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- Institut für Physik und Astronomie (218) (remove)
We investigate properties of quantum mechanical systems in the light of quantum information theory. We put an emphasize on systems with infinite-dimensional Hilbert spaces, so-called continuous-variable systems'', which are needed to describe quantum optics beyond the single photon regime and other Bosonic quantum systems. We present methods to obtain a description of such systems from a series of measurements in an efficient manner and demonstrate the performance in realistic situations by means of numerical simulations. We consider both unconditional quantum state tomography, which is applicable to arbitrary systems, and tomography of matrix product states. The latter allows for the tomography of many-body systems because the necessary number of measurements scales merely polynomially with the particle number, compared to an exponential scaling in the generic case. We also present a method to realize such a tomography scheme for a system of ultra-cold atoms in optical lattices. Furthermore, we discuss in detail the possibilities and limitations of using continuous-variable systems for measurement-based quantum computing. We will see that the distinction between Gaussian and non-Gaussian quantum states and measurements plays an crucial role. We also provide an algorithm to solve the large and interesting class of naturally occurring Hamiltonians, namely frustration free ones, efficiently and use this insight to obtain a simple approximation method for slightly frustrated systems. To achieve this goals, we make use of, among various other techniques, the well developed theory of matrix product states, tensor networks, semi-definite programming, and matrix analysis.
One of the most exciting predictions of Einstein's theory of gravitation that have not yet been proven experimentally by a direct detection are gravitational waves. These are tiny distortions of the spacetime itself, and a world-wide effort to directly measure them for the first time with a network of large-scale laser interferometers is currently ongoing and expected to provide positive results within this decade. One potential source of measurable gravitational waves is the inspiral and merger of two compact objects, such as binary black holes. Successfully finding their signature in the noise-dominated data of the detectors crucially relies on accurate predictions of what we are looking for. In this thesis, we present a detailed study of how the most complete waveform templates can be constructed by combining the results from (A) analytical expansions within the post-Newtonian framework and (B) numerical simulations of the full relativistic dynamics. We analyze various strategies to construct complete hybrid waveforms that consist of a post-Newtonian inspiral part matched to numerical-relativity data. We elaborate on exsisting approaches for nonspinning systems by extending the accessible parameter space and introducing an alternative scheme based in the Fourier domain. Our methods can now be readily applied to multiple spherical-harmonic modes and precessing systems. In addition to that, we analyze in detail the accuracy of hybrid waveforms with the goal to quantify how numerous sources of error in the approximation techniques affect the application of such templates in real gravitational-wave searches. This is of major importance for the future construction of improved models, but also for the correct interpretation of gravitational-wave observations that are made utilizing any complete waveform family. In particular, we comprehensively discuss how long the numerical-relativity contribution to the signal has to be in order to make the resulting hybrids accurate enough, and for currently feasible simulation lengths we assess the physics one can potentially do with template-based searches.
Clumped stellar winds in supergiant high-mass X-ray binaries: X-ray variability and photoionization
(2012)
The clumping of massive star winds is an established paradigm, which is confirmed by multiple lines of evidence and is supported by stellar wind theory. The purpose of this paper is to bridge the gap between detailed models of inhomogeneous stellar winds in single stars and the phenomenological description of donor winds in supergiant high-mass X-ray binaries (HMXBs). We use the results from time-dependent hydrodynamical models of the instability in the line-driven wind of a massive supergiant star to derive the time-dependent accretion rate on to a compact object in the BondiHoyleLyttleton approximation. The strong density and velocity fluctuations in the wind result in strong variability of the synthetic X-ray light curves. The model predicts a large-scale X-ray variability, up to eight orders of magnitude, on relatively short time-scales. The apparent lack of evidence for such strong variability in the observed HMXBs indicates that the details of the accretion process act to reduce the variability resulting from the stellar wind velocity and density jumps.
We consider the mean first-passage time of a random walker moving in a potential landscape on a finite interval, the starting and end points being at different potentials. From analytical calculations and Monte Carlo simulations we demonstrate that the mean first-passage time for a piecewise linear curve between these two points is minimized by the introduction of a potential barrier. Due to thermal fluctuations, this barrier may be crossed. It turns out that the corresponding expense for this activation is less severe than the gain from an increased slope towards the end point. In particular, the resulting mean first-passage time is shorter than for a linear potential drop between the two points.
Employing impedance spectroscopy, we have studied the hole density, conductivity, and mobility of poly(3-hexylthiophene), P3HT, doped with the strong molecular acceptor tetrafluorotetracyanoquinodimethane, F(4)TCNQ. We find that the hole density increases linearly with the F(4)TCNQ concentration. Furthermore, the hole mobility is decreased upon doping at low-to-medium doping level, which is rationalized by an analytic model of carrier mobility in doped organic semiconductors [V. I. Arkhipov, E. V. Emelianova, P. Heremans, and H. Bassler, Phys. Rev. B 72, 235202 (2005)]. We infer that the presence of ionized F(4)TCNQ molecules in the P3HT layer increases energetic disorder, which diminishes the carrier mobility.
Context. Young supernova remnants (SNRs) exhibit narrow filaments of non-thermal X-ray emission whose widths can be limited either by electron energy losses or damping of the magnetic field.
Aims. We want to investigate whether or not different models of these filaments can be observationally tested.
Methods. Using observational parameters of four historical remnants, we calculated the filament profiles and compared the spectra of the filaments with those of the total non-thermal emission. For that purpose, we solved a one-dimensional stationary transport equation for the isotropic differential number density of the electrons.
Results. We find that the difference between the spectra of filament and total non-thermal emission above 1 keV is more pronounced in the damping model than in the energy-loss model.
Conclusions. A considerable damping of the magnetic field can result in an observable difference between the spectra of filament and total non-thermal emission, thus potentially permitting an observational discrimination between the energy-loss model and the damping model of the X-ray filaments.
Cold gas accretion by high-velocity clouds and their connection to QSO Absorption-line systems
(2012)
We combine H I 21 cm observations of the Milky Way, M31, and the local galaxy population with QSO absorption-line measurements to geometrically model the three-dimensional distribution of infalling neutral-gas clouds ("high-velocity clouds" (HVCs)) in the extended halos of low-redshift galaxies. We demonstrate that the observed distribution of HVCs around the Milky Way and M31 can be modeled by a radial exponential decline of the mean H I volume-filling factor in their halos. Our model suggests a characteristic radial extent of HVCs of R-halo similar to 50 kpc, a total H I mass in HVCs of similar to 10(8) M-circle dot, and a neutral-gas accretion rate of similar to 0.7 M-circle dot yr(-1) for M31/Milky-Way-type galaxies. Using a Holmberg-like luminosity scaling of the halo size of galaxies we estimate R-halo similar to 110 kpc for the most massive galaxies. The total absorption cross-section of HVCs at z approximate to 0 most likely is dominated by galaxies with total H I masses between 10(8.5) and 10(10) M-circle dot. Our model indicates that the H I disks of galaxies and their surrounding HVC population can account for 30%-100% of intervening QSO absorption-line systems with log N(H I) >= 17.5 at z approximate to 0. We estimate that the neutral-gas accretion rate density of galaxies at low redshift from infalling HVCs is dM(H) (I)/dt/dV approximate to 0.022 M-circle dot yr(-1) Mpc(-3), which is close to the measured star formation rate density in the local universe. HVCs thus may play an important role in the ongoing formation and evolution of galaxies.
In this work, we show how Gibbs or thermal states appear dynamically in closed quantum many-body systems, building on the program of dynamical typicality. We introduce a novel perturbation theorem for physically relevant weak system-bath couplings that is applicable even in the thermodynamic limit. We identify conditions under which thermalization happens and discuss the underlying physics. Based on these results, we also present a fully general quantum algorithm for preparing Gibbs states on a quantum computer with a certified runtime and error bound. This complements quantum Metropolis algorithms, which are expected to be efficient but have no known runtime estimates and only work for local Hamiltonians.
Electroactive polymers can be used for actuators with many desirable features, including high electromechanical energy density, low weight, compactness, direct voltage control, and complete silence during actuation. These features may enable personalized robotics with much higher ability to delicately manipulate their surroundings than can be achieved with currently available actuators; however, much work is still necessary to enhance the electroactive materials. Electric field-driven actuator materials are improved by an increase in permittivity and by a reduction in stiffness. Here, a synergistic enhancement method based on a macromolecular plasticizing filler molecule with a combination of both high dipole moment and compatibilizer moieties, synthesized to simultaneously ensure improvement of electromechanical properties and compatibility with the host matrix is presented. Measurements show an 85% increase in permittivity combined with 290% reduction in mechanical stiffness. NMR measurements confirm the structure of the filler while DSC measurements confirm that it is compatible with the host matrix at all the mixture ratios investigated. Actuation strain measurements in the pure shear configuration display an increase in sensitivity to the electrical field of more than 450%, confirming that the filler molecule does not only improve dielectric and mechanical properties, it also leads to a synergistic enhancement of actuation properties by simple means.
Dielectric elastomer actuators (DEAs) draw their function from their dielectric and mechanical properties. The paper describes the fabrication and various properties of molecularly grafted silicone elastomer films. This was achieved by addition of high-dipole molecular co-substituents to off-the-shelf silicone elastomer kits, Elastosil RT 625 and Sylgard 184 by Wacker and Dow Corning, respectively. Strong push-pull dipoles were chemically grafted to both polymer networks during a one step film formation process. All manufactured films were characterized using (13) C-NMR and FT-IR spectroscopy, confirming a successful attachment of the dipoles to the silicone network. Differential scanning calorimetry (DSC) results showed that grafted dipoles were distributed homogeneously throughout the material avoiding the formation of nano-scale aggregates. The permittivity increased with the amount of dipole at all frequencies, while the Young's modulus and electrical breakdown strength were reduced. Actuation strain measurements in the pure shear configuration independently confirmed the increase in electromechanical sensitivity. The ability to enhance electromechanical properties of off-the-shelf materials could strongly expand the range of actuator properties available to researchers and end-users.
Tensorial spacetime geometries carrying predictive, interpretable and quantizable matter dynamics
(2012)
Which tensor fields G on a smooth manifold M can serve as a spacetime structure? In the first part of this thesis, it is found that only a severely restricted class of tensor fields can provide classical spacetime geometries, namely those that can carry predictive, interpretable and quantizable matter dynamics. The obvious dependence of this characterization of admissible tensorial spacetime geometries on specific matter is not a weakness, but rather presents an insight: it was Maxwell theory that justified Einstein to promote Lorentzian manifolds to the status of a spacetime geometry. Any matter that does not mimick the structure of Maxwell theory, will force us to choose another geometry on which the matter dynamics of interest are predictive, interpretable and quantizable. These three physical conditions on matter impose three corresponding algebraic conditions on the totally symmetric contravariant coefficient tensor field P that determines the principal symbol of the matter field equations in terms of the geometric tensor G: the tensor field P must be hyperbolic, time-orientable and energy-distinguishing. Remarkably, these physically necessary conditions on the geometry are mathematically already sufficient to realize all kinematical constructions familiar from Lorentzian geometry, for precisely the same structural reasons. This we were able to show employing a subtle interplay of convex analysis, the theory of partial differential equations and real algebraic geometry. In the second part of this thesis, we then explore general properties of any hyperbolic, time-orientable and energy-distinguishing tensorial geometry. Physically most important are the construction of freely falling non-rotating laboratories, the appearance of admissible modified dispersion relations to particular observers, and the identification of a mechanism that explains why massive particles that are faster than some massless particles can radiate off energy until they are slower than all massless particles in any hyperbolic, time-orientable and energy-distinguishing geometry. In the third part of the thesis, we explore how tensorial spacetime geometries fare when one wants to quantize particles and fields on them. This study is motivated, in part, in order to provide the tools to calculate the rate at which superluminal particles radiate off energy to become infraluminal, as explained above. Remarkably, it is again the three geometric conditions of hyperbolicity, time-orientability and energy-distinguishability that allow the quantization of general linear electrodynamics on an area metric spacetime and the quantization of massive point particles obeying any admissible dispersion relation. We explore the issue of field equations of all possible derivative order in rather systematic fashion, and prove a practically most useful theorem that determines Dirac algebras allowing the reduction of derivative orders. The final part of the thesis presents the sketch of a truly remarkable result that was obtained building on the work of the present thesis. Particularly based on the subtle duality maps between momenta and velocities in general tensorial spacetimes, it could be shown that gravitational dynamics for hyperbolic, time-orientable and energy distinguishable geometries need not be postulated, but the formidable physical problem of their construction can be reduced to a mere mathematical task: the solution of a system of homogeneous linear partial differential equations. This far-reaching physical result on modified gravity theories is a direct, but difficult to derive, outcome of the findings in the present thesis. Throughout the thesis, the abstract theory is illustrated through instructive examples.
We study the properties of energy spreading in a lattice of elastically colliding harmonic oscillators (Ding-Dong model). We demonstrate that in the regular lattice the spreading from a localized initial state is mediated by compactons and chaotic breathers. In a disordered lattice, the compactons do not exist, and the spreading eventually stops, resulting in a finite configuration with a few chaotic spots.
During life bones constantly adapt their structure to their mechanical environment via a mechanically controlled process called bone remodeling. For trabecular bone, this process modifies the thickness of each trabecula leading occasionally to full resorption. We describe the irreversible dynamics of the trabecular thickness distribution (TTD) by means of a Markov chain discrete in space and time. By using thickness data from adult patients, we derive the transition probabilities in the chain. This allows a quantification, in terms of geometrical quantities, of the control of bone remodeling and thus to determine the evolution of the TTD with age.
Ferroelectrets have been fabricated from low-density polyethylene (LDPE) films by means of a template-based lamination. The temperature dependence of the piezoelectric d(33) coefficient has been investigated. It was found that low-density polyethylene ferroelectrets have rather low thermal stability with the piezoelectric coefficient decaying almost to zero already at 100 degrees C. This behavior is attributed to the poor electret properties of the polyethylene films used for the fabrication of the ferroelectrets. In order to improve the charge trapping and the thermal stability of electret charge and piezoelectricity, LDPE ferroelectrets were treated with orthophosphoric acid. The treatment resulted in considerable improvements of the charge stability in LDPE films and in ferroelectret systems made from them. For example, the charge and piezoelectric-coefficient decay curves shifted to higher temperatures by 60 K and 40 K, respectively. It is shown that the decay of the piezoelectric coefficient in LDPE ferroelectrets is governed by the relaxation of less stable positive charges. The treatment also leads to noticeable changes in the chemical composition of the LDPE surface. Infrared spectroscopy reveals absorption bands attributed to phosphorus-containing structures, while scanning electron microscopy shows new island-like structures, 50-200 nm in diameter, on the modified surface.
Enhanced electret charge stability on Polyethylene Films treated with Titanium-Tetrachloride vapor
(2012)
Low-density polyethylene (LDPE) films have been treated with titanium-tetrachloride vapor by means of the molecular-layer-deposition method. It is shown that such a treatment leads to a considerable improvement of the electret properties for both positively and negatively charged films. The temperature stability of the electret homo-charge has been increased by approximately 60 degrees C. At the same time, the temporal stability of charge is also considerably improved. Modified low-density polyethylene films show no "cross-over phenomenon" when charged to higher voltages. Thus, it is now possible to produce electrets from polyethylene films with high initial charge densities, but without a strongly reduced charge stability. The influence of a chemical treatment with titanium-tetrachloride vapor on charge injection from aluminum electrodes into polyethylene films was also investigated. It is found that the interface between an aluminum electrode and a modified LDPE surface layer has different injection properties for positive and negative charges. Electrons can be injected across the modified interface, whereas injection of holes is either very limited or non-existent.
Chemical and physical surface modification of PTFE films-an approach to produce stable electrets
(2012)
The thermal stability of positive charge has been investigated in chemically and physically treated polytetrafluoroethylene (PTFE) films. It has been found that virgin films, oriented by the manufacturer, display an increase in thermal stability of positive charge with an increase of the initial value of surface potential. Such an anomalous behavior is explained by the influence of a negative tribocharge, trapped some small distance below the surface. In PTFE samples treated with orthophosphoric acid and with tetraethoxysilane, a considerable improvement of positive charge stability has been achieved, but no influence of the initial value of surface potential has been observed. However, this influence should be kept in mind when comparing charge stability in virgin and modified samples. In nonoriented PTFE films, no influence of the initial value of surface potential on charge stability has been observed. This could be due to the fact that these films did not possess a noticeable negative tribocharge. After the treatment in glow-discharge defluorination, oxidation and appearance of polar groups have been detected on the surface. These changes in chemical composition of a PTFE surface resulted in a noticeable improvement in thermal stability of positively charged electrets. This improvement is attributed to the formation of deeper traps on the modified surface.
Current models for molecular electrical doping of organic semiconductors are found to be at odds with other well-established concepts in that field, like polaron formation. Addressing these inconsistencies for prototypical systems, we present experimental and theoretical evidence for intermolecular hybridization of organic semiconductor and dopant frontier molecular orbitals. Common doping-related observations are attributed to this phenomenon, and controlling the degree of hybridization emerges as a strategy for overcoming the present limitations in the yield of doping-induced charge carriers.
The Galactic WC stars Stellar parameters from spectral analyses indicate a new evolutionary sequence
(2012)
Context. The life cycles of massive stars from the main sequence to their explosion as supernovae or gamma ray bursts are not yet fully clear, and the empirical results from spectral analyses are partly in conflict with current evolutionary models. The spectral analysis of Wolf-Rayet stars requires the detailed modeling of expanding stellar atmospheres in non-LTE. The Galactic WN stars have been comprehensively analyzed with such models of the latest stage of sophistication, while a similarly comprehensive study of the Galactic WC sample remains undone.
Aims. We aim to establish the stellar parameters and mass-loss rates of the Galactic WC stars. These data provide the empirical basis of studies of (i) the role of WC stars in the evolution of massive stars, (ii) the wind-driving mechanisms, and (iii) the feedback of WC stars as input to models of the chemical and dynamical evolution of galaxies.
Methods. We analyze the nearly complete sample of un-obscured Galactic WC stars, using optical spectra as well as ultraviolet spectra when available. The observations are fitted with theoretical spectra, using the Potsdam Wolf-Rayet (PoWR) model atmosphere code. A large grid of line-blanked models has been established for the range of WC subtypes WC4 - WC8, and smaller grids for the WC9 parameter domain. Both WO stars and WN/WC transit types are also analyzed using special models.
Results. Stellar and atmospheric parameters are derived for more than 50 Galactic WC and two WO stars, covering almost the whole Galactic WC population as far as the stars are single, and un-obscured in the visual. In the Hertzsprung-Russell diagram, the WC stars reside between the hydrogen and the helium zero-age main sequences, having luminosities L from 10(4.9) to 10(5.6) L-circle dot. The mass-loss rates scale very tightly with L-0.8. The two WO stars in our sample turn out to be outstandingly hot (approximate to 200 kK) and do not fit into the WC scheme.
Conclusions. By comparing the empirical WC positions in the Hertzsprung-Russell diagram with evolutionary models, and from recent supernova statistics, we conclude that WC stars have evolved from initial masses between 20 solar masses and 45 M-circle dot. In contrast to previous assumptions, it seems that WC stars in general do not descend from the most massive stars. Only the WO stars might stem from progenitors that have been initially more massive than 45 M-circle dot.
Velocity and displacement correlation functions for fractional generalized Langevin equations
(2012)
We study analytically a generalized fractional Langevin equation. General formulas for calculation of variances and the mean square displacement are derived. Cases with a three parameter Mittag-Leffler frictional memory kernel are considered. Exact results in terms of the Mittag-Leffler type functions for the relaxation functions, average velocity and average particle displacement are obtained. The mean square displacement and variances are investigated analytically. Asymptotic behaviors of the particle in the short and long time limit are found. The model considered in this paper may be used for modeling anomalous diffusive processes in complex media including phenomena similar to single file diffusion or possible generalizations thereof. We show the importance of the initial conditions on the anomalous diffusive behavior of the particle.
Aggregate formation in poly(3-hexylthiophene) depends on molecular weight, solvent, and synthetic method. The interplay of these parameters thus largely controls device performance. In order to obtain a quantitative understanding on how these factors control the resulting electronic properties of P3HT, we measured absorption in solution and in thin films as well as the resulting field effect mobility in transistors. By a detailed analysis of the absorption spectra, we deduce the fraction of aggregates formed, the excitonic coupling within the aggregates, and the conjugation length within the aggregates, all as a function of solvent quality for molecular weights from 5 to 19 kDa. From this, we infer in which structure the aggregated chains pack. Although the 5 kDa samples form straight chains, the 11 and 19 kDa chains are kinked or folded, with conjugation lengths that increase as the solvent quality reduces. There is a maximum fraction of aggregated chains (about 55 +/- 5%) that can be obtained, even for poor solvent quality. We show that inducing aggregation in solution leads to control of aggregate properties in thin films. As expected, the field-effect mobility correlates with the propensity to aggregation. Correspondingly, we find that a well-defined synthetic approach, tailored to give a narrow molecular weight distribution, is needed to obtain high field effect mobilities of up to 0.01 cm2/Vs for low molecular weight samples (=11 kDa), while the influence of synthetic method is negligible for samples of higher molecular weight, if low molecular weight fractions are removed by extraction.
In this work, a nonaqueous method is used to fabricate thin TiO2 layers. In contrast to the common aqueous sol-gel approach, our method yields layers of anatase nanocrystallites already at low temperature. Raman spectroscopy, electron microscopy and charge extraction by linearly increasing voltage are employed to study the effect of sintering temperature on the structural and electronic properties of the nanocrystalline TiO2 layer. Raising the sintering temperature from 120 to 600 A degrees C is found to alter the chemical composition, the layer's porosity and its surface but not the crystal phase. The room temperature mobility increases from 2 x 10(-6) to 3 x 10(-5) cm(2)/Vs when the sinter temperature is increased from 400 to 600 A degrees C, which is explained by a better interparticle connectivity. Solar cells comprising such nanoporous TiO2 layers and a soluble derivative of cyclohexylamino-poly(p-phenylene vinylene) were fabricated and studied with regard to their structural and photovoltaic properties. We found only weak polymer infiltration into the oxide layer for sintering temperatures up to 550 A degrees C, while the polymer penetrated deeply into titania layers that were sintered at 600 A degrees C. Best photovoltaic performance was reached with a nanoporous TiO2 film sintered at 550 A degrees C, which yielded a power conversion efficiency of 0.5 %. Noticeably, samples with the TiO2 layer dried at 120 A degrees C displayed short-circuit currents and open circuit voltages only about 15-20 % lower than for the most efficient devices, meaning that our nonaqueous route yields titania layers with reasonable transport properties even at low sintering temperatures.
Indian monsoon rainfall is vital for a large share of the world's population. Both reliably projecting India's future precipitation and unraveling abrupt cessations of monsoon rainfall found in paleorecords require improved understanding of its stability properties. While details of monsoon circulations and the associated rainfall are complex, full-season failure is dominated by large-scale positive feedbacks within the region. Here we find that in a comprehensive climate model, monsoon failure is possible but very rare under pre-industrial conditions, while under future warming it becomes much more frequent. We identify the fundamental intraseasonal feedbacks that are responsible for monsoon failure in the climate model, relate these to observational data, and build a statistically predictive model for such failure. This model provides a simple dynamical explanation for future changes in the frequency distribution of seasonal mean all-Indian rainfall. Forced only by global mean temperature and the strength of the Pacific Walker circulation in spring, it reproduces the trend as well as the multidecadal variability in the mean and skewness of the distribution, as found in the climate model. The approach offers an alternative perspective on large-scale monsoon variability as the result of internal instabilities modulated by pre-seasonal ambient climate conditions.
Normalization schemes for ultrafast x-ray diffraction using a table-top laser-driven plasma source
(2012)
We present an experimental setup of a laser-driven x-ray plasma source for femtosecond x-ray diffraction. Different normalization schemes accounting for x-ray source intensity fluctuations are discussed in detail. We apply these schemes to measure the temporal evolution of Bragg peak intensities of perovskite superlattices after ultrafast laser excitation.
Thawing of permafrost and the associated release of carbon constitutes a positive feedback in the climate system, elevating the effect of anthropogenic GHG emissions on global-mean temperatures. Multiple factors have hindered the quantification of this feedback, which was not included in climate carbon-cycle models which participated in recent model intercomparisons (such as the Coupled Carbon Cycle Climate Model Intercomparison Project - (CMIP)-M-4). There are considerable uncertainties in the rate and extent of permafrost thaw, the hydrological and vegetation response to permafrost thaw, the decomposition timescales of freshly thawed organic material, the proportion of soil carbon that might be emitted as carbon dioxide via aerobic decomposition or as methane via anaerobic decomposition, and in the magnitude of the high latitude amplification of global warming that will drive permafrost degradation. Additionally, there are extensive and poorly characterized regional heterogeneities in soil properties, carbon content, and hydrology. Here, we couple a new permafrost module to a reduced complexity carbon-cycle climate model, which allows us to perform a large ensemble of simulations. The ensemble is designed to span the uncertainties listed above and thereby the results provide an estimate of the potential strength of the feedback from newly thawed permafrost carbon. For the high CO2 concentration scenario (RCP8.5), 33-114 GtC (giga tons of Carbon) are released by 2100 (68% uncertainty range). This leads to an additional warming of 0.04-0.23 degrees C. Though projected 21st century permafrost carbon emissions are relatively modest, ongoing permafrost thaw and slow but steady soil carbon decomposition means that, by 2300, about half of the potentially vulnerable permafrost carbon stock in the upper 3 m of soil layer (600-1000 GtC) could be released as CO2, with an extra 1-4% being released as methane. Our results also suggest that mitigation action in line with the lower scenario RCP3-PD could contain Arctic temperature increase sufficiently that thawing of the permafrost area is limited to 9-23% and the permafrost-carbon induced temperature increase does not exceed 0.04-0.16 degrees C by 2300.
This thesis is focussed on the electronic properties of the new material class named topological insulators. Spin and angle resolved photoelectron spectroscopy have been applied to reveal several unique properties of the surface state of these materials. The first part of this thesis introduces the methodical background of these quite established experimental techniques.
In the following chapter, the theoretical concept of topological insulators is introduced. Starting from the prominent example of the quantum Hall effect, the application of topological invariants to classify material systems is illuminated. It is explained how, in presence of time reversal symmetry, which is broken in the quantum Hall phase, strong spin orbit coupling can drive a system into a topologically non trivial phase. The prediction of the spin quantum Hall effect in two dimensional insulators an the generalization to the three dimensional case of topological insulators is reviewed together with the first experimental realization of a three dimensional topological insulator in the Bi1-xSbx alloys given in the literature.
The experimental part starts with the introduction of the Bi2X3 (X=Se, Te) family of materials. Recent theoretical predictions and experimental findings on the bulk and surface electronic structure of these materials are introduced in close discussion to our own experimental results. Furthermore, it is revealed, that the topological surface state of Bi2Te3 shares its orbital symmetry with the bulk valence band and the observation of a temperature induced shift of the chemical potential is to a high probability unmasked as a doping effect due to residual gas adsorption.
The surface state of Bi2Te3 is found to be highly spin polarized with a polarization value of about 70% in a macroscopic area, while in Bi2Se3 the polarization appears reduced, not exceeding 50%. We, however, argue that the polarization is most likely only extrinsically limited in terms of the finite angular resolution and the lacking detectability of the out of plane component of the electron spin. A further argument is based on the reduced surface quality of the single crystals after cleavage and, for Bi2Se3 a sensitivity of the electronic structure to photon exposure.
We probe the robustness of the topological surface state in Bi2X3 against surface impurities in Chapter 5. This robustness is provided through the protection by the time reversal symmetry. Silver, deposited on the (111) surface of Bi2Se3 leads to a strong electron doping but the surface state is observed up to a deposited Ag mass equivalent to one atomic monolayer. The opposite sign of doping, i.e., hole-like, is observed by exposing oxygen to Bi2Te3. But while the n-type shift of Ag on Bi2Se3 appears to be more or less rigid, O2 is lifting the Dirac point of the topological surface state in Bi2Te3 out of the valence band minimum at $\Gamma$. After increasing the oxygen dose further, it is possible to shift the Dirac point to the Fermi level, while the valence band stays well beyond. The effect is found reversible, by warming up the samples which is interpreted in terms of physisorption of O2.
For magnetic impurities, i.e., Fe, we find a similar behavior as for the case of Ag in both Bi2Se3 and Bi2Te3. However, in that case the robustness is unexpected, since magnetic impurities are capable to break time reversal symmetry which should introduce a gap in the surface state at the Dirac point which in turn removes the protection. We argue, that the fact that the surface state shows no gap must be attributed to a missing magnetization of the Fe overlayer. In Bi2Te3 we are able to observe the surface state for deposited iron mass equivalents in the monolayer regime. Furthermore, we gain control over the sign of doping through the sample temperature during deposition.
Chapter6 is devoted to the lifetime broadening of the photoemission signal from the topological surface states of Bi2Se3 and Bi2Te3. It is revealed that the hexagonal warping of the surface state in Bi2Te3 introduces an anisotropy for electrons traveling along the two distinct high symmetry directions of the surface Brillouin zone, i.e., $\Gamma$K and $\Gamma$M. We show that the phonon coupling strength to the surface electrons in Bi2Te3 is in nice agreement with the theoretical prediction but, nevertheless, higher than one may expect. We argue that the electron-phonon coupling is one of the main contributions to the decay of photoholes but the relatively small size of the Fermi surface limits the number of phonon modes that may scatter off electrons. This effect is manifested in the energy dependence of the imaginary part of the electron self energy of the surface state which shows a decay to higher binding energies in contrast to the monotonic increase proportional to E$^2$ in the Fermi liquid theory due to electron-electron interaction.
Furthermore, the effect of the surface impurities of Chapter 5 on the quasiparticle life- times is investigated. We find that Fe impurities have a much stronger influence on the lifetimes as compared to Ag. Moreover, we find that the influence is stronger independently of the sign of the doping. We argue that this observation suggests a minor contribution of the warping on increased scattering rates in contrast to current belief. This is additionally confirmed by the observation that the scattering rates increase further with increasing silver amount while the doping stays constant and by the fact that clean Bi2Se3 and Bi2Te3 show very similar scattering rates regardless of the much stronger warping in Bi2Te3.
In the last chapter we report on a strong circular dichroism in the angle distribution of the photoemission signal of the surface state of Bi2Te3. We show that the color pattern obtained by calculating the difference between photoemission intensities measured with opposite photon helicity reflects the pattern expected for the spin polarization. However, we find a strong influence on strength and even sign of the effect when varying the photon energy. The sign change is qualitatively confirmed by means of one-step photoemission calculations conducted by our collaborators from the LMU München, while the calculated spin polarization is found to be independent of the excitation energy. Experiment and theory together unambiguously uncover the dichroism in these systems as a final state effect and the question in the title of the chapter has to be negated: Circular dichroism in the angle distribution is not a new spin sensitive technique.
The authors present efficient all-polymer solar cells comprising two different low-bandgap naphthalenediimide (NDI)-based copolymers as acceptors and regioregular P3HT as the donor. It is shown that these naphthalene copolymers have a strong tendency to preaggregate in specific organic solvents, and that preaggregation can be completely suppressed when using suitable solvents with large and highly polarizable aromatic cores. Organic solar cells prepared from such nonaggregated polymer solutions show dramatically increased power conversion efficiencies of up to 1.4%, which is mainly due to a large increase of the short circuit current. In addition, optimized solar cells show remarkable high fill factors of up to 70%. The analysis of the blend absorbance spectra reveals a surprising anticorrelation between the degree of polymer aggregation in the solid P3HT:NDI copolymer blends and their photovoltaic performance. Scanning near-field optical microscopy (SNOM) and atomic force microscopy (AFM) measurements reveal important information on the blend morphology. It is shown that films with high degree of aggregation and low photocurrents exhibit large-scale phase-separation into rather pure donor and acceptor domains. It is proposed that, by suppressing the aggregation of NDI copolymers at the early stage of film formation, the intermixing of the donor and acceptor component is improved, thereby allowing efficient harvesting of photogenerated excitons at the donoracceptor heterojunction.
Nanogradient polymer brushes
(2012)
We introduce an optimal phase description of chaotic oscillations by generalizing the concept of isochrones. On chaotic attractors possessing a general phase description, we define the optimal isophases as Poincare surfaces showing return times as constant as possible. The dynamics of the resultant optimal phase is maximally decoupled from the amplitude dynamics and provides a proper description of the phase response of chaotic oscillations. The method is illustrated with the Rossler and Lorenz systems.
We investigated EEG-power and EEG-coherence changes in a unimodal and a crossmodal matching-to-sample working memory task with either visual or kinesthetic stimuli. Angle-shaped trajectories were used as stimuli presented either as a moving dot on a screen or as a passive movement of a haptic device. Effects were evaluated during the different phases of encoding, maintenance, and recognition. Alpha power was modulated during encoding by the stimulus modality, and in crossmodal conditions during encoding and maintenance by the expected modality of the upcoming test stimulus. These power modulations were observed over modality-specific cortex regions. Systematic changes of coherence for crossmodal compared to unimodal tasks were not observed during encoding and maintenance but only during recognition. There, coherence in the theta-band increased between electrode sites over left central and occipital cortex areas in the crossmodal compared to the unimodal conditions. The results underline the importance of modality-specific representations and processes in unimodal and crossmodal working memory tasks. Crossmodal recognition of visually and kinesthetically presented object features seems to be related to a direct interaction of somatosensory/motor and visual cortex regions by means of long-range synchronization in the theta-band and such interactions seem to take place at the beginning of the recognition phase, i.e. when crossmodal transfer is actually necessary.
A crystal of hen egg-white lysozyme was analyzed by means of energy-dispersive X-ray Laue diffraction with white synchrotron radiation at 2.7 angstrom resolution using a pnCCD detector. From Laue spots measured in a single exposure of the arbitrarily oriented crystal, the lattice constants of the tetragonal unit cell could be extracted with an accuracy of about 2.5%. Scanning across the sample surface, Laue images with split reflections were recorded at various positions. The corresponding diffraction patterns were generated by two crystalline domains with a tilt of about 1 degrees relative to each other. The obtained results demonstrate the potential of the pnCCD for fast X-ray screening of crystals of macromolecules or proteins prior to conventional X-ray structure analysis. The described experiment can be automatized to quantitatively characterize imperfect single crystals or polycrystals.
Macromolecular crowding in living biological cells effects subdiffusion of larger biomolecules such as proteins and enzymes. Mimicking this subdiffusion in terms of random walks on a critical percolation cluster, we here present a case study of EcoRV restriction enzymes involved in vital cellular defence. We show that due to its so far elusive propensity to an inactive state the enzyme avoids non-specific binding and remains well-distributed in the bulk cytoplasm of the cell. Despite the reduced volume exploration capability of subdiffusion processes, this mechanism guarantees a high efficiency of the enzyme. By variation of the non-specific binding constant and the bond occupation probability on the percolation network, we demonstrate that reduced nonspecific binding are beneficial for efficient subdiffusive enzyme activity even in relatively small bacteria cells. Our results corroborate a more local picture of cellular regulation.
We explore the photophysics of P(NDI2OD-T2), a high-mobility and air-stable n-type donor/acceptor polymer. Detailed steady-state UV-vis and photoluminescence (PL) measurements on solutions of P(NDI2OD-T2) reveal distinct signatures of aggregation. By performing quantum chemical calculations, we can assign these spectral features to unaggregated and stacked polymer chains. NMR measurements independently confirm the aggregation phenomena of P(NDI2OD-T2) in solution. The detailed analysis of the optical spectra shows that aggregation is a two-step process with different types of aggregates, which we confirm by time-dependent PL measurements. Analytical ultracentrifugation measurements suggest that aggregation takes place within the single polymer chain upon coiling. By transferring these results to thin P(NDI2OD-T2) films, we can conclude that film formation is mainly governed by the chain collapse, leading in general to a high aggregate content of similar to 45%. This process also inhibits the formation of amorphous and disordered P(NDI2OD-T2) films.
There is an observational correlation between astrophysical shocks and nonthermal particle distributions extending to high energies. As a first step toward investigating the possible feedback of these particles on the shock at the microscopic level, we perform particle-in-cell (PIC) simulations of a simplified environment consisting of uniform, interpenetrating plasmas, both with and without an additional population of cosmic rays. We vary the relative density of the counterstreaming plasmas, the strength of a homogeneous parallel magnetic field, and the energy density in cosmic rays. We compare the early development of the unstable spectrum for selected configurations without cosmic rays to the growth rates predicted from linear theory, for assurance that the system is well represented by the PIC technique. Within the parameter space explored, we do not detect an unambiguous signature of any cosmic-ray-induced effects on the microscopic instabilities that govern the formation of a shock. We demonstrate that an overly coarse distribution of energetic particles can artificially alter the statistical noise that produces the perturbative seeds of instabilities, and that such effects can be mitigated by increasing the density of computational particles.
Context. The true mass-loss rates from massive stars are important for many branches of astrophysics. For the correct modeling of the resonance lines, which are among the key diagnostics of stellar mass-loss, the stellar wind clumping has been found to be very important. To incorporate clumping into a radiative transfer calculation, three-dimensional (3D) models are required. Various properties of the clumps may have a strong impact on the resonance line formation and, therefore, on the determination of empirical mass-loss rates.
Aims. We incorporate the 3D nature of the stellar wind clumping into radiative transfer calculations and investigate how different model parameters influence the resonance line formation.
Methods. We develop a full 3D Monte Carlo radiative transfer code for inhomogeneous expanding stellar winds. The number density of clumps follows the mass conservation. For the first time, we use realistic 3D models that describe the dense as well as the tenuous wind components to model the formation of resonance lines in a clumped stellar wind. At the same time, we account for non-monotonic velocity fields.
Results. The 3D density and velocity wind inhomogeneities show that there is a very strong impact on the resonance line formation. The different parameters describing the clumping and the velocity field results in different line strengths and profiles. We present a set of representative models for various sets of model parameters and investigate how the resonance lines are affected. Our 3D models show that the line opacity is lower for a larger clump separation and shallower velocity gradients within the clumps.
Conclusions. Our model demonstrates that to obtain empirically correct mass-loss rates from the UV resonance lines, the wind clumping and its 3D nature must be taken into account.
Time-dependent escape of cosmic rays from supernova remnants, and their interaction with dense media
(2012)
Context. Supernova remnants (SNRs) are thought to be the main source of Galactic cosmic rays (CRs) up to the "knee" in CR spectrum. During the evolution of a SNR, the bulk of the CRs are confined inside the SNR shell. The highest-energy particles leave the system continuously, while the remaining adiabatically cooled particles are released when the SNR has expanded sufficiently and decelerated so that the magnetic field at the shock is no longer able to confine them. Particles escaping from the parent system may interact with nearby molecular clouds, producing.-rays in the process via pion decay. The soft gamma-ray spectra observed for a number of SNRs interacting with molecular clouds, however, challenge current theories of non-linear particle acceleration that predict harder spectra.
Aims. We study how the spectrum of escaped particles depends on the time-dependent acceleration history in both Type Ia and core-collapse SNRs, as well as on different assumptions about the diffusion coefficient in the vicinity of the SNR.
Methods. We solve the CR transport equation in a test-particle approach combined with numerical simulations of SNR evolution.
Results. We extend our method for calculating the CR acceleration in SNRs to trace the escaped particles in a large volume around SNRs. We calculate the evolution of the spectra of CRs that have escaped from a SNR into a molecular cloud or dense shell for two diffusion models. We find a strong confinement of CRs in a close region around the SNR, and a strong dilution effect for CRs that were able to propagate out as far as a few SNR radii.
Particle spectra from acceleration at forward and reverse shocks of young Type Ia Supernova Remnants
(2012)
We study cosmic-ray acceleration in young Type Ia Supernova Remnants (SNRs) by means of test-particle diffusive shock acceleration theory and 1-D hydrodynamical simulations of their evolution. In addition to acceleration at the forward shock, we explore the particle acceleration at the reverse shock in the presence of a possible substantial magnetic field, and consequently the impact of this acceleration on the particle spectra in the remnant. We investigate the time evolution of the spectra for various time-dependent profiles of the magnetic field in the shocked region of the remnant. We test a possible influence on particle spectra of the Alfvenic drift of scattering centers in the precursor regions of the shocks. In addition, we study the radiation spectra and morphology in a broad band from radio to gamma-rays. It is demonstrated that the reverse shock contribution to the cosmic-ray particle population of young Type la SNRs may be significant, modifying the spatial distribution of particles and noticeably affecting the volume-integrated particle spectra in young SNRs. In particular spectral structures may arise in test-particle calculations that are often discussed as signatures of non-linear cosmic-ray modification of shocks. Therefore, the spectrum and morphology of emission, and their time evolution, differ from pure forward-shock solutions.
We experimentally analyze collective dynamics of a population of 20 electronic Wien-bridge limit-cycle oscillators with a nonlinear phase-shifting unit in the global feedback loop. With an increase in the coupling strength we first observe formation and then destruction of a synchronous cluster, so that the dependence of the order parameter on the coupling strength is not monotonic. After destruction of the cluster the ensemble remains nevertheless coherent, i.e., it exhibits an oscillatory collective mode (mean field). We show that the system is now in a self-organized quasiperiodic state, predicted in Rosenblum and Pikovsky [Phys. Rev. Lett. 98, 064101 (2007)]. In this state, frequencies of all oscillators are smaller than the frequency of the mean field, so that the oscillators are not locked to the mean field they create and their dynamics is quasiperiodic. Without a nonlinear phase-shifting unit, the system exhibits a standard Kuramoto-like transition to a fully synchronous state. We demonstrate a good correspondence between the experiment and previously developed theory. We also propose a simple measure which characterizes the macroscopic incoherence-coherence transition in a finite-size ensemble.
We investigate the physical state of H?i absorbing gas at low redshift (z = 0.25) using a subset of cosmological, hydrodynamic simulations from the OverWhelmingly Large Simulations project, focusing in particular on broad (bHI=40 km s-1) H?i Lya absorbers (BLAs), which are believed to originate in shock-heated gas in the warm-hot intergalactic medium (WHIM). Our fiducial model, which includes radiative cooling by heavy elements and feedback by supernovae and active galactic nuclei, predicts that by z = 0.25 nearly 60?per cent of the gas mass ends up at densities and temperatures characteristic of the WHIM and we find that half of this fraction is due to outflows. The standard H?i observables (distribution of H?i column densities NH?I, distribution of Doppler parameters bHI, bHINH?I correlation) and the BLA line number density predicted by our simulations are in remarkably good agreement with observations. BLAs arise in gas that is hotter, more highly ionized and more enriched than the gas giving rise to typical Lya forest absorbers. The majority of the BLAs arise in warm-hot [log?(T/?K) similar to 5] gas at low (log?? < 1.5) overdensities. On average, thermal broadening accounts for at least 60?per cent of the BLA linewidth, which in turn can be used as a rough indicator of the thermal state of the gas. Detectable BLAs account for only a small fraction of the true baryon content of the WHIM at low redshift. In order to detect the bulk of the mass in this gas phase, a sensitivity at least one order of magnitude better than achieved by current ultraviolet spectrographs is required. We argue that BLAs mostly trace gas that has been shock heated and enriched by outflows and that they therefore provide an important window on a poorly understood feedback process.
The solar outer atmosphere is an extremely dynamic environment characterized by the continuous interplay between the plasma and the magnetic field that generates and permeates it. Such interactions play a fundamental role in hugely diverse astrophysical systems, but occur at scales that cannot be studied outside the solar system. Understanding this complex system requires concerted, simultaneous solar observations from the visible to the vacuum ultraviolet (VUV) and soft X-rays, at high spatial resolution (between 0.1'' and 0.3''), at high temporal resolution (on the order of 10 s, i.e., the time scale of chromospheric dynamics), with a wide temperature coverage (0.01 MK to 20 MK, from the chromosphere to the flaring corona), and the capability of measuring magnetic fields through spectropolarimetry at visible and near-infrared wavelengths. Simultaneous spectroscopic measurements sampling the entire temperature range are particularly important. These requirements are fulfilled by the Japanese Solar-C mission (Plan B), composed of a spacecraft in a geosynchronous orbit with a payload providing a significant improvement of imaging and spectropolarimetric capabilities in the UV, visible, and near-infrared with respect to what is available today and foreseen in the near future. The Large European Module for solar Ultraviolet Research (LEMUR), described in this paper, is a large VUV telescope feeding a scientific payload of high-resolution imaging spectrographs and cameras. LEMUR consists of two major components: a VUV solar telescope with a 30 cm diameter mirror and a focal length of 3.6 m, and a focal-plane package composed of VUV spectrometers covering six carefully chosen wavelength ranges between 170 and 1270 . The LEMUR slit covers 280'' on the Sun with 0.14'' per pixel sampling. In addition, LEMUR is capable of measuring mass flows velocities (line shifts) down to 2 km s (-aEuro parts per thousand 1) or better. LEMUR has been proposed to ESA as the European contribution to the Solar C mission.
The combination of a non-coated silicon photodiode with electron repelling meshes makes a versatile detector for total fluorescence yield and electron yield techniques highly suitable for x-ray absorption spectroscopy. In particular, a copper mesh with a bias voltage allows to suppress or transmit the electron yield signal. The performance of this detection scheme has been characterized by near edge x-ray absorption fine structure studies of thermal oxidized silicon and sapphire. The results show that the new detector probes both electron yield and for a bias voltage exceeding the maximum photon energy the total fluorescence yield.
The accepted stochastic descriptions of biochemical dynamics under well-mixed conditions are given by the Chemical Master Equation and the Stochastic Simulation Algorithm, which are equivalent. The latter is a Monte-Carlo method, which, despite enjoying broad availability in a large number of existing software packages, is computationally expensive due to the huge amounts of ensemble averaging required for obtaining accurate statistical information. The former is a set of coupled differential-difference equations for the probability of the system being in any one of the possible mesoscopic states; these equations are typically computationally intractable because of the inherently large state space. Here we introduce the software package intrinsic Noise Analyzer (iNA), which allows for systematic analysis of stochastic biochemical kinetics by means of van Kampen's system size expansion of the Chemical Master Equation. iNA is platform independent and supports the popular SBML format natively. The present implementation is the first to adopt a complementary approach that combines state-of-the-art analysis tools using the computer algebra system Ginac with traditional methods of stochastic simulation. iNA integrates two approximation methods based on the system size expansion, the Linear Noise Approximation and effective mesoscopic rate equations, which to-date have not been available to non-expert users, into an easy-to-use graphical user interface. In particular, the present methods allow for quick approximate analysis of time-dependent mean concentrations, variances, covariances and correlations coefficients, which typically outperforms stochastic simulations. These analytical tools are complemented by automated multi-core stochastic simulations with direct statistical evaluation and visualization. We showcase iNA's performance by using it to explore the stochastic properties of cooperative and non-cooperative enzyme kinetics and a gene network associated with circadian rhythms. The software iNA is freely available as executable binaries for Linux, MacOSX and Microsoft Windows, as well as the full source code under an open source license.
A bright prominence associated with a coronal mass ejection (CME) was seen erupting from the Sun on 9 April 2008. This prominence was tracked by both the Solar Terrestrial Relations Observatory (STEREO) EUVI and COR1 telescopes, and was seen to rotate about the line of sight as it erupted; therefore, the event has been nicknamed the "Cartwheel CME." The threads of the prominence in the core of the CME quite clearly indicate the structure of a weakly to moderately twisted flux rope throughout the field of view, up to heliocentric heights of 4 solar radii. Although the STEREO separation was 48A degrees, it was possible to match some sharp features in the later part of the eruption as seen in the 304 line in EUVI and in the H alpha-sensitive bandpass of COR1 by both STEREO Ahead and Behind. These features could then be traced out in three-dimensional space, and reprojected into a view in which the eruption is directed toward the observer. The reconstructed view shows that the alignment of the prominence to the vertical axis rotates as it rises up to a leading-edge height of a parts per thousand aEuro parts per thousand 2.5 solar radii, and then remains approximately constant. The alignment at 2.5 solar radii differs by about 115A degrees from the original filament orientation inferred from H alpha and EUV data, and the height profile of the rotation, obtained here for the first time, shows that two thirds of the total rotation are reached within a parts per thousand aEuro parts per thousand 0.5 solar radii above the photosphere. These features are well reproduced by numerical simulations of an unstable moderately twisted flux rope embedded in external flux with a relatively strong shear field component.