption coefficients for a variety of blends. Importantly, both the yield and field-dependence of free charge generation is found to be unaffected by excitation energy, including direct charge transfer excitation below the optical band gap. To access the non-detectable absorption at energies of the relaxed charge transfer emission, the absorption was reconstructed from the CT emission, induced via the recombination of thermalized charges in electroluminescence. For a variety of blends, the quantum yield at energies of charge transfer emission was identical to excitations with energies well above the optical band-gap. Thus, the generation proceeds via the split-up of the thermalized charge transfer states in working solar cells. Further measurements were conducted on blends with fine-tuned energy levels and similar blend morphologies by using different fullerene derivatives. A direct correlation between the efficiency of free carrier generation and the energy difference of the relaxed charge transfer state relative to the energy of the charge separated state is found. These findings open up new guidelines for future material design as new high efficiency materials require a minimum energetic offset between charge transfer and the charge separated state while keeping the HOMO level (and LUMO level) difference between donor and acceptor as small as possible.
Climate change affects societies across the globe in various ways. In addition to gradual changes in temperature and other climatic variables, global warming is likely to increase intensity and frequency of extreme weather events.
Beyond biophysical impacts, these also directly affect societal and economic activity. Additionally, indirect effects can occur; spatially, economic losses can spread along global supply-chains; temporally, climate impacts can change the economic development trajectory of countries.
This thesis first examines how climate change alters river flood risk and its local socio-economic implications. Then, it studies the global economic response to river floods in particular, and to climate change in general.
Changes in high-end river flood risk are calculated for the next three decades on a global scale with high spatial resolution. In order to account for uncertainties, this assessment makes use of an ensemble of climate and hydrological models as well as a river routing model, that is found to perform well regarding peak river discharge. The results show an increase in high-end flood risk in many parts of the world, which require profound adaptation efforts. This pressure to adapt is measured as the enhancement in protection level necessary to stay at historical high-end risk. In developing countries as well as in industrialized regions, a high pressure to adapt is observed - the former to increase low protection levels, the latter to maintain the low risk levels perceived in the past.
Further in this thesis, the global agent-based dynamic supply-chain model acclimate is developed. It models the cascading of indirect losses in the global supply network. As an anomaly model its agents - firms and consumers - maximize their profit locally to respond optimally to local perturbations. Incorporating quantities as well as prices on a daily basis, it is suitable to dynamically resolve the impacts of unanticipated climate extremes.
The model is further complemented by a static measure, which captures the inter-dependencies between sectors across regions that are only connected indirectly. These higher-order dependencies are shown to be important for a comprehensive assessment of loss-propagation and overall costs of local disasters.
In order to study the economic response to river floods, the acclimate model is driven by flood simulations. Within the next two decades, the increase in direct losses can only partially be compensated by market adjustments, and total losses are projected to increase by 17% without further adaptation efforts. The US and the EU are both shown to receive indirect losses from China, which is strongly affected directly. However, recent trends in the trade relations leave the EU in a better position to compensate for these losses.
Finally, this thesis takes a broader perspective when determining the investment response to the climate change damages employing the integrated assessment model DICE. On an optimal economic development path, the increase in damages is anticipated as emissions and consequently temperatures increase. This leads to a significant devaluation of investment returns and the income losses from climate damages almost double.
Overall, the results highlight the need to adapt to extreme weather events - local physical adaptation measures have to be combined with regional and global policy measures to prepare the global supply-chain network to climate change.
Magnetorotational instability (MRI) is one of the most important and most common instabilities in astrophysics. Today it is widely accepted that it serves as a major source of turbulent viscosity in accretion disks, the most energy efficient objects in the universe. The importance of the MRI for astrophysics has been realized only in recent fifteen years. However, originally it was discovered much earlier, in 1959, in a very different context. Theoretical flow of a conducting liquid confined between differentially rotating cylinders in the presence of an external magnetic field was analyzed. The central conclusion is that the additional magnetic field parallel to the axis of rotation can destabilize otherwise stable flow. Theory of non-magnetized fluid motion between rotating cylinders has much longer history, though. It has been studied already in 1888 and today such setup is usually referred as a Taylor-Couette flow. To prove experimentally the existence of MRI in a magnetized Taylor-Couette flow is a demanding task and different MHD groups around the world try to achieve it. The main problem lies in the fact that laboratory liquid metals which are used in such experiments are characterized by small magnetic Prandtl number. Consequently rotation rates of the cylinders must be extremely large and vast amount of technical problems emerge. One of the most important difficulties is an influence of plates enclosing the cylinders in any experiment. For fast rotation the plates tend to dominate the whole flow and the MRI can not be observed. In this thesis we discuss a special helical configuration of the applied magnetic field which allows the critical rotation rates to be much smaller. If only the axial magnetic field is present, the cylinders must rotate with angular velocities corresponding to Reynolds numbers of order Re ≈ 10^6. With the helical field this number is dramatically reduced to Re ≈ 10^3. The azimuthal component of the magnetic field can be easily generated by letting an electric current through the axis of rotation, In a Taylor-Couette flow the (primary) instability manifests itself as Taylor vortices. The specific geometry of the helical magnetic field leads to a traveling wave solution and the vortices are drifting in a direction determined by rotation and the magnetic field. In an idealized study for infinitely long cylinders this is not a problem. However, if the cylinders have finite length and are bounded vertically by the plates the situation is different. In this dissertation it is shown, with use of numerical methods, that the traveling wave solution also exists for MHD Taylor-Couette flow at finite aspect ratio H/D, H being height of the cylinders, D width of the gap between them. The nonlinear simulations provide amplitudes of fluid velocity which are helpful in designing an experiment. Although the plates disturb the flow, parameters like the drift velocity indicate that the helical MRI operates in this case. The idea of the helical MRI was implemented in a very recent experiment PROMISE. The results provided, for the first time, an evidence that the (helical) MRI indeed exists. Nevertheless, the influence of the vertical endplates was evident and the experiment can be, in principle, improved. Exemplary methods of reduction of the end-effect are here proposed. Near the vertical boundaries develops an Ekman-Hartmann layer. Study of this layer for the MHD Taylor-Couette system as well as its impact on the global flow properties is presented. It is shown that the plates, especially if they are conducting, can disturb the flow far more then previously thought also for relatively slow rotation rates.
The high-latitudinal thermospheric processes driven by the solar wind and Interplanetary Magnetic Field (IMF) interaction with the Earth magnetosphere are highly variable parts of the complex dynamic plasma environment, which represent the coupled Magnetosphere – Ionosphere – Thermosphere (MIT) system. The solar wind and IMF interactions transfer energy to the MIT system via reconnection processes at the magnetopause. The Field Aligned Currents (FACs) constitute the energetic links between the magnetosphere and the Earth ionosphere. The MIT system depends on the highly variable solar wind conditions, in particular on changes of the strength and orientation of the IMF.
In my thesis, I perform an investigation on the physical background of the complex MIT system using the global physical - numerical, three-dimensional, time-dependent and self-consistent Upper Atmosphere Model (UAM). This model describes the thermosphere, ionosphere, plasmasphere and inner magnetosphere as well as the electrodynamics of the coupled MIT system for the altitudinal range from 80 (60) km up to the 15 Earth radii.
In the present study, I developed and investigated several variants of the high-latitudinal electrodynamic coupling by including the IMF dependence of FACs into the UAM model. For testing, the various variants were applied to simulations of the coupled MIT system for different seasons, geomagnetic activities, various solar wind and IMF conditions. Additionally, these variants of the theoretical model with the IMF dependence were compared with global empirical models. The modelling results for the most important thermospheric parameters like neutral wind and mass density were compared with satellite measurements. The variants of the UAM model with IMF dependence show a good agreement with the satellite observations. In comparison with the empirical models, the improved variants of the UAM model reproduce a more realistic meso-scale structures and dynamics of the coupled MIT system than the empirical models, in particular at high latitudes. The new configurations of the UAM model with IMF dependence contribute to the improvement of space weather prediction.
Particles in Saturn’s main rings range in size from dust to even kilometer-sized objects. Their size distribution is thought to be a result of competing accretion and fragmentation processes. While growth is naturally limited in tidal environments, frequent collisions among these objects may contribute to both accretion and fragmentation. As ring particles are primarily made of water ice attractive surface forces like adhesion could significantly influence these processes, finally determining the resulting size distribution. Here, we derive analytic expressions for the specific self-energy Q and related specific break-up energy Q⋆ of aggregates. These expressions can be used for any aggregate type composed of monomeric constituents. We compare these expressions to numerical experiments where we create aggregates of various types including: regular packings like the face-centered cubic (fcc), Ballistic Particle Cluster Aggregates (BPCA), and modified BPCAs including e.g. different constituent size distributions. We show that accounting for attractive surface forces such as adhesion a simple approach is able to: a) generally account for the size dependence of the specific break-up energy for fragmentation to occur reported in the literature, namely the division into “strength” and “gravity” regimes, and b) estimate the maximum aggregate size in a collisional ensemble to be on the order of a few meters, consistent with the maximum aggregate size observed in Saturn’s rings of about 10m.