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- Institut für Physik und Astronomie (5344) (entfernen)
We present a new numerical algorithm to solve the recently derived equations of two-moment cosmic ray hydrodynamics (CRHD). The algorithm is implemented as a module in the moving mesh AREPO code. Therein, the anisotropic transport of cosmic rays (CRs) along magnetic field lines is discretized using a path-conservative finite volume method on the unstructured time-dependent Voronoi mesh of AREPO. The interaction of CRs and gyroresonant Alfven waves is described by short time-scale source terms in the CRHD equations. We employ a custom-made semi-implicit adaptive time stepping source term integrator to accurately integrate this interaction on the small light-crossing time of the anisotropic transport step. Both the transport and the source term integration step are separated from the evolution of the magnetohydrodynamical equations using an operator split approach. The new algorithm is tested with a variety of test problems, including shock tubes, a perpendicular magnetized discontinuity, the hydrodynamic response to a CR overpressure, CR acceleration of a warm cloud, and a CR blast wave, which demonstrate that the coupling between CR and magnetohydrodynamics is robust and accurate. We demonstrate the numerical convergence of the presented scheme using new linear and non-linear analytic solutions.
Topic and aim. Synchronization in populations of coupled oscillators can be characterized with order parameters that describe collective order in ensembles. A dependence of the order parameter on the coupling constants is well-known for coupled periodic oscillators. The goal of the study is to extend this analysis to ensembles of oscillators with chaotic phases, moreover with phases possessing hyperbolic chaos. Models and methods. Two models are studied in the paper. One is an abstract discrete-time map, composed with a hyperbolic Bernoulli transformation and with Kuramoto dynamics. Another model is a system of coupled continuous-time chaotic oscillators, where each individual oscillator has a hyperbolic attractor of Smale-Williams type. Results. The discrete-time model is studied with the Ott-Antonsen ansatz, which is shown to be invariant under the application of the Bernoulli map. The analysis of the resulting map for the order parameter shows, that the asynchronouis state is always stable, but the synchronous one becomes stable above a certain coupling strength. Numerical analysis of the continuous-time model reveals a complex sequence of transitions from an asynchronous state to a completely synchronous hyperbolic chaos, with intermediate stages that include regimes with periodic in time mean field, as well as with weakly and strongly irregular mean field variations. Discussion. Results demonstrate that synchronization of systems with hyperbolic chaos of phases is possible, although a rather strong coupling is required. The approach can be applied to other systems of interacting units with hyperbolic chaotic dynamics.
We introduce and study a family of lattice equations which may be viewed either as a strongly nonlinear discrete extension of the Gardner equation, or a non-convex variant of the Lotka-Volterra chain. Their deceptively simple form supports a very rich family of complex solitary patterns. Some of these patterns are also found in the quasi-continuum rendition, but the more intriguing ones, like interlaced pairs of solitary waves, or waves which may reverse their direction either spontaneously or due a collision, are an intrinsic feature of the discrete realm.
We report on the multiple response of microgels triggered by a single optical stimulus. Under irradiation, the volume of the microgels is reversibly switched by more than 20 times. The irradiation initiates two different processes: photo-isomerization of the photo-sensitive surfactant, which forms a complex with the anionic microgel, rendering it photo-responsive; and local heating due to a thermo-plasmonic effect within the structured gold layer on which the microgel is deposited. The photo-responsivity is related to the reversible accommodation/release of the photo-sensitive surfactant depending on its photo-isomerization state, while the thermo-sensitivity is intrinsically built in. We show that under exposure to green light, the thermo-plasmonic effect generates a local hot spot in the gold layer, resulting in the shrinkage of the microgel. This process competes with the simultaneous photo-induced swelling. Depending on the position of the laser spot, the spatiotemporal control of reversible particle shrinking/swelling with a predefined extent on a per-second base can be implemented.
To undergo diffusive shock acceleration, electrons need to be preaccelerated to increase their energies by several orders of magnitude, else their gyroradii will be smaller than the finite width of the shock. In oblique shocks, where the upstream magnetic field orientation is neither parallel nor perpendicular to the shock normal, electrons can escape to the shock upstream, modifying the shock foot to a region called the electron foreshock. To determine the preacceleration in this region, we undertake particle-in-cell simulations of oblique shocks while varying the obliquity and in-plane angles. We show that while the proportion of reflected electrons is negligible for theta (Bn) = 74.degrees 3, it increases to R similar to 5% for theta (Bn) = 30 degrees, and that, via the electron acoustic instability, these electrons power electrostatic waves upstream with energy density proportional to R (0.6) and a wavelength approximate to 2 lambda (se), where lambda (se) is the electron skin length. While the initial reflection mechanism is typically a combination of shock-surfing acceleration and magnetic mirroring, we show that once the electrostatic waves have been generated upstream, they themselves can increase the momenta of upstream electrons parallel to the magnetic field. In less than or similar to 1% of cases, upstream electrons are prematurely turned away from the shock and never injected downstream. In contrast, a similar fraction is rescattered back toward the shock after reflection, reinteracts with the shock with energies much greater than thermal, and crosses into the downstream.
The strong chromospheric absorption lines Ca ii H & K are tightly connected to stellar surface magnetic fields. Only for the Sun, spectral activity indices can be related to evolving magnetic features on the solar disk. The Solar Disk-Integrated (SDI) telescope feeds the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) of the Large Binocular Telescope (LBT) at Mt. Graham International Observatory, Arizona, U.S.A. We present high-resolution, high-fidelity spectra that were recorded on 184 & 82 days in 2018 & 2019 and derive the Ca ii H & K emission ratio, that is, the S-index. In addition, we compile excess brightness and area indices based on full-disk Ca ii K-line-core filtergrams of the Chromospheric Telescope (ChroTel) at Observatorio del Teide, Tenerife, Spain and full-disk ultraviolet (UV) 1600 angstrom images of the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory (SDO). Thus, Sun-as-a-star spectral indices are related to their counterparts derived from resolved images of the solar chromosphere. All indices display signatures of rotational modulation, even during the very low magnetic activity in the minimum of Solar Cycle 24. Bringing together different types of activity indices has the potential to join disparate chromospheric datasets yielding a comprehensive description of chromospheric activity across many solar cycles.
Increasing greenhouse gas emissions are likely to impact not only natural systems but economies worldwide. If these impacts alter future economic development, the financial losses will be significantly higher than the mere direct damages. So far, potentially aggravating investment responses were considered negligible. Here we consistently incorporate an empirically derived temperature-growth relation into the simple integrated assessment model DICE. In this framework we show that, if in the next eight decades varying temperatures impact economic growth as has been observed in the past three decades, income is reduced by similar to 20% compared to an economy unaffected by climate change. Hereof similar to 40% are losses due to growth effects of which similar to 50% result from reduced incentive to invest. This additional income loss arises from a reduced incentive for future investment in anticipation of a reduced return and not from an explicit climate protection policy. Under economically optimal climate-change mitigation, however, optimal investment would only be reduced marginally as mitigation efforts keep returns high.
A theory for diffusivity estimation for spatially extended activator-inhibitor dynamics modeling the evolution of intracellular signaling networks is developed in the mathematical framework of stochastic reaction-diffusion systems. In order to account for model uncertainties, we extend the results for parameter estimation for semilinear stochastic partial differential equations, as developed in Pasemann and Stannat (Electron J Stat 14(1):547-579, 2020), to the problem of joint estimation of diffusivity and parametrized reaction terms. Our theoretical findings are applied to the estimation of effective diffusivity of signaling components contributing to intracellular dynamics of the actin cytoskeleton in the model organism Dictyostelium discoideum.
Understanding the damping is an important fundamental problem with widespread implications in magnetic technology. Ferrimagnetic materials offer a rich platform to explore not only the damping of the ferromagnetic mode, but also the damping of the high-frequency exchange mode very promising for ultrafast devices. Here we use time-resolved magneto-optical Kerr effect to investigate the ferromagnetic and exchange resonance modes and their damping in the bismuth-doped gadolinium iron garnet over a broad range of magnetic fields (0-10 T) and temperatures (50-300 K) including the magnetization and angular compensation points. These two resonance modes are excited via the inverse Faraday effect and unambiguously identified by their distinct frequency dependence on temperature and magnetic field. The temperature-dependent measurements in the external magnetic field H-ext = 2 T revealed that the intrinsic damping of the ferromagnetic mode is always smaller than the one of the exchange modes and both have a maximum near the angular compensation point. These results are fully consistent with recent predictions of atomistic simulations and a theory based on two-sublattice Landau-Lifshitz-Bloch equation. We also demonstrate that the damping of these modes varies differently as a function of H-ext. We explain the observed behaviors by considering the different features of the effective fields defining the precession frequencies of the ferromagnetic and exchange modes.
Laser-based additive manufacturing methods allow the production of complex metal structures within a single manufacturing step. However, the localized heat input and the layer-wise manufacturing manner give rise to large thermal gradients. Therefore, large internal stress (IS) during the process (and consequently residual stress (RS) at the end of production) is generated within the parts. This IS or RS can either lead to distortion or cracking during fabrication or in-service part failure, respectively. With this in view, the knowledge on the magnitude and spatial distribution of RS is important to develop strategies for its mitigation. Specifically, diffraction-based methods allow the spatial resolved determination of RS in a non-destructive fashion. In this review, common diffraction-based methods to determine RS in laser-based additive manufactured parts are presented. In fact, the unique microstructures and textures associated to laser-based additive manufacturing processes pose metrological challenges. Based on the literature review, it is recommended to (a) use mechanically relaxed samples measured in several orientations as appropriate strain-free lattice spacing, instead of powder, (b) consider that an appropriate grain-interaction model to calculate diffraction-elastic constants is both material- and texture-dependent and may differ from the conventionally manufactured variant. Further metrological challenges are critically reviewed and future demands in this research field are discussed.
We investigate whether the dust content of the circum-galactic medium (CGM) depends on the location of the quasar sightline with respect to the galaxy major-axis using 13 galaxy-Mg II absorber pairs (9-81 kpc distance) from the MusE GAs FLOw and Wind (MEGAFLOW) survey at 0.4 < z < 1.4. The dust content of the CGM is obtained from [Zn/Fe] using ultraviolet and visual echelle spectrograph data. When a direct measurement of [Zn/Fe] is unavailable, we estimate the dust depletion from a method that consists in solving for the depletion from multiple singly ionized ions (e.g. Mn II, Cr II, and Zn II) since each ion depletes on dust grains at different rates. We find a positive correlation between the azimuthal angle and [Zn/Fe] with a Pearson's gamma = 0.70 +/- 0.14. The sightlines along the major axis show [Zn/Fe] < 0.5, whereas the [Zn/Fe] is > 0.8 along the minor axis. These results suggest that the CGM along the minor axis is on average more metal enriched (by approximate to 1 dex) than the gas located along the major axis of galaxies provided that dust depletion is a proxy for metallicity. This anisotropic distribution is consistent with recent results on outflow and accretion in hydro-dynamical simulations.
Levy walks are continuous-time random-walk processes with a spatiotemporal coupling of jump lengths and waiting times. We here apply the Hermite polynomial method to study the behavior of LWs with power-law walking time density for four different cases. First we show that the known result for the infinite density of an unconfined, unbiased LW is consistently recovered. We then derive the asymptotic behavior of the probability density function (PDF) for LWs in a constant force field, and we obtain the corresponding qth-order moments. In a harmonic external potential we derive the relaxation dynamic of the LW. For the case of a Poissonian walking time an exponential relaxation behavior is shown to emerge. Conversely, a power-law decay is obtained when the mean walking time diverges. Finally, we consider the case of an unconfined, unbiased LW with decaying speed v(r ) = v0/./r. When the mean walking time is finite, a universal Gaussian law for the position-PDF of the walker is obtained explicitly.
Various mathematical Black-Scholes-Merton-like models of option pricing employ the paradigmatic stochastic process of geometric Brownian motion (GBM). The innate property of such models and of real stock-market prices is the roughly exponential growth of prices with time [on average, in crisis-free times]. We here explore the ensemble- and time averages of a multiplicative-noise stochastic process with power-law-like time-dependent volatility, sigma(t) similar to t(alpha), named scaled GBM (SGBM). For SGBM, the mean-squared displacement (MSD) computed for an ensemble of statistically equivalent trajectories can grow faster than exponentially in time, while the time-averaged MSD (TAMSD)-based on a sliding-window averaging along a single trajectory-is always linear at short lag times Delta. The proportionality factor between these the two averages of the time series is Delta/T at short lag times, where T is the trajectory length, similarly to GBM. This discrepancy of the scaling relations and pronounced nonequivalence of the MSD and TAMSD at Delta/T << 1 is a manifestation of weak ergodicity breaking for standard GBM and for SGBM with s (t)-modulation, the main focus of our analysis. The analytical predictions for the MSD and mean TAMSD for SGBM are in quantitative agreement with the results of stochastic computer simulations.
Gas flows in galaxy mergers
(2022)
In major galaxy mergers, the orbits of stars are violently perturbed, and gas is torqued to the centre, diluting the gas metallicity and igniting a starburst. In this paper, we study the gas dynamics in and around merging galaxies using a series of cosmological magnetohydrodynamical zoom-in simulations. We find that the gas bridge connecting the merging galaxies pre-coalescence is dominated by turbulent pressure, with turbulent Mach numbers peaking at values of 1.6-3.3. This implies that bridges are dominated by supersonic turbulence, and are thus ideal candidates for studying the impact of extreme environments on star formation. We also find that gas accreted from the circumgalactic medium (CGM) during the merger significantly contributes (27-51 percent) to the star formation rate (SFR) at the time of coalescence and drives the subsequent reignition of star formation in the merger remnant. Indeed, 19-53 percent of the SFR at z = 0 originates from gas belonging to the CGM prior the merger. Finally, we investigate the origin of the metallicity-diluted gas at the centre of merging galaxies. We show that this gas is rapidly accreted on to the Galactic Centre with a time-scale much shorter than that of normal star-forming galaxies. This explains why coalescing galaxies are not well-captured by the fundamental metallicity relation.
Constraints on the time-scales of quasar activity are key to understanding the formation and growth of supermassive black holes (SMBHs), quasar triggering mechanisms, and possible feedback effects on their host galaxies. However, observational estimates of this so-called quasar lifetime are highly uncertain (t(Q) similar to 10(4)-10(9) yr), because most methods are indirect and involve many model-dependent assumptions. Direct evidence of earlier activity is gained from the higher ionization state of the intergalactic medium (IGM) in the quasar environs, observable as enhanced Ly alpha transmission in the so-called proximity zone. Due to the similar to 30 Myr equilibration time-scale of He II in the z similar to 3 IGM, the size of the He II proximity zone depends on the time the quasar had been active before our observation t(on) <= t(Q), enabling up to +/- 0.2 dex precise measurements of individual quasar on-times that are comparable to the e-folding time-scale t(S) <= 44 Myr of SMBH growth. Here we present the first statistical sample of 13 quasars whose accurate and precise systemic redshifts allow for measurements of sufficiently precise He II quasar proximity zone sizes between similar or equal to 2 and similar or equal to 15 proper Mpc from science-grade Hubble Space Telescope (HST) spectra. Comparing these sizes to predictions from cosmological hydrodynamical simulations post-processed with 1D radiative transfer, we infer a broad range of quasar on-times from t(on) less than or similar to 1Myr to t(on) > 30 Myr that does not depend on quasar luminosity, black hole mass, or Eddington ratio. These results point to episodic quasar activity over a long duty cycle, but do not rule out substantial SMBH growth during phases of radiative inefficiency or obscuration.
Self-organized coherence-incoherence patterns, called chimera states, have first been reported in systems of Kuramoto oscillators. For coupled excitable units, similar patterns where coherent units are at rest are called bump states. Here, we study bumps in an array of active rotators coupled by nonlocal attraction and global repulsion. We demonstrate how they can emerge in a supercritical scenario from completely coherent Turing patterns: a single incoherent unit appears in a homoclinic bifurcation, undergoing subsequent transitions to quasiperiodic and chaotic behavior, which eventually transforms into extensive chaos with many incoherent units. We present different types of transitions and explain the formation of coherence-incoherence patterns according to the classical paradigm of short-range activation and long-range inhibition.
We derive. the ensemble-and time-averaged mean-squared displacements (MSD, TAMSD) for Poisson-reset geometric Brownian motion (GBM), in agreement with simulations. We find MSD and TAMSD saturation for frequent resetting, quantify the spread of TAMSDs via the ergodicity-breaking parameter and compute distributions of prices. General MSD-TAMSD nonequivalence proves reset GBM nonergodic.
Using magneto-optical Faraday and Kerr measurements, we investigate the magnetic and magnetooptical properties of a thick Bi-substituted gadolinium iron garnet film over a broad range of wavelengths (250-850 nm) and temperatures (150-300 K), including the magnetization compensation point, TM. We observe an exchange-bias-like effect in the vicinity of TM. By slightly changing the sample temperature, we can precisely tune the bias field, which reaches a magnitude 6 times higher than the coercive field. We explain this phenomenon by considering the short-range superexchange interaction and a change in the magnetic behavior when moving from the surface to the bulk of the film. This finding may lead to the development of single-film magneto-optical devices based on the exchange-bias effect.
This paper is concerned with correlation functions of stochastic systems with memory, a prominent example being a molecule or colloid moving through a complex (e.g. viscoelastic) fluid environment. Analytical investigations of such systems based on non-Markovian stochastic equations are notoriously difficult. A common approximation is that of a single-exponential memory, corresponding to the introduction of one auxiliary variable coupled to the Markovian dynamics of the main variable. As a generalization, we here investigate a class of 'toy' models with altogether three degrees of freedom, giving rise to more complex forms of memory. Specifically, we consider, mainly on an analytical basis, the under- and overdamped motion of a colloidal particle coupled linearly to two auxiliary variables, where the coupling between variables can be either reciprocal or non-reciprocal. Projecting out the auxiliary variables, we obtain non-Markovian Langevin equations with friction kernels and colored noise, whose structure is similar to that of a generalized Langevin equation. For the present systems, however, the non-Markovian equations may violate the fluctuation-dissipation relation as well as detailed balance, indicating that the systems are out of equilibrium. We then study systematically the connection between the coupling topology of the underlying Markovian system and various autocorrelation functions. We demonstrate that already two auxiliary variables can generate surprisingly complex (e.g. non-monotonic or oscillatory) memory and correlation functions. Finally, we show that a minimal overdamped model with two auxiliary variables and suitable non-reciprocal coupling yields correlation functions resembling those describing hydrodynamic backflow in an optical trap.
The icosahedral non-hydrostatic large eddy model (ICON-LEM) was applied around the drift track of the Multidisciplinary Observatory Study of the Arctic (MOSAiC) in 2019 and 2020. The model was set up with horizontal grid-scales between 100m and 800m on areas with radii of 17.5km and 140 km. At its lateral boundaries, the model was driven by analysis data from the German Weather Service (DWD), downscaled by ICON in limited area mode (ICON-LAM) with horizontal grid-scale of 3 km.
The aim of this thesis was the investigation of the atmospheric boundary layer near the surface in the central Arctic during polar winter with a high-resolution mesoscale model. The default settings in ICON-LEM prevent the model from representing the exchange processes in the Arctic boundary layer in accordance to the MOSAiC observations. The implemented sea-ice scheme in ICON does not include a snow layer on sea-ice, which causes a too slow response of the sea-ice surface temperature to atmospheric changes. To allow the sea-ice surface to respond faster to changes in the atmosphere, the implemented sea-ice parameterization in ICON was extended with an adapted heat capacity term.
The adapted sea-ice parameterization resulted in better agreement with the MOSAiC observations. However, the sea-ice surface temperature in the model is generally lower than observed due to biases in the downwelling long-wave radiation and the lack of complex surface structures, like leads. The large eddy resolving turbulence closure yielded a better representation of the lower boundary layer under strongly stable stratification than the non-eddy-resolving turbulence closure. Furthermore, the integration of leads into the sea-ice surface reduced the overestimation of the sensible heat flux for different weather conditions.
The results of this work help to better understand boundary layer processes in the central Arctic during the polar night. High-resolving mesoscale simulations are able to represent temporally and spatially small interactions and help to further develop parameterizations also for the application in regional and global models.
Owing to global warming and particularly high regional ocean warming, both Thwaites and Pine Island Glaciers in the Amundsen region of the Antarctic Ice Sheet could lose their buttressing ice shelves over time. We analyse the possible consequences using the parallel ice sheet model (PISM), applying a simple cliff-calving parameterization and an ice melange-buttressing model. We find that the instantaneous loss of ice-shelf buttressing, due to enforced ice-shelf melting, initiates grounding-line retreat and triggers marine ice sheet instability (MISI). As a consequence, the grounding line progresses into the interior of the West Antarctic Ice Sheet and leads to a sea level contribution of 0.6 m within 100 a. By subjecting the exposed ice cliffs to cliff calving using our simplified parameterization, we also analyse marine ice cliff instability (MICI). In our simulations it can double or even triple the sea level contribution depending on the only loosely constrained parameter that determines the maximum cliff-calving rate. The speed of MICI depends on this upper bound of the calving rate, which is given by the ice melange buttressing the glacier. However, stabilization of MICI may occur for geometric reasons. Because the embayment geometry changes as MICI advances into the interior of the ice sheet, the upper bound on calving rates is reduced and the progress of MICI is slowed down. Although we cannot claim that our simulations bear relevant quantitative estimates of the effect of ice-melange buttressing on MICI, the mechanism has the potential to stop the instability. Further research is needed to evaluate its role for the past and future evolution of the Antarctic Ice Sheet.
Thanks to the combined effort s of scientist s in several research fields, the preceding decade has witnessed considerable progress in the use of conjugated polymers as emerging thermoelectric materials leading to significant improvements in performance and demonstration of a number of diverse applications. Despite these recent advances, systematic assessments of the impact of molecular design on thermoelectric properties are scarce. Although several reviews marginally highlight the role of chemical structure, the understanding of structure-performance relationships is still fragmented. An in-depth understanding of the relationship between molecular structure and thermoelectric properties will enable the rational design of next-generation thermoelectric polymers. To this end, this review showcases the state-of-the-art thermoelectric polymers, discusses structure-performance relationships, suggests strategies for improving thermoelectric performance that go beyond molecular design, and highlights some of the most impressive applications of thermoelectric polymers.
Organic-inorganic hybrids based on P3HT and mesoporous silicon for thermoelectric applications
(2024)
This thesis presents a comprehensive study on synthesis, structure and thermoelectric transport properties of organic-inorganic hybrids based on P3HT and porous silicon. The effect of embedding polymer in silicon pores on the electrical and thermal transport is studied. Morphological studies confirm successful polymer infiltration and diffusion doping with roughly 50% of the pore space occupied by conjugated polymer. Synchrotron diffraction experiments reveal no specific ordering of the polymer inside the pores. P3HT-pSi hybrids show improved electrical transport by five orders of magnitude compared to porous silicon and power factor values comparable or exceeding other P3HT-inorganic hybrids. The analysis suggests different transport mechanisms in both materials. In pSi, the transport mechanism relates to a Meyer-Neldel compansation rule. The analysis of hybrids' data using the power law in Kang-Snyder model suggests that a doped polymer mainly provides charge carriers to the pSi matrix, similar to the behavior of a doped semiconductor. Heavily suppressed thermal transport in porous silicon is treated with a modified Landauer/Lundstrom model and effective medium theories, which reveal that pSi agrees well with the Kirkpatrick model with a 68% percolation threshold. Thermal conductivities of hybrids show an increase compared to the empty pSi but the overall thermoelectric figure of merit ZT of P3HT-pSi hybrid exceeds both pSi and P3HT as well as bulk Si.
Additive manufacturing (AM) of metals and in particular laser powder bed fusion (LPBF) enables a degree of freedom in design unparalleled by conventional subtractive methods. To ensure that the designed precision is matched by the produced LPBF parts, a full understanding of the interaction between the laser and the feedstock powder is needed. It has been shown that the laser also melts subjacent layers of material underneath. This effect plays a key role when designing small cavities or overhanging structures, because, in these cases, the material underneath is feed-stock powder. In this study, we quantify the extension of the melt pool during laser illumination of powder layers and the defect spatial distribution in a cylindrical specimen. During the LPBF process, several layers were intentionally not exposed to the laser beam at various locations, while the build process was monitored by thermography and optical tomography. The cylinder was finally scanned by X-ray computed tomography (XCT). To correlate the positions of the unmolten layers in the part, a staircase was manufactured around the cylinder for easier registration. The results show that healing among layers occurs if a scan strategy is applied, where the orientation of the hatches is changed for each subsequent layer. They also show that small pores and surface roughness of solidified material below a thick layer of unmolten material (>200 mu m) serve as seeding points for larger voids. The orientation of the first two layers fully exposed after a thick layer of unmolten powder shapes the orientation of these voids, created by a lack of fusion.
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.
We study a non-Markovian and nonstationary model of animal mobility incorporating both exploration and memory in the form of preferential returns. Exact results for the probability of visiting a given number of sites are derived and a practical WKB approximation to treat the nonstationary problem is developed. A mean-field version of this model, first suggested by Song et al., [Modelling the scaling properties of human mobility, Nat. Phys. 6, 818 (2010)] was shown to well describe human movement data. We show that our generalized model adequately describes empirical movement data of Egyptian fruit bats (Rousettus aegyptiacus) when accounting for interindividual variation in the population. We also study the probability of visiting any site a given number of times and derive a mean-field equation. Our analysis yields a remarkable phase transition occurring at preferential returns which scale linearly with past visits. Following empirical evidence, we suggest that this phase transition reflects a trade-off between extensive and intensive foraging modes.
We study the ultrafast electronic transport of energy in a photoexcited nanoscale Au/Fe hetero-structure by modeling the spatiotemporal profile of energy densities that drives transient strain, which we quantify by femtosecond x-ray diffraction. This flow of energy is relevant for intrinsic demagnetization and ultrafast spin transport. We measured lattice strain for different Fe layer thicknesses ranging from few atomic layers to several nanometers and modeled the spatiotemporal flow of energy densities. The combination of a high electron-phonon coupling coefficient and a large Sommerfeld constant in Fe is found to yield electronic transfer of nearly all energy from Au to Fe within the first hundreds of femtoseconds.
Planets that closely orbit magnetically active stars are thought to be able to interact with their magnetic fields in a way that modulates stellar activity. This modulation in phase with the planetary orbit, such as enhanced X-ray activity, chromospheric spots, radio emission, or flares, is considered the clearest sign of magnetic star-planet interaction (SPI). However, the magnitude of this interaction is poorly constrained, and the intermittent nature of the interaction is a challenge for observers. AU Mic is an early M dwarf, and the most actively flaring planet host detected to date. Its innermost companion, AU Mic b, is a promising target for magnetic SPI observations. We used optical light curves of AU Mic obtained by the Transiting Exoplanet Survey Satellite to search for signs of flaring SPI with AU Mic b using a customized Anderson-Darling test. In the about 50 d of observations, the flare distributions with orbital, rotational, and synodic periods were generally consistent with intrinsic stellar flaring. We found the strongest deviation (p = 0.07, n = 71) from intrinsic flaring with the orbital period of AU Mic b, in the high-energy half of our sample (ED > 1 s). If it reflects the true SPI signal from AU Mic b, extending the observing time by a factor of 2-3 will yield a >3 sigma detection. Continued monitoring of AU Mic may therefore reveal flaring SPI with orbital phase, while rotational modulation will smear out due to the star's strong differential rotation.
Hot subdwarf stars represent a late and peculiar stage in the evolution of low-mass stars, since they are likely formed by close binary interactions. In this work, we perform a radial velocity (RV) variability study of a sample of 646 hot subdwarfs with multi-epoch radial velocities based on spectra from Sloan Digital Sky Survey (SDSS) and Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST). The atmospheric parameters and RVs were taken from the literature. For stars with archival spectra but without literature values, we determined the parameters by fitting model atmospheres. In addition, we redetermined the atmospheric parameters and RVs for all the He-enriched sdO/Bs. This broad sample allowed us to study RV-variability as a function of the location in the T-eff - log g- and T-eff - log n(He)/n(H) diagrams in a statistically significant way. We used the fraction of RV-variable stars and the distribution of the maximum RV variations Delta RVmax as diagnostics. Both indicators turned out to be quite inhomogeneous across the studied parameter ranges. A striking feature is the completely dissimilar behaviour of He-poor and He-rich hot subdwarfs. While the former have a high fraction of close binaries, almost no significant RV variations could be detected for the latter. This has led us to the conclusion that there is likely no evolutionary connection between these subtypes. On the other hand, intermediate He-rich- and extreme He-rich sdOB/Os are more likely to be related. Furthermore, we conclude that the vast majority of this population is formed via one or several binary merger channels. Hot subdwarfs with temperatures cooler than similar to 24 000 K tend to show fewer and smaller RV-variations. These objects might constitute a new subpopulation of binaries with longer periods and late-type or compact companions. The RV-variability properties of the extreme horizontal branch (EHB) and corresponding post-EHB populations of the He-poor hot subdwarfs match and confirm the predicted evolutionary connection between them. Stars found below the canonical EHB at somewhat higher surface gravities show large RV variations and a high RV variability fraction. These properties are consistent with most of them being low-mass EHB stars or progenitors of low-mass helium white dwarfs in close binaries.
Polymeric antimicrobial peptide mimics are a promising alternative for the future management of the daunting problems associated with antimicrobial resistance. However, the development of successful antimicrobial polymers (APs) requires careful control of factors such as amphiphilic balance, molecular weight, dispersity, sequence, and architecture. While most of the earlier developed APs focus on random linear copolymers, the development of APs with advanced architectures proves to be more potent. It is recently developed multivalent bottlebrush APs with improved antibacterial and hemocompatibility profiles, outperforming their linear counterparts. Understanding the rationale behind the outstanding biological activity of these newly developed antimicrobials is vital to further improving their performance. This work investigates the physicochemical properties governing the differences in activity between linear and bottlebrush architectures using various spectroscopic and microscopic techniques. Linear copolymers are more solvated, thermo-responsive, and possess facial amphiphilicity resulting in random aggregations when interacting with liposomes mimicking Escheria coli membranes. The bottlebrush copolymers adopt a more stable secondary conformation in aqueous solution in comparison to linear copolymers, conferring rapid and more specific binding mechanism to membranes. The advantageous physicochemical properties of the bottlebrush topology seem to be a determinant factor in the activity of these promising APs.
In this study, we model a sequence of a confined and a full eruption, employing the relaxed end state of the confined eruption of a kink-unstable flux rope as the initial condition for the ejective one. The full eruption, a model of a coronal mass ejection, develops as a result of converging motions imposed at the photospheric boundary, which drive flux cancellation. In this process, parts of the positive and negative external flux converge toward the polarity inversion line, reconnect, and cancel each other. Flux of the same amount as the canceled flux transfers to a flux rope, increasing the free magnetic energy of the coronal field. With sustained flux cancellation and the associated progressive weakening of the magnetic tension of the overlying flux, we find that a flux reduction of approximate to 11% initiates the torus instability of the flux rope, which leads to a full eruption. These results demonstrate that a homologous full eruption, following a confined one, can be driven by flux cancellation.
Context.
About 10% of all stars exhibit absorption lines of ultra-highly excited (UHE) metals (e.g., O VIII) in their optical spectra when entering the white dwarf cooling sequence. This is something that has never been observed in any other astrophysical object, and poses a decades-long mystery in our understanding of the late stages of stellar evolution. The recent discovery of a UHE white dwarf that is both spectroscopically and photometrically variable led to the speculation that the UHE lines might be created in a shock-heated circumstellar magnetosphere.
Aims.
We aim to gain a better understanding of these mysterious objects by studying the photometric variability of the whole population of UHE white dwarfs, and white dwarfs showing only the He II line problem, as both phenomena are believed to be connected.
Methods.
We investigate (multi-band) light curves from several ground- and space-based surveys of all 16 currently known UHE white dwarfs (including one newly discovered) and eight white dwarfs that show only the He II line problem.
Results.
We find that 75(-13)(+8) % of the UHE white dwarfs, and 75(-19)(+9)% of the He II line problem white dwarfs are significantly photometrically variable, with periods ranging from 0.22 d to 2.93 d and amplitudes from a few tenths to a few hundredths of a magnitude. The high variability rate is in stark contrast to the variability rate amongst normal hot white dwarfs (we find 9(2)(+4)%), marking UHE and He II line problem white dwarfs as a new class of variable stars. The period distribution of our sample agrees with both the orbital period distribution of post-common-envelope binaries and the rotational period distribution of magnetic white dwarfs if we assume that the objects in our sample will spin-up as a consequence of further contraction.
Conclusions.
We find further evidence that UHE and He II line problem white dwarfs are indeed related, as concluded from their overlap in the Gaia HRD, similar photometric variability rates, light-curve shapes and amplitudes, and period distributions. The lack of increasing photometric amplitudes towards longer wavelengths, as well as the nondetection of optical emission lines arising from the highly irradiated face of a hypothetical secondary in the optical spectra of our stars, makes it seem unlikely that an irradiated late-type companion is the origin of the photometric variability. Instead, we believe that spots on the surfaces of these stars and/or geometrical effects of circumstellar material might be responsible.
In this paper we introduce a fractional variant of the characteristic function of a random variable. It exists on the whole real line, and is uniformly continuous. We show that fractional moments can be expressed in terms of Riemann-Liouville integrals and derivatives of the fractional characteristic function. The fractional moments are of interest in particular for distributions whose integer moments do not exist. Some illustrative examples for particular distributions are also presented.
The scientific career and the research activities of Paul Boening, especially during his tenures at Tongji University in Shanghai (Woosung Campus, 1922-1936) and the Technical University of Wroclaw (TH Breslau, 1936-1945), are briefly reviewed. In particular, Boening's pioneering investigations in the area of electrets and space charge in dielectrics are emphasized. We attempt to shed some light on the significant achievements of a virtually unknown contributor to the early history of electrets and of space-charge research and high-voltage engineering, during the 1920s and 1930s. It should be noted that dielectrics research was a truly international endeavor already at that time.
We develop an encounter-based approach for describing restricted diffusion with a gradient drift toward a partially reactive boundary. For this purpose, we introduce an extension of the Dirichlet-to-Neumann operator and use its eigenbasis to derive a spectral decomposition for the full propagator, i.e. the joint probability density function for the particle position and its boundary local time. This is the central quantity that determines various characteristics of diffusion-influenced reactions such as conventional propagators, survival probability, first-passage time distribution, boundary local time distribution, and reaction rate. As an illustration, we investigate the impact of a constant drift onto the boundary local time for restricted diffusion on an interval. More generally, this approach accesses how external forces may influence the statistics of encounters of a diffusing particle with the reactive boundary.
Biodiversity loss is a result of interacting ecological and economic factors, and it must be addressed through an analysis of biodiversity conservation policies. Ecological-economic modelling is a helpful approach to this analysis, but it is also challenging since modellers often have a specific disciplinary background and tend to misrepresent either the ecological or economic aspects. Here, we introduce some of the most important concepts from both disciplines, and since the two modelling cultures also differ between the two disciplines, we present an integrated, consistent guide through all the steps of generic ecological-economic modelling, such as formulation of the research question, development of the conceptual model, model parametrisation and analysis, and interpretation of model results. Although we focus on generic models aimed at a general understanding of causes and remedies for biodiversity loss, the concepts and guidance provided here may also help in the modelling of more specific conservation problems. This guide is aimed at the intersection of three disciplines: ecology, economics and mathematical modelling, and addresses readers who have some knowledge in at least one of these disciplines and want to learn about the others to build and analyse generic ecological-economic models. Compared to textbooks, the guide focuses on the practice of modelling rather than lengthy explanations of theoretical concepts. We attempt to demonstrate that generic ecological-economic modelling does not require magical powers and instead is a manageable exercise.
Recently, glasses, a subset of amorphous solids, have gained attention in various fields, such as polymer chemistry, optical fibers, and pharmaceuticals. One of their characteristic features, the glass transition temperature (T-g) which is absent in 100% crystalline materials, influences several material properties, such as free volume, enthalpy, viscosity, thermodynamic transitions, molecular motions, physical stability, mechanical properties, etc. In addition to T-g, there may be several other temperaturedependent transitions known as sub-T-g transitions (or beta-, gamma-, and delta-relaxations) which are identified by specific analytical techniques. The study of T-g and sub-T-g transitions occurring in amorphous solids has gained much attention because of its importance in understanding molecular kinetics, and it requires the combination of conventional and novel characterization techniques. In the present study, three different analytical techniques [modulated differential scanning calorimetry (mDSC), dynamic mechanical analysis (DMA), and dielectric relaxation spectroscopy (DRS)] were used to perform comprehensive qualitative/quantitative characterization of molecular relaxations, miscibility, and molecular interactions present in an amorphous polymer (PVPVA), a model drug (indomethacin, IND), and IND/PVPVA-based amorphous solid dispersions (ASDs). This is the first ever reported DMA study on PVPVA in its powder form, which avoids the contribution of solvent to the mechanical properties when a selfstanding polymer film is used. A good correlation between the techniques in determining the T-g value of PVPVA, IND, and IND/ PVPVA-based ASDs is established, and the negligible difference (within 10 degrees C) is attributed to the different material properties assessed in each technique. However, the overall T-g behavior, the decrease in T-g with increase in drug loading in ASDs, is universally observed in all the above-mentioned techniques, which reveals their complementarity. DMA and DRS techniques are used to study the different sub-T-g transitions present in PVPVA, amorphous IND, and IND/PVPVA-based ASDs because these transitions are normally too weak or too broad for mDSC to detect. For IND/PVPVA-based ASDs, both techniques show a shift of sub-T-g transitions (or secondary relaxation peaks) toward the high-temperature region from -140 to -45 degrees C. Thus, this paper outlines the usage of different solid-state characterization techniques in understanding the different molecular dynamics present in the polymer, drug, and their interactions in ASDs with the integrated information obtained from individual techniques.
The stable operation of a turbulent combustor is not completely silent; instead, there is a background of small amplitude aperiodic acoustic fluctuations known as combustion noise. Pressure fluctuations during this state of combustion noise are multifractal due to the presence of multiple temporal scales that contribute to its dynamics. However, existing models are unable to capture the multifractality in the pressure fluctuations. We conjecture an underlying fractional dynamics for the thermoacoustic system and obtain a fractional-order model for pressure fluctuations. The data from this model has remarkable visual similarity to the experimental data and also has a wide multifractal spectrum during the state of combustion noise. Quantitative similarity with the experimental data in terms of the Hurst exponent and the multifractal spectrum is observed during the state of combustion noise. This model is also able to produce pressure fluctuations that are qualitatively similar to the experimental data acquired during intermittency and thermoacoustic instability. Furthermore, we argue that the fractional dynamics vanish as we approach the state of thermoacoustic instability.
The origin and structure of magnetic fields in the Galaxy are largely unknown. What is known is that they are essential for several astrophysical processes, in particular the propagation of cosmic rays. Our ability to describe the propagation of cosmic rays through the Galaxy is severely limited by the lack of observational data needed to probe the structure of the Galactic magnetic field on many different length scales. This is particularly true for modelling the propagation of cosmic rays into the Galactic halo, where our knowledge of the magnetic field is particularly poor.
In the last decade, observations of the Galactic halo in different frequency regimes have revealed the existence of out-of-plane bubble emission in the Galactic halo. In gamma rays these bubbles have been termed Fermi bubbles with a radial extent of ≈ 3 kpc and an azimuthal height of ≈ 6 kpc. The radio counterparts of the Fermi bubbles were seen by both the S-PASS telescopes and the Planck satellite, and showed a clear spatial overlap. The X-ray counterparts of the Fermi bubbles were named eROSITA bubbles after the eROSITA satellite, with a radial width of ≈ 7 kpc and an azimuthal height of ≈ 14 kpc. Taken together, these observations suggest the presence of large extended Galactic Halo Bubbles (GHB) and have stimulated interest in exploring the less explored Galactic halo.
In this thesis, a new toy model (GHB model) for the magnetic field and non-thermal electron distribution in the Galactic halo has been proposed. The new toy model has been used to produce polarised synchrotron emission sky maps. Chi-square analysis was used to compare the synthetic skymaps with the Planck 30 GHz polarised skymaps. The obtained constraints on the strength and azimuthal height were found to be in agreement with the S-PASS radio observations.
The upper, lower and best-fit values obtained from the above chi-squared analysis were used to generate three separate toy models. These three models were used to propagate ultra-high energy cosmic rays. This study was carried out for two potential sources, Centaurus A and NGC 253, to produce magnification maps and arrival direction skymaps. The simulated arrival direction skymaps were found to be consistent with the hotspots of Centaurus A and NGC 253 as seen in the observed arrival direction skymaps provided by the Pierre Auger Observatory (PAO).
The turbulent magnetic field component of the GHB model was also used to investigate the extragalactic dipole suppression seen by PAO. UHECRs with an extragalactic dipole were forward-tracked through the turbulent GHB model at different field strengths. The suppression in the dipole due to the varying diffusion coefficient from the simulations was noted. The results could also be compared with an analytical analogy of electrostatics. The simulations of the extragalactic dipole suppression were in agreement with similar studies carried out for galactic cosmic rays.
Organic solar cells (OSCs) represent a new generation of solar cells with a range of captivating attributes including low-cost, light-weight, aesthetically pleasing appearance, and flexibility. Different from traditional silicon solar cells, the photon-electron conversion in OSCs is usually accomplished in an active layer formed by blending two kinds of organic molecules (donor and acceptor) with different energy levels together.
The first part of this thesis focuses on a better understanding of the role of the energetic offset and each recombination channel on the performance of these low-offset OSCs. By combining advanced experimental techniques with optical and electrical simulation, the energetic offsets between CT and excitons, several important insights were achieved: 1. The short circuit current density and fill-factor of low-offset systems are largely determined by field-dependent charge generation in such low-offset OSCs. Interestingly, it is strongly evident that such field-dependent charge generation originates from a field-dependent exciton dissociation yield. 2. The reduced energetic offset was found to be accompanied by strongly enhanced bimolecular recombination coefficient, which cannot be explained solely by exciton repopulation from CT states. This implies the existence of another dark decay channel apart from CT.
The second focus of the thesis was on the technical perspective. In this thesis, the influence of optical artifacts in differential absorption spectroscopy upon the change of sample configuration and active layer thickness was studied. It is exemplified and discussed thoroughly and systematically in terms of optical simulations and experiments, how optical artifacts originated from non-uniform carrier profile and interference can manipulate not only the measured spectra, but also the decay dynamics in various measurement conditions. In the end of this study, a generalized methodology based on an inverse optical transfer matrix formalism was provided to correct the spectra and decay dynamics manipulated by optical artifacts.
Overall, this thesis paves the way for a deeper understanding of the keys toward higher PCEs in low-offset OSC devices, from the perspectives of both device physics and characterization techniques.
Theory predicts that the temperature of the X-ray-emitting gas (similar to 10(6) K) detected from planetary nebulae (PNe) is a consequence of mixing or thermal conduction when in contact with the ionized outer rim (similar to 10(4) K). Gas at intermediate temperatures (similar to 10(5) K) can be used to study the physics of the production of X-ray-emitting gas, via C iv, N v, and O vi ions. Here, we model the stellar atmosphere of the CSPN of NGC 1501 to demonstrate that even this hot H-deficient [WO4]-type star cannot produce these emission lines by photoionization. We use the detection of the C iv lines to assess the physical properties of the mixing region in this PNe in comparison with its X-ray-emitting gas, rendering NGC 1501 only the second PNe with such characterization. We extend our predictions to the hottest [WO1] and cooler [WC5] spectral types and demonstrate that most energetic photons are absorbed in the dense winds of [WR] CSPN and highly ionized species can be used to study the physics behind the production of hot bubbles in PNe. We found that the UV observations of NGC 2452, NGC 6751, and NGC 6905 are consistent with the presence mixing layers and hot bubbles, providing excellent candidates for future X-ray observations.
In this study we analyze the storm-time evolution of equatorial electron pitch angle distributions (PADs) in the outer radiation belt region using observations from the Magnetic Electron Ion Spectrometer (MagEIS) instrument aboard the Van Allen Probes in 2012-2019. The PADs are approximated using a sum of the first, third and fifth sine harmonics. Different combinations of the respective coefficients refer to the main PAD shapes within the outer radiation belt, namely the pancake, flat-top, butterfly and cap PADs. We conduct a superposed epoch analysis of 129 geomagnetic storms and analyze the PAD evolution for day and night MLT sectors. PAD shapes exhibit a strong energy-dependent response. At energies of tens of keV, the PADs exhibit little variation throughout geomagnetic storms. Cap PADs are mainly observed at energies < 300 keV, and their extent in L shrinks with increasing energy. The cap distributions transform into the pancake PADs around the main phase of the storm on the nightside, and then come back to their original shapes during the recovery phase. At higher energies on the dayside, the PADs are mainly pancake during pre-storm conditions and become more anisotropic during the main phase. The quiet-time butterfly PADs can be observed on the nightside at L> 5.6. During the main phase, butterfly PADs have stronger 90 degrees-minima and can be observed at lower L-shells (down to L = 5), then transitioning into flat-top PADs at L similar to 4.5 - 5 and pancake PADs at L < 4.5. The resulting PAD coefficients for different energies, locations and storm epochs can be used to test the wave models and physics-based radiation belt codes in terms of pitch angle distributions.
Hot subdwarf B stars are core-helium-burning objects that have undergone envelope stripping, likely by a binary companion. Using high-speed photometry from the Transiting Exoplanet Survey Satellite, we have discovered the hot subdwarf BPM 36430 is a hybrid sdBV(rs) pulsator exhibiting several low-amplitude g-modes and a strong p-mode pulsation. The latter shows a clear, periodic variation in its pulse arrival times. Fits to this phase oscillation imply BPM 36430 orbits a barycenter approximately 10 light-seconds away once every 3.1 days. Using the CHIRON echelle spectrograph on the CTIO 1.5 m telescope, we confirm the reflex motion by detecting a radial-velocity variation with semiamplitude, period, and phase in agreement with the pulse timings. We conclude that a white dwarf companion with minimum mass of approximate to 0.42 M (circle dot) orbits BPM 36430. Our study represents only the second time a companion orbiting a pulsating hot subdwarf or white dwarf has been detected from pulse timings and confirmed with radial velocities.
We report the detection of electron spin resonance (ESR) in individual dimers of the stable free radical 2,2,6,6tetramethyl-piperidine-1-oxyl (TEMPO). ESR is measured by the current fluctuations in a scanning tunneling microscope (ESR-STM method). The multipeak power spectra, distinct from macroscopic data, are assigned to dimers having exchange and Dzyaloshinskii-Moriya interactions in the presence of spin-orbit coupling. These interactions are generated in our model by interfering electronic tunneling pathways from tip to sample via the dimer???s two molecules. This is the first demonstration that tunneling via two spins is a valid mechanism of the ESR-STM method.
The optical signatures of molecular-doping induced polarons in poly(3-hexylthiophene-2,5-diyl)
(2020)
Optical absorption spectroscopy is a key method to investigate doped conjugated polymers and to characterize the doping-induced charge carriers, i.e., polarons. For prototypical poly(3-hexylthiophene-2,5-diyl) (P3HT), the absorption intensity of molecular dopant induced polarons is widely used to estimate the carrier density and the doping efficiency, i.e., the number of polarons formed per dopant molecule. However, the dependence of the polaron-related absorption features on the structure of doped P3HT, being either aggregates or separated individual chains, is not comprehensively understood in contrast to the optical absorption features of neutral P3HT. In this work, we unambiguously differentiate the optical signatures of polarons on individual P3HT chains and aggregates in solution, notably the latter exhibiting the same shape as aggregates in solid thin films. This is enabled by employing tris(pentafluorophenyl)borane (BCF) as dopant, as this dopant forms only ion pairs with P3HT and no charge transfer complexes, and BCF and its anion have no absorption in the spectral region of P3HT polarons. Polarons on individual chains exhibit absorption peaks at 1.5 eV and 0.6 eV, whereas in aggregates the high-energy peak is split into a doublet 1.3 eV and 1.65 eV, and the low-energy peak is shifted below 0.5 eV. The dependence of the fraction of solvated individual chains versus aggregates on absolute solution concentration, dopant concentration, and temperature is elucidated, and we find that aggregates predominate in solution under commonly used processing conditions. Aggregates in BCF-doped P3HT solution can be effectively removed upon simple filtering. From varying the filter pore size (down to 200 nm) and thin film morphology characterization with scanning force microscopy we reveal the aggregates' size dependence on solution absolute concentration and dopant concentration. Furthermore, X-ray photoelectron spectroscopy shows that the dopant loading in aggregates is higher than for individual P3HT chains. The results of this study help understanding the impact of solution pre-aggregation on thin film properties of molecularly doped P3HT, and highlight the importance of considering such aggregation for other doped conjugated polymers in general.
In their comment on our paper (Caesar et al 2020 Environ. Res. Lett. 15 024003), Chen and Tung (hereafter C&T) argue that our analysis, showing that over the last decades Atlantic meridional overturning circulation (AMOC) strength and global mean surface temperature (GMST) were positively correlated, is incorrect. Their claim is mainly based on two arguments, neither of which is justified: first, C&T claim that our analysis is based on 'established evidence' that was only true for preindustrial conditions-this is not the case. Using data from the modern period (1947-2012), we show that the established understanding (i.e. deep-water formation in the North Atlantic cools the deep ocean and warms the surface) is correct, but our analysis is not based on this fact. Secondly, C&T claim that our results are based on a statistical analysis of only one cycle of data which was furthermore incorrectly detrended. This, too, is not true. Our conclusion that a weaker AMOC delays the current surface warming rather than enhances it, is based on several independent lines of evidence. The data we show to support this covers more than one cycle and the detrending (which was performed to avoid spurious correlations due to a common trend) does not affect our conclusion: the correlation between AMOC strength and GMST is positive. We do not claim that this is strong evidence that the two time series are in phase, but rather that this means that the two time series are not anti-correlated.
Based on micromagnetic simulations and experimental observations of the magnetization and lattice dynamics after the direct optical excitation of the magnetic insulator Bi : YIG or indirect excitation via an optically opaque Pt/Cu double layer, we disentangle the dynamical effects of magnetic anisotropy and magneto-elastic coupling. The strain and temperature of the lattice are quantified via modeling ultrafast x-ray diffraction data. Measurements of the time-resolved magneto-optical Kerr effect agree well with the magnetization dynamics simulated according to the excitation via two mechanisms: the magneto-elastic coupling to the experimentally verified strain dynamics and the ultrafast temperature-induced transient change in the magnetic anisotropy. The numerical modeling proves that, for direct excitation, both mechanisms drive the fundamental mode with opposite phase. The relative ratio of standing spin wave amplitudes of higher-order modes indicates that both mechanisms are substantially active.
The remarkable progress of metal halide perovskites in photovoltaics has led to the power conversion efficiency approaching 26%. However, practical applications of perovskite-based solar cells are challenged by the stability issues, of which the most critical one is photo-induced degradation. Bare CH3NH3PbI3 perovskite films are known to decompose rapidly, with methylammonium and iodine as volatile species and residual solid PbI2 and metallic Pb, under vacuum under white light illumination, on the timescale of minutes. We find, in agreement with previous work, that the degradation is non-uniform and proceeds predominantly from the surface, and that illumination under N-2 and ambient air (relative humidity 20%) does not induce substantial degradation even after several hours. Yet, in all cases the release of iodine from the perovskite surface is directly identified by X-ray photoelectron spectroscopy. This goes in hand with a loss of organic cations and the formation of metallic Pb. When CH3NH3PbI3 films are covered with a few nm thick organic capping layer, either charge selective or non-selective, the rapid photodecomposition process under ultrahigh vacuum is reduced by more than one order of magnitude, and becomes similar in timescale to that under N-2 or air. We conclude that the light-induced decomposition reaction of CH3NH3PbI3, leading to volatile methylammonium and iodine, is largely reversible as long as these products are restrained from leaving the surface. This is readily achieved by ambient atmospheric pressure, as well as a thin organic capping layer even under ultrahigh vacuum. In addition to explaining the impact of gas pressure on the stability of this perovskite, our results indicate that covalently "locking" the position of perovskite components at the surface or an interface should enhance the overall photostability.
Organic solar cells with large insensitivity to donor polymer molar mass across all acceptor classes
(2020)
Donor polymer number-average molar mass (M-n) has long been known to influence organic photovoltaic (OPV) performance via changes in both the polymer properties and the resulting bulk heterojunction morphology. The exact nature of these M-n effects varies from system to system, although there is generally some intermediate M-n that results in optimal performance. Interestingly, our earlier work with the difluorobenzotriazole (FTAZ)-based donor polymer, paired with either N2200 (polymer acceptor) or PC61BM (fullerene acceptor), PcBm demonstrated <10% variation in power conversion efficiency and a consistent morphology over a large span of M-n (30 kg/mol to over 100 kg/mol). Would such insensitivity to polymer M-n still hold true when prevailing small molecular acceptors were used with FTAZ? To answer this question, we explored the impact of FTAZ on OPVs with ITIC, a high-performance small-molecule fused-ring electron acceptor (FREA). By probing the photovoltaic characteristics of the resulting OPVs, we show that a similar FTAZ mn insensitivity is also found in the FTAZ:ITIC system. This study highlights a single-donor polymer which, when paired with an archetypal fullerene, polymer, and FREA, results in systems that are largely insensitive to donor M. Our results may have implications in polymer batch-to-batch reproducibility, in particular, relaxing the need for tight M-n control during synthesis.
Tropical cyclones range among the costliest disasters on Earth. Their economic repercussions along the supply and trade network also affect remote economies that are not directly affected. We here simulate possible global repercussions on consumption for the example case of Hurricane Sandy in the US (2012) using the shock-propagation model Acclimate. The modeled shock yields a global three-phase ripple: an initial production demand reduction and associated consumption price decrease, followed by a supply shortage with increasing prices, and finally a recovery phase. Regions with strong trade relations to the US experience strong magnitudes of the ripple. A dominating demand reduction or supply shortage leads to overall consumption gains or losses of a region, respectively. While finding these repercussions in historic data is challenging due to strong volatility of economic interactions, numerical models like ours can help to identify them by approaching the problem from an exploratory angle, isolating the effect of interest. For this, our model simulates the economic interactions of over 7000 regional economic sectors, interlinked through about 1.8 million trade relations. Under global warming, the wave-like structures of the economic response to major hurricanes like the one simulated here are likely to intensify and potentially overlap with other weather extremes.
Due to climate change the frequency and character of precipitation are changing as the hydrological cycle intensifies. With regards to snowfall, global warming has two opposing influences; increasing humidity enables intense snowfall, whereas higher temperatures decrease the likelihood of snowfall. Here we show an intensification of extreme snowfall across large areas of the Northern Hemisphere under future warming. This is robust across an ensemble of global climate models when they are bias-corrected with observational data. While mean daily snowfall decreases, both the 99th and the 99.9th percentiles of daily snowfall increase in many regions in the next decades, especially for Northern America and Asia. Additionally, the average intensity of snowfall events exceeding these percentiles as experienced historically increases in many regions. This is likely to pose a challenge to municipalities in mid to high latitudes. Overall, extreme snowfall events are likely to become an increasingly important impact of climate change in the next decades, even if they will become rarer, but not necessarily less intense, in the second half of the century.
Context.
The supergiant ionized shell SMC-SGS 1 (DEM 167), which is located in the outer Wing of the Small Magellanic Cloud (SMC), resembles structures that originate from an energetic star-formation event and later stimulate star formation as they expand into the ambient medium. However, stellar populations within and surrounding SMC-SGS 1 tell a different story. Aims. We present a photometric study of the stellar population encompassed by SMC-SGS 1 in order to trace the history of such a large structure and its potential influence on star formation within the low-density, low-metallicity environment of the SMC.
Methods.
For a stellar population that is physically associated with SMC-SGS 1, we combined near-ultraviolet (NUV) photometry from the Galaxy Evolution Explorer with archival optical (V-band) photometry from the ESO Danish 1.54 m Telescope. Given their colors and luminosities, we estimated stellar ages and masses by matching observed photometry to theoretical stellar isochrone models. Results. We find that the investigated region supports an active, extended star-formation event spanning similar to 25-40 Myr ago, as well as continued star formation into the present. Using a standard initial mass function, we infer a lower bound on the stellar mass from this period of similar to 3 x 10(4) M-circle dot, corresponding to a star-formation intensity of similar to 6 x 10(-3) M-circle dot kpc(-2) yr(-1).
Conclusions.
The spatial and temporal distributions of young stars encompassed by SMC-SGS 1 imply a slow, consistent progression of star formation over millions of years. Ongoing star formation, both along the edge and interior to SMC-SGS 1, suggests a combined stimulated and stochastic mode of star formation within the SMC Wing. We note that a slow expansion of the shell within this low-density environment may preserve molecular clouds within the volume of the shell, leaving them to form stars even after nearby stellar feedback expels local gas and dust.
The DNA interaction with cis-isomers of photosensitive azobenzene-containing surfactants was studied by both experimental methods and computer simulation. It was shown that before the organization of micelles, such surfactants in the cis-conformation form associates of only a single type with a disordered orientation of molecules. In contrast, for trans-isomers, there exist two types of associates with head-to-head or head-to-tail orientations of molecules in dependence on salt concentration in a solution. The comparison of cis- and trans-isomer binding to DNA and the influence of salt concentration on the formation of their complexes with DNA were studied. It was shown that cis-isomers interact with phosphate groups of DNA and that their molecules were also located along the minor groove of DNA.
It is demonstrated for the case of photo-excited ferrocyanide how time-resolved soft X-ray absorption spectroscopy in transmission geometry at the ligand K-edge and metal L-3-edge provides quantitatively equivalent valence electronic structure information, where signatures of photo-oxidation are assessed locally at the metal as well as the ligand. This allows for a direct and independent quantification of the number of photo-oxidized molecules at two soft X-ray absorption edges highlighting the sensitivity of X-ray absorption spectroscopy to the valence orbital occupation of 3d transition metal complexes throughout the soft X-ray range.
While the problem of the identification of mechanisms of hydrogen-assisted damage has and is being thoroughly studied, the quantitative analysis of such damage still lacks suitable tools. In fact, while, for instance, electron microscopy yields excellent characterization, the quantitative analysis of damage requires at the same time large field-of-views and high spatial resolution. Synchrotron X-ray refraction techniques do possess both features. Herein, it is shown how synchrotron X-ray refraction computed tomography (SXRCT) can quantify damage induced by hydrogen embrittlement in a lean duplex steel, yielding results that overperform even those achievable by synchrotron X-ray absorption computed tomography. As already reported in the literature, but this time using a nondestructive technique, it is shown that the hydrogen charge does not penetrate to the center of tensile specimens. By the comparison between virgin and hydrogen-charged specimens, it is deduced that cracks in the specimen bulk are due to the rolling process rather than hydrogen-assisted. It is shown that (micro)cracks propagate from the surface of tensile specimens to the interior with increasing applied strain, and it is deduced that a significant crack propagation can only be observed short before rupture.
Seasonal forecasts are of great interest in many areas. Knowing the amount of precipitation for the upcoming season in regions of water scarcity would facilitate a better water management. If farmers knew the weather conditions of the upcoming summer at sowing time, they could select those cereal species that are best adapted to these conditions. This would allow farmers to improve the harvest and potentially even reduce the amount of pesticides used. However, the undoubted advantages of seasonal forecasts are often opposed by their high degree of uncertainty. The great challenge of generating seasonal forecasts with lead times of several months mainly originates from the chaotic nature of the earth system. In a chaotic system, even tiny differences in the initial conditions can lead to strong deviations in the system’s state in the long run.
In this dissertation we propose an emergent machine learning approach for seasonal forecasting, called the AnlgModel. The AnlgModel combines the analogue method with myopic feature selection and bootstrapping. To benchmark the abilities of the AnlgModel we apply it to seasonal cyclone activity forecasts in the North Atlantic and Northwest Pacific. The AnlgModel demonstrates competitive hindcast skills with two operational forecasts and even outperforms these for long lead times.
In the second chapter we comprehend the forecasting strategy of the Anlg-Model. We thereby analyse the analogue selection process for the 2017 North Atlantic and the 2018 Northwest Pacific seasonal cyclone activity. The analysis shows that those climate indices which are known to influence the seasonal cyclone activity, such as the Niño 3.4 SST, are correctly represented among the selected analogues. Furthermore the selected analogues reflect large-scale climate patterns that were identified by expert reports as being determinative for these particular seasons.
In the third chapter we analyse the features that are used by the AnlgModel for its predictions. We therefore inspect the feature relevance (FR). The FR patterns learned by the AnlgModel show a high congruence with the predictor regions used by the operational forecasts. However, the AnlgModel also discovered new features, such as the SST anomaly in the Gulf of Guinea during November. This SST pattern exhibits a remarkably high predictive potential for the upcoming Atlantic hurricane activity.
In the final chapter we investigate potential mechanisms, that link two of these regions with high feature relevance to the Atlantic hurricane activity. We mainly focus on ocean surface transport. The ocean surface flow paths are calculated using Lagrangian particle analysis. We demonstrate that the FR patterns in the region of the Canary islands do not correspond with ocean surface transport. It is instead likely that these FR patterns fingerprint a wind transport of latent heat. The second region to be studied is situated in the Gulf of Guinea. Our analysis shows that the FR patterns seen there do fingerprint ocean surface transport. However, our simulations also show that at least one other mechanism is involved in linking the Gulf of Guinea SST anomaly in November to the hurricane activity of the upcoming season.
In this work the AnlgModel does not only demonstrate its outstanding forecast skills but also shows its capabilities as research tool for detecting oceanic and atmospheric mechanisms.
We analyze historical data of stock-market prices for multiple financial indices using the concept of delay-time averaging for the financial time series (FTS). The region of validity of our recent theoretical predictions [Cherstvy A G et al 2017 New J. Phys. 19 063045] for the standard and delayed time-averaged mean-squared 'displacements' (TAMSDs) of the historical FTS is extended to all lag times. As the first novel element, we perform extensive computer simulations of the stochastic differential equation describing geometric Brownian motion (GBM) which demonstrate a quantitative agreement with the analytical long-term price-evolution predictions in terms of the delayed TAMSD (for all stock-market indices in crisis-free times). Secondly, we present a robust procedure of determination of the model parameters of GBM via fitting the features of the price-evolution dynamics in the FTS for stocks and cryptocurrencies. The employed concept of single-trajectory-based time averaging can serve as a predictive tool (proxy) for a mathematically based assessment and rationalization of probabilistic trends in the evolution of stock-market prices.
We report a comparison of two photonic techniques for single-molecule sensing: fluorescence nanoscopy and optoplasmonic sensing. As the test system, oligonucleotides with and without fluorescent labels are transiently hybridized to complementary "docking" strands attached to gold nanorods. Comparing the measured single-molecule kinetics helps to examine the influence of the fluorescent labels as well as factors arising from different sensing geometries. Our results demonstrate that DNA dissociation is not significantly altered by the fluorescent labels and that DNA association is affected by geometric factors in the two techniques. These findings open the door to exploiting plasmonic sensing and fluorescence nanoscopy in a complementary fashion, which will aid in building more powerful sensors and uncovering the intricate effects that influence the behavior of single molecules.
Master equations are a vital tool to model heat flow through nanoscale thermodynamic systems. Most practical devices are made up of interacting subsystems and are often modelled using either local master equations (LMEs) or global master equations (GMEs). While the limiting cases in which either the LME or the GME breaks down are well understood, there exists a 'grey area' in which both equations capture steady-state heat currents reliably but predict very different transient heat flows. In such cases, which one should we trust? Here we show that, when it comes to dynamics, the local approach can be more reliable than the global one for weakly interacting open quantum systems. This is due to the fact that the secular approximation, which underpins the GME, can destroy key dynamical features. To illustrate this, we consider a minimal transport setup and show that its LME displays exceptional points (EPs). These singularities have been observed in a superconducting-circuit realisation of the model [1]. However, in stark contrast to experimental evidence, no EPs appear within the global approach. We then show that the EPs are a feature built into the Redfield equation, which is more accurate than the LME and the GME. Finally, we show that the local approach emerges as the weak-interaction limit of the Redfield equation, and that it entirely avoids the secular approximation.
Due to their electrically polarized air-filled internal pores, optimized ferroelectrets exhibit a remarkable piezoelectric response, making them suitable for energy harvesting. Expanded polytetrafluoroethylene (ePTFE) ferroelectret films are laminated with two fluorinated-ethylene-propylene (FEP) copolymer films and internally polarized by corona discharge. Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS)-coated spandex fabric is employed for the electrodes to assemble an all-organic ferroelectret nanogenerator (FENG). The outer electret-plus-electrode double layers form active device layers with deformable electric dipoles that strongly contribute to the overall piezoelectric response in the proposed concept of wearable nanogenerators. Thus, the FENG with spandex electrodes generates a short-circuit current which is twice as high as that with aluminum electrodes. The stacking sequence spandex/FEP/ePTFE/FEP/ePTFE/FEP/spandex with an average pore size of 3 mu m in the ePTFE films yields the best overall performance, which is also demonstrated by the displacement-versus-electric-field loop results. The all-organic FENGs are stable up to 90 degrees C and still perform well 9 months after being polarized. An optimized FENG makes three light emitting diodes (LEDs) blink twice with the energy generated during a single footstep. The new all-organic FENG can thus continuously power wearable electronic devices and is easily integrated, for example, with clothing, other textiles, or shoe insoles.
We study the diffusive motion of a particle in a subharmonic potential of the form U(x) = |x|( c ) (0 < c < 2) driven by long-range correlated, stationary fractional Gaussian noise xi ( alpha )(t) with 0 < alpha <= 2. In the absence of the potential the particle exhibits free fractional Brownian motion with anomalous diffusion exponent alpha. While for an harmonic external potential the dynamics converges to a Gaussian stationary state, from extensive numerical analysis we here demonstrate that stationary states for shallower than harmonic potentials exist only as long as the relation c > 2(1 - 1/alpha) holds. We analyse the motion in terms of the mean squared displacement and (when it exists) the stationary probability density function. Moreover we discuss analogies of non-stationarity of Levy flights in shallow external potentials.
We introduce non-Markovian SIR epidemic spreading model inspired by the characteristics of the COVID-19, by considering discrete-and continuous-time versions. The distributions of infection intensity and recovery period may take an arbitrary form. By taking corresponding choice of these functions, it is shown that the model reduces to the classical Markovian case. The epidemic threshold is analytically determined for arbitrary functions of infectivity and recovery and verified numerically. The relevance of the model is shown by modeling the first wave of the epidemic in Italy, Spain and the UK, in the spring, 2020.
In our fast-changing world, human-machine interfaces (HMIs) are of ever-increasing importance. Among the most ubiquitous examples are touchscreens that most people are familiar with from their smartphones. The quality of such an HMI can be improved by adding haptic feedback-an imitation of using mechanical buttons-to the touchscreen. Thin-film actuators on the basis of electro-mechanically active polymers (EAPs), with the electroactive material sandwiched between two compliant electrodes, offer a promising technology for haptic surfaces. In thin-film technology, the thickness and the number of stacked layers of the electroactive dielectric are key parameters for tuning a system. Therefore, we have experimentally investigated the influence of the thickness of a single EAP layer on the electrical and the electro-mechanical performance of the transducer. In order to achieve high electro-mechanical actuator outputs, we have employed relaxor-ferroelectric ter-fluoropolymers that can be screen-printed. By means of a model-based approach, we have also directly compared single- and multi-layer actuators, thus providing guidelines for optimized transducer configurations with respect to the system requirements of haptic applications for which the operation frequency is of particular importance.
Glacial-cycle simulations of the Antarctic Ice Sheet with the Parallel Ice Sheet Model (PISM)
(2020)
The Parallel Ice Sheet Model (PISM) is applied to the Antarctic Ice Sheet over the last two glacial cycles (approximate to 210 000 years) with a resolution of 16 km. An ensemble of 256 model runs is analyzed in which four relevant model parameters have been systematically varied using full-factorial parameter sampling. Parameters and plausible parameter ranges have been identified in a companion paper (Albrecht et al., 2020) and are associated with ice dynamics, climatic forcing, basal sliding and bed deformation and represent distinct classes of model uncertainties. The model is scored against both modern and geologic data, including reconstructed grounding-line locations, elevation-age data, ice thickness, surface velocities and uplift rates. An aggregated score is computed for each ensemble member that measures the overall model-data misfit, including measurement uncertainty in terms of a Gaussian error model (Briggs and Tarasov, 2013). The statistical method used to analyze the ensemble simulation results follows closely the simple averaging method described in Pollard et al. (2016).
This analysis reveals clusters of best-fit parameter combinations, and hence a likely range of relevant model and boundary parameters, rather than individual best-fit parameters. The ensemble of reconstructed histories of Antarctic Ice Sheet volumes provides a score-weighted likely range of sea-level contributions since the Last Glacial Maximum (LGM) of 9.4 +/- 4.1m (or 6.5 +/- 2.0 x 10(6) km(3)), which is at the upper range of most previous studies. The last deglaciation occurs in all ensemble simulations after around 12 000 years before present and hence after the meltwater pulse 1A (MWP1a). Our ensemble analysis also provides an estimate of parametric uncertainty bounds for the present-day state that can be used for PISM projections of future sea-level contributions from the Antarctic Ice Sheet.
Transition path dynamics have been widely studied in chemical, physical, and technological systems. Mostly, the transition path dynamics is obtained for smooth barrier potentials, for instance, generic inverse-parabolic shapes. We here present analytical results for the mean transition path time, the distribution of transition path times, the mean transition path velocity, and the mean transition path shape in a rough inverted parabolic potential function under the driving of Gaussian white noise. These are validated against extensive simulations using the forward flux sampling scheme in parallel computations. We observe how precisely the potential roughness, the barrier height, and the noise intensity contribute to the particle transition in the rough inverted barrier potential.
A comprehensive photometric and spectroscopic analysis of the variable TYC 5532-1333-1 (TYC) along with an investigation of its orbital period variation is presented for the first time. The B- and V-band photometric study indicates that TYC is an intermediate contact binary with degree of contact and mass ratio of 34 per cent and similar to 0.24, respectively. The derived equivalent widths from the spectroscopic study of H alpha and Na-I lines reveal phase-dependent variation and mutual correlation. Using the available times of minimum light, an investigation of orbital period variation shows a long-term decrease at a rate of 3.98 x 10(-6) d yr(-1). Expected causes for such decline in the orbital period could be angular momentum loss and a quasi-sinusoidal variation due to light-time effect probably caused by a third-body companion. The minimum mass of the third body (M-3) was derived to be 0.65 M-circle dot. Our presented study is an attempt to evaluate and understand the evolutionary state of above-mentioned neglected contact binary.
The PM6:Y6 bulk-heterojunction (BHJ) blend system achieves high short-circuit current (J(SC)) values in thick photovoltaic junctions. Here we analyse these solar cells to understand the observed independence of the short-circuit current upon photoactive layer thickness. We employ a range of optoelectronic measurements and analyses, including Mott-Schottky analysis, CELIV, photoinduced absorption spectroscopy, mobility measurements and simulations, to conclude that, the invariant photocurrent for the devices with different active layer thicknesses is associated with the Y6's diffusion length exceeding 300 nm in case of a 300 nm thick cell. This is despite unintentional doping that occurs in PM6 and the associated space-charge effect, which is expected to be even more profound upon photogeneration. This extraordinarily long diffusion length - which is an order of magnitude larger than typical values for organics - dominates transport in the flat-band region of thick junctions. Our work suggests that the performance of the doped PM6:Y6 organic solar cells resembles that of inorganic devices with diffusion transport playing a pivotal role. Ultimately, this is expected to be a key requirement for the fabrication of efficient, high-photocurrent, thick organic solar cells.
An extinction-free estimator of the star formation rate (SFR) of galaxies is critical for understanding the high-redshift universe. To this end, the nearly linear, tight correlation of far-infrared (FIR), and radio luminosity of star-forming galaxies is widely used. While the FIR is linked to massive star formation, which also generates shock-accelerated cosmic-ray (CR) electrons and radio synchrotron emission, a detailed understanding of the underlying physics is still lacking. Hence, we perform three-dimensional magnetohydrodynamical (MHD) simulations of isolated galaxies over a broad range of halo masses and SFRs using the moving-mesh code AREPO, and evolve the CR proton energy density self-consistently. In post-processing, we calculate the steady-state spectra of primary, shock-accelerated and secondary CR electrons, which result from hadronic CR proton interactions with the interstellar medium. The resulting total radio luminosities correlate with the FIR luminosities as observed and are dominated by primary CR electrons if we account for anisotropic CR diffusion. The increasing contribution of secondary emission up to 30 per cent in starbursts is compensated by the larger bremsstrahlung and Coulomb losses. CR electrons are in the calorimetric limit and lose most of their energy through inverse Compton interactions with star light and cosmic microwave background (CMB) photons while less energy is converted into synchrotron emission. This implies steep steady-state synchrotron spectra in starbursts. Interestingly, we find that thermal free-free emission flattens the total radio spectra at high radio frequencies and reconciles calorimetric theory with observations while free-free absorption explains the observed low-frequency flattening towards the central regions of starbursts.
Neutrophil granulocytes are essential for the first host defense. After leaving the blood circulation they migrate efficiently towards sites of inflammation. They are guided by chemoattractants released from cells within the inflammatory foci. On a cellular level, directional migration is a consequence of cellular front-rear asymmetry which is induced by the concentration gradient of the chemoattractants. The generation and maintenance of this asymmetry, however, is not yet fully understood. Here we analyzed the paths of chemotacting neutrophils with different stochastic models to gain further insight into the underlying mechanisms. Wildtype chemotacting neutrophils show an anomalous superdiffusive behavior. CXCR2 blockade and TRPC6-knockout cause the tempering of temporal correlations and a reduction of chemotaxis. Importantly, such tempering is found both in vitro and in vivo. These findings indicate that the maintenance of anomalous dynamics is crucial for chemotactic behavior and the search efficiency of neutrophils.
The motility of neutrophils and their ability to sense and to react to chemoattractants in their environment are of central importance for the innate immunity. Neutrophils are guided towards sites of inflammation following the activation of G-protein coupled chemoattractant receptors such as CXCR2 whose signaling strongly depends on the activity of Ca2+ permeable TRPC6 channels. It is the aim of this study to analyze data sets obtained in vitro (murine neutrophils) and in vivo (zebrafish neutrophils) with a stochastic mathematical model to gain deeper insight into the underlying mechanisms. The model is based on the analysis of trajectories of individual neutrophils. Bayesian data analysis, including the covariances of positions for fractional Brownian motion as well as for exponentially and power-law tempered model variants, allows the estimation of parameters and model selection. Our model-based analysis reveals that wildtype neutrophils show pure superdiffusive fractional Brownian motion. This so-called anomalous dynamics is characterized by temporal long-range correlations for the movement into the direction of the chemotactic CXCL1 gradient. Pure superdiffusion is absent vertically to this gradient. This points to an asymmetric 'memory' of the migratory machinery, which is found both in vitro and in vivo. CXCR2 blockade and TRPC6-knockout cause tempering of temporal correlations in the chemotactic gradient. This can be interpreted as a progressive loss of memory, which leads to a marked reduction of chemotaxis and search efficiency of neutrophils. In summary, our findings indicate that spatially differential regulation of anomalous dynamics appears to play a central role in guiding efficient chemotactic behavior.
SwSt 1 (PN G001.5-06.7) is a bright and compact planetary nebula containing a late [WC]-type central star. Previous studies suggested that the nebular and stellar lines are slowly changing with time. We studied new and archival optical and ultraviolet spectra of the object. The [O III] 4959 and 5007 angstrom to H beta line flux ratios decreased between about 1976 and 1997/2015. The stellar spectrum also shows changes between these epochs. We modelled the stellar and nebular spectra observed at different epochs. The analyses indicate a drop of the stellar temperature from about 42 kK to 40.5 kK between 1976 and 1993. We do not detect significant changes between 1993 and 2015. The observations show that the star performed a loop in the H-R diagram. This is possible when a shell source is activated during its post-AGB evolution. We infer that a late thermal pulse (LTP) experienced by a massive post-AGB star can explain the evolution of the central star. Such a star does not expand significantly as the result of the LTP and does not became a born-again red giant. However, the released energy can remove the tiny H envelope of the star.
A scheme for simulations of resonant inelastic X-ray scattering (RIXS) cross-sections within time-dependent density functional theory (TD-DFT) applying the restricted subspace approximation (RSA) is presented. Therein both occupied core and valence Kohn-Sham orbitals are included in the donor-space, while the accepting virtual orbital space in the linear response TD-DFT equations is restricted to efficiently compute both the valence- and core-excited states of the many electron system. This yields a consistent description of all states contributing to the RIXS scattering process within a single calculation. The introduced orbital truncation allows to automatize the method and facilitates RIXS simulations for systems considerably larger than ones accessible with wave-function based methods. Using the nitrogen K-edge RIXS spectra of 2-thiopyridone and its deprotonated anion as a showcase, the method is benchmarked for different exchange-correlation functionals, the impact of the RSA is evaluated, and the effects of explicit solvation are discussed. Improvements compared to simulations in the frozen orbital approximation are also assessed. The general applicability of the framework is further tested by comparison to experimental data from the literature. The use of TD-DFT core-excited states to the calculation of vibrationally resolved RIXS spectra is also investigated by combining potential energy scans along relevant coordinates with wave packet simulations.
Cosmic-ray acceleration at non-relativistic shocks relies on scattering by turbulence that the cosmic rays drive upstream of the shock. We explore the rate of energy transfer from cosmic rays to non-resonant Bell modes and the spectral softening it implies. Accounting for the finite time available for turbulence driving at supernova-remnant shocks yields a smaller spectral impact than found earlier with steady-state considerations. Generally, for diffusion scaling with the Bohm rate by a factor eta, the change in spectral index is at most eta divided by the Alfvenic Mach number of the thermal sub-shock. For M (A) less than or similar to 50 it is well below this limit. Only for very fast shocks and very efficient cosmic-ray acceleration can the change in spectral index reach 0.1. For standard SNR parameters, it is negligible. Independent confirmation is derived by considering the synchrotron energy losses of electrons: if intense nonthermal multi-keV emission is produced, the energy loss, and hence the spectral steepening, is very small for hadronic cosmic rays that produce TeV-band gamma-ray emission.
Among various types of perovskite-based tandem solar cells (TSCs), all-perovskite TSCs are of particular attractiveness for building- and vehicle-integrated photovoltaics, or space energy areas as they can be fabricated on flexible and lightweight substrates with a very high power-to-weight ratio. However, the efficiency of flexible all-perovskite tandems is lagging far behind their rigid counterparts primarily due to the challenges in developing efficient wide-bandgap (WBG) perovskite solar cells on the flexible substrates as well as their low open-circuit voltage (V-OC). Here, it is reported that the use of self-assembled monolayers as hole-selective contact effectively suppresses the interfacial recombination and allows the subsequent uniform growth of a 1.77 eV WBG perovskite with superior optoelectronic quality. In addition, a postdeposition treatment with 2-thiopheneethylammonium chloride is employed to further suppress the bulk and interfacial recombination, boosting the V-OC of the WBG top cell to 1.29 V. Based on this, the first proof-of-concept four-terminal all-perovskite flexible TSC with a power conversion efficiency of 22.6% is presented. When integrating into two-terminal flexible tandems, 23.8% flexible all-perovskite TSCs with a superior V-OC of 2.1 V is achieved, which is on par with the V-OC reported on the 28% all-perovskite tandems grown on the rigid substrate.
The third observing run of the LIGO-Virgo Collaboration has resulted in many gravitational wave detections, including the binary neutron star merger GW190425. However, none of these events have been accompanied with an electromagnetic transient found during extensive follow-up searches. In this article, we perform new numerical-relativity simulations of binary neutron star and black hole-neutron star systems that have a chirp mass consistent with GW190425. Assuming that the GW190425's sky location was covered with sufficient accuracy during the electromagnetic follow-up searches, we investigate whether the nondetection of the kilonova is compatible with the source parameters estimated through the gravitational -wave analysis and how one can use this information to place constraints on the properties of the system. Our simulations suggest that GW190425 is incompatible with an unequal mass binary neutron star merger with a mass ratio q < 0.8 when considering stiff or moderately stiff equations of state if the binary was face on and covered by the observation. Our analysis shows that a detailed observational result for kilonovae will be useful to constrain the mass ratio of binary neutron stars in future events.
On the toroidal-velocity antidynamo theorem under the presence of nonuniform electric conductivity
(2022)
Laminar electrically conducting Couette flows with the hydrodynamically stable quasi-Keplerian rotation profile and nonuniform conductivity are probed for dynamo instability. In spherical geometry, the equations for the poloidal and the toroidal field components completely decouple, resulting in free decay, regardless of the spatial distribution of the electric conductivity. In cylindrical geometry the poloidal and toroidal components do not decouple, but here also we do not find dynamo excitations for the cases that the electric conductivity only depends on the radius or - much more complex- that it only depends on the azimuthal or the axial coordinate. The transformation of the plane-flow dynamo model of Busse and Wicht (1992) to cylindrical or spherical geometry therefore fails. It is also shown that even the inclusion of axial flows of both directions does not support the dynamo mechanism. The Elsasser toroidal-velocity antidynamo theorem, according to which dynamos without any radial velocity component cannot work, is thus not softened by nonuniform conductivity distributions.
The investigation of heavy ions dynamics and properties in the Earth's magnetosphere is still an important field of research as they play an important role in several space weather aspects. We present a statistical survey of the average ion mass in the dayside magnetosphere made comparing plasma mass density with electron number density measurements and focusing on both spatial and geomagnetic activity dependence. Field line resonance frequency observations across the European quasi-Meridional Magnetometer Array, are used to infer the equatorial plasma mass density in the range of magnetic L-shells 1.6-6.2. The electron number density is derived from local electric field measurements made on Van Allen Probes using the Neural-network-based Upper-hybrid Resonance Determination algorithm. The analysis is conducted separately for the plasmasphere and the plasmatrough during favorable periods for which both the plasma parameters are observed simultaneously. We found that throughout the plasmasphere the average ion mass is similar or equal to 1 amu for a wide range of geomagnetic activity conditions, suggesting that the plasma mainly consist of hydrogen ions, without regard to the level of geomagnetic activity. Conversely, the plasmatrough is characterized by a variable composition, highlighting a heavy ion mass loading that increases with increasing levels of geomagnetic disturbance. During the most disturbed conditions, the average radial structure shows a broad maximum around 3-4 Earth radii, probably correlated with the accumulation of oxygen ions near the plasmapause. Those ions are mostly observed in the post-dawn and pre-dusk longitudinal sectors.
Perovskite solar cells represent one of the recent success stories in photovoltaics. The device efficiency has been steadily increasing over the past years, but further work is needed to enhance the performance, for example, through the reduction of defects to prevent carrier recombination. SCAPS-1D simulations were performed to assess efficiency limits and identify approaches to decrease the impact of defects, through the selection of an optimal hole-transport material and a hole-collecting electrode. Particular attention was given to evaluation of the influence of bulk defects within light-absorbing CH3NH3SnI3 layers. In addition, the study demonstrates the influence of interface defects at the TiO2/CH3NH3SnI3 (IL1) and CH3NH3SnI3/HTL (IL2) interfaces across the similar range of defect densities. Finally, the optimal device architecture TiO2/CH3NH3SnI3/Cu2O is proposed for the given absorber layer using the readily available Cu2O hole-transporting material with PCE = 27.95%, FF = 84.05%, V-OC = 1.02 V and J(SC) = 32.60 mA/cm(2), providing optimal performance and enhanced resistance to defects.
Chelating agents are an integral part of transition metal complex chemistry with broad biological and industrial relevance. The hexadentate chelating agent ethylenediaminetetraacetic acid (EDTA) has the capability to bind to metal ions at its two nitrogen and four of its carboxylate oxygen sites. We use resonant inelastic X-ray scattering at the 1s absorption edge of the aforementioned elements in EDTA and the iron(III)-EDTA complex to investigate the impact of the metal-ligand bond formation on the electronic structure of EDTA. Frontier orbital distortions, occupation changes, and energy shifts through metal- ligand bond formation are probed through distinct spectroscopic signatures.
In crystalline and amorphous semiconductors, the temperature-dependent Urbach energy can be determined from the inverse slope of the logarithm of the absorption spectrum and reflects the static and dynamic energetic disorder. Using recent advances in the sensitivity of photocurrent spectroscopy methods, we elucidate the temperature-dependent Urbach energy in lead halide perovskites containing different numbers of cation components. We find Urbach energies at room temperature to be 13.0 +/- 1.0, 13.2 +/- 1.0, and 13.5 +/- 1.0 meV for single, double, and triple cation perovskite. Static, temperature-independent contributions to the Urbach energy are found to be as low as 5.1 ?+/- 0.5, 4.7 +/- 0.3, and 3.3 +/- 0.9 meV for the same systems. Our results suggest that, at a low temperature, the dominant static disorder in perovskites is derived from zero-point phonon energy rather than structural disorder. This is unusual for solution-processed semiconductors but broadens the potential application of perovskites further to quantum electronics and devices.
The manufacturability of metallic alloys using laser-based additive manufacturing methods such as laser powder bed fusion has substantially improved within the last decade. However, local melting and solidification cause hierarchically structured and crystallographically textured microstructures possessing large residual stress. Such microstructures are not only the origin of mechanical anisotropy but also pose metrological challenges for the diffraction-based residual stress determination. Here we demonstrate the influence of the build orientation and the texture on the microstructure and consequently the mechanical anisotropy of as-built Inconel 718. For this purpose, we manufactured specimens with [001]/[011]-, [001]- and [011]/[11 (1) over bar]-type textures along their loading direction. In addition to changes in the Young's moduli, the differences in the crystallographic textures result in variations of the yield and ultimate tensile strengths. With this in mind, we studied the anisotropy on the micromechanical scale by subjecting the specimens to tensile loads along the different texture directions during in situ neutron diffraction experiments. In this context, the response of multiple lattice planes up to a tensile strain of 10% displayed differences in the load partitioning and the residual strain accumulation for the specimen with [011]/[(1) over bar 11]-type texture. However, the relative behavior of the specimens possessing an [001] /[011]- and [001]-type texture remained qualitatively similar. The consequences on the metrology of residual stress determination methods are discussed.
The electronic and magnetic excitations of bulk NiO have been determined using the 3A2g to 3T2g crystal-field transition at the Ni M2,3 edges with resonant inelastic x-ray scattering at 66.3- and 67.9-eV photon energies and 33-meV spectral resolution. Unambiguous assignment of the high-energy side of this state to a spin-flip satellite is achieved. We extract an effective exchange field of 89±4 meV in the 3T2g excited final state from empirical two-peak spin-flip model. The experimental data is found consistent with crystal-field model calculations using exchange fields of 60–100 meV. Full agreement with crystal-field multiplet calculations is achieved for the incident photon energy dependence of line shapes. The lower exchange parameter in the excited state as compared to the ground-state value of 120 meV is discussed in terms of the modification of the orbital occupancy (electronic effects) and of the structural dynamics: (A) With pure electronic effects, the lower exchange energy is attributed to the reduction in effective hopping integral. (B) With no electronic effects, we use the S = 1 Heisenberg model of antiferromagnetism to derive a second-nearest-neighbor exchange constant J2 = 14.8±0.6 meV. Based on the linear correlation between J2 and the lattice parameter from pressure-dependent experiments, an upper limit of 2% local Ni-O bond elongation during the femtosecond scattering duration is derived.
Perovskite semiconductors differ from most inorganic and organic semiconductors due to the presence of mobile ions in the material. Although the phenomenon is intensively investigated, important questions such as the exact impact of the mobile ions on the steady-state power conversion efficiency (PCE) and stability remain. Herein, a simple method is proposed to estimate the efficiency loss due to mobile ions via "fast-hysteresis" measurements by preventing the perturbation of mobile ions out of their equilibrium position at fast scan speeds (approximate to 1000 V s(-1)). The "ion-free" PCE is between 1% and 3% higher than the steady-state PCE, demonstrating the importance of ion-induced losses, even in cells with low levels of hysteresis at typical scan speeds (approximate to 100mv s(-1)). The hysteresis over many orders of magnitude in scan speed provides important information on the effective ion diffusion constant from the peak hysteresis position. The fast-hysteresis measurements are corroborated by transient charge extraction and capacitance measurements and numerical simulations, which confirm the experimental findings and provide important insights into the charge carrier dynamics. The proposed method to quantify PCE losses due to field screening induced by mobile ions clarifies several important experimental observations and opens up a large range of future experiments.
Focusing on transient chaos
(2022)
Recent advances in the field of complex, transiently chaotic dynamics are reviewed, based on the results published in the focus issue of J. Phys. Complex. on this topic. One group of achievements concerns network dynamics where transient features are intimately related to the degree and stability of synchronization, as well as to the network topology. A plethora of various applications of transient chaos are described, ranging from the collective motion of active particles, through the operation of power grids, cardiac arrhythmias, and magnetohydrodynamical dynamos, to the use of machine learning to predict time evolutions. Nontraditional forms of transient chaos are also explored, such as the temporal change of the chaoticity in the transients (called doubly transient chaos), as well as transients in systems subjected to parameter drift, the paradigm of which is climate change.
The electron-phonon scattering is one of the main microscopic mechanisms responsible for the spin-flip in the transient state of ultrafast demagnetization. Here, we present an experimental determination of the temperature-dependent electron-phonon scattering rate in Gd. Using a static x-ray emission spectroscopy method, where the reduction of the decay peak intensities when increasing the temperature is quantified, we measure independently the electron-phonon scattering rate for the 5d and the 4f electrons. We deduce the temperature dependence of scattering for the 5d electrons, while no effect on the phonon population is observed for the 4f electrons. Our results suggest that the ultrafast magnetization dynamics in Gd is triggered by the spin-flip in the 5d electrons. We also evidence the existence of a temperature threshold, above which spin-flip scattering of the 5d electrons takes place. We deduce that during the transient state of ultrafast demagnetization, the exchange energy between 5d electrons has to be overcome before the microscopic electron-phonon scattering process can occur.
Anomalous diffusion with a power-law time dependence vertical bar R vertical bar(2)(t) similar or equal to t(alpha i) of the mean squared displacement occurs quite ubiquitously in numerous complex systems. Often, this anomalous diffusion is characterised by crossovers between regimes with different anomalous diffusion exponents alpha(i). Here we consider the case when such a crossover occurs from a first regime with alpha(1) to a second regime with alpha(2) such that alpha(2) > alpha(1), i.e., accelerating anomalous diffusion. A widely used framework to describe such crossovers in a one-dimensional setting is the bi-fractional diffusion equation of the so-called modified type, involving two time-fractional derivatives defined in the Riemann-Liouville sense. We here generalise this bi-fractional diffusion equation to higher dimensions and derive its multidimensional propagator (Green's function) for the general case when also a space fractional derivative is present, taking into consideration long-ranged jumps (Levy flights). We derive the asymptotic behaviours for this propagator in both the short- and long-time as well the short- and long-distance regimes. Finally, we also calculate the mean squared displacement, skewness and kurtosis in all dimensions, demonstrating that in the general case the non-Gaussian shape of the probability density function changes.
In recent years, gravitational-wave astronomy has motivated increasingly accurate perturbative studies of gravitational dynamics in compact binaries. This in turn has enabled more detailed analyses of the dynamical black holes in these systems. For example, Pound et al. [Phys. Rev. Lett. 124, 021101 (2020)] recently computed the surface area of a Schwarzschild black hole's apparent horizon, perturbed by an orbiting body, to second order in the binary's mass ratio. In this paper, we take that as the starting point for a comprehensive study of a perturbed Schwarzschild black hole's apparent and event horizon at second perturbative order, deriving generic formulas for the first- and second-order corrections to the horizons' radial profiles, surface areas, Hawking masses, and intrinsic curvatures. We find that the two horizons are remarkably similar, and that any teleological behavior of the event horizon is suppressed in several ways. Critically, we establish that at all orders, the perturbed event horizon in a small-mass-ratio binary is effectively localized in time. Even more pointedly, the event horizon is identical to the apparent horizon at linear order regardless of the source of perturbation, implying that the seemingly teleological "tidal lead," previously observed in linearly perturbed event horizons, is not genuinely teleological in origin. The two horizons do generically differ at second order, but their Hawking masses remain identical, implying that the event horizon obeys the same energy-flux balance law as the apparent horizon. At least in the case of a binary system, the difference between their surface areas remains extremely small even in the late stages of inspiral. In the course of our analysis, we also numerically illustrate puzzling behavior in the black hole's motion around the binary's center of mass.
The stratosphere is one of the main potential sources for subseasonal to seasonal predictability in midlatitudes in winter. The ability of an atmospheric model to realistically simulate the stratospheric dynamics is essential in order to move forward in the field of seasonal predictions in midlatitudes. Earlier studies with the ICOsahedral Nonhydrostatic atmospheric model (ICON) point out that stratospheric westerlies in ICON are underestimated. This is the first extensive study on the evaluation of Northern Hemisphere stratospheric winter circulation with ICON in numerical weather prediction (NWP) mode. Seasonal experiments with the default setup are able to reproduce the basic climatology of the stratospheric polar vortex. However, westerlies are too weak and major stratospheric warmings too frequent in ICON. Both a reduction of the nonorographic, and a reduction of the orographic gravity wave and wake drag lead to a strengthening of the stratospheric vortex and a bias reduction, in particular in January. However, the effect of the nonorographic gravity wave drag scheme on the stratosphere is stronger. Stratosphere-troposphere coupling is intensified and more realistic due to a reduced gravity wave drag. Furthermore, an adjustment of the subgrid-scale orographic drag parameterization leads to a significant error reduction in the mean sea level pressure. As a result of these findings, we present our current suggested improved setup for seasonal experiments with ICON-NWP. <br /> Plain Language Summary Although seasonal forecasts for midlatitudes have the potential to be highly beneficial to the public sector, they are still characterized by a large amount of uncertainty. Exact simulations of the circulation in the stratosphere can help to improve tropospheric predictability on seasonal time scales. For this reason, we investigate how well the new German atmospheric model is able to simulate the stratospheric circulation. The model reproduces the basic behavior of the Northern Hemisphere stratospheric polar vortex, but the westerly circulation in winter is underestimated. The stratospheric circulation is influenced by gravity waves that exert drag on the flow. These processes are only partly physically represented in the model, but are very important and are hence parameterized. By adjusting the parameterizations for the gravity wave drag, the stratospheric polar vortex is strengthened, thereby yielding a more realistic stratospheric circulation. In addition, the altered parameterizations improve the simulated surface pressure pattern. Based upon this, we present our current suggested improved model setup for seasonal experiments.
Uppsala and Berkeley
(2022)
The development of modern photoelectron spectroscopy is reviewed with a special focus on the importance of research at Uppsala University and at Berkeley. The influence of two pioneers, Kai Siegbahn and Dave Shirley, is underlined. Early interaction between the two centers helped to kick-start the field. Both laboratories have continued to play an important role in the field, both in terms of creating new experimental capabilities and developing the theoretical understanding of the spectroscopic processes.
The Dirac point of a topological surface state (TSS) is protected against gapping by time-reversal symmetry. Conventional wisdom stipulates, therefore, that only through magnetisation may a TSS become gapped. However, non-magnetic gaps have now been demonstrated in Bi2Se3 systems doped with Mn or In, explained by hybridisation of the Dirac cone with induced impurity resonances. Recent photoemission experiments suggest that an analogous mechanism applies even when Bi2Se3 is surface dosed with Au. Here, we perform a systematic spin- and angle-resolved photoemission study of Au-dosed Bi2Se3. Although there are experimental conditions wherein the TSS appears gapped due to unfavourable photoemission matrix elements, our photon-energy-dependent spectra unambiguously demonstrate the robustness of the Dirac cone against high Au coverage. We further show how the spin textures of the TSS and its accompanying surface resonances remain qualitatively unchanged following Au deposition, and discuss the mechanism underlying the suppression of the spectral weight.
Tautomerism is one of the most important forms of isomerism, owing to the facile interconversion between species and the large differences in chemical properties introduced by the proton transfer connecting the tautomers. Spectroscopic techniques are often used for the characterization of tautomers. In this context, separating the overlapping spectral response of coexisting tautomers is a long-standing challenge in chemistry. Here, we demonstrate that by using resonant inelastic X-ray scattering tuned to the core excited states at the site of proton exchange between tautomers one is able to experimentally disentangle the manifold of valence excited states of each tautomer in a mixture. The technique is applied to the prototypical keto-enol equilibrium of 3-hydroxypyridine in aqueous solution. We detect transitions from the occupied orbitals into the LUMO for each tautomer in solution, which report on intrinsic and hydrogen-bond-induced orbital polarization within the pi and sigma manifolds at the proton-transfer site.
Context.
Even after the Rosetta mission, some of the mechanical parameters of comet 67P/Churyumov-Gerasimenko's surface material are still not well constrained. They are needed to improve our understanding of cometary activity or for planning sample return procedures.
Aims.
We discuss the physical process dominating the formation of aeolian-like surface features in the form of moats and wind taillike bedforms around obstacles and investigate the mechanical and geometrical parameters involved.
Methods.
By applying the discrete element method (DEM) in a low-gravity environment, we numerically simulated the dynamics of the surface layer particles and the particle stream involved in the formation of aeolian-like morphological features. The material is composed of polydisperse spherical particles that consist of a mixture of dust and water ice, with interparticle forces given by the Hertz contact model, cohesion, friction, and rolling friction. We determined a working set of parameters that enables simulations to be reasonably realistic and investigated morphological changes when modifying these parameters.
Results.
The aeolian-like surface features are reasonably well reproduced using model materials with a tensile strength on the order of 0.1-1 Pa. Stronger materials and obstacles with round shapes impede the formation of a moat and a wind tail. The integrated dust flux required for the formation of moats and wind tails is on the order of 100 kg m(-2), which, based on the timescale of morphological changes inferred from Rosetta images, translates to a near-surface particle density on the order of 10(-6)-10(-4) kg m(-3).
Conclusions.
DEM modeling of the aeolian-like surface features reveals complex formation mechanisms that involve both deposition of ejected material and surface erosion. More numerical work and additional in situ measurements or sample return missions are needed to better investigate mechanical parameters of cometary surface material and to understand the mechanics of cometary activity.
As the use of free electron laser (FEL) sources increases, so do the findings mentioning non-linear phenomena occurring at these experiments, such as saturable absorption, induced transparency and scattering breakdowns. These are well known among the laser community, but are still rarely understood and expected among the X-ray community and to date lack tools and theories to accurately predict the respective experimental parameters and results. We present a simple theoretical framework to access short X-ray pulse induced light- matter interactions which occur at intense short X-ray pulses as available at FEL sources. Our approach allows to investigate effects such as saturable absorption, induced transparency and scattering suppression, stimulated emission, and transmission spectra, while including the density of state influence relevant to soft X-ray spectroscopy in, for example, transition metal complexes or functional materials. This computationally efficient rate model based approach is intuitively adaptable to most solid state sample systems in the soft X-ray spectrum with the potential to be extended for liquid and gas sample systems as well. The feasibility of the model to estimate the named effects and the influence of the density of state is demonstrated using the example of CoPd transition metal systems at the Co edge. We believe this work is an important contribution for the preparation, performance, and understanding of FEL based high intensity and short pulse experiments, especially on functional materials in the soft X-ray spectrum.
Suppression of the TeV Pair-beam-Plasma Instability by a Tangled Weak Intergalactic Magnetic Field
(2022)
We study the effect of a tangled sub-fG level intergalactic magnetic field (IGMF) on the electrostatic instability of a blazar-induced pair beam. Sufficiently strong IGMF may significantly deflect the TeV pair beams, which would reduce the flux of secondary cascade emission below the observational limits. A similar flux reduction may result from the electrostatic beam-plasma instability, which operates the best in the absence of IGMF. Considering IGMF with correlation lengths smaller than a kiloparsec, we find that weak magnetic fields increase the transverse momentum of the pair-beam particles, which dramatically reduces the linear growth rate of the electrostatic instability and hence the energy-loss rate of the pair beam. We show that the beam-plasma instability is eliminated as an effective energy-loss agent at a field strength three orders of magnitude below that needed to suppress the secondary cascade emission by magnetic deflection. For intermediate-strength IGMF, we do not know a viable process to explain the observed absence of GeV-scale cascade emission.
Current-day cosmic ray (CR) propagation studies use static Milky Way models and fit parametrized source distributions to data. Instead, we use three-dimensional magnetohydrodynamic (MHD) simulations of isolated galaxies with the moving-mesh code arepo that self-consistently accounts for hydrodynamic effects of CR protons. In post-processing, we calculate their steady-state spectra, taking into account all relevant loss processes. We show that this steady-state assumption is well justified in the disc and generally for regions that emit non-thermal radio and gamma rays. Additionally, we model the spectra of primary electrons, accelerated by supernova remnants, and secondary electrons and positrons produced in hadronic CR proton interactions with the gas. We find that proton spectra above 10 GeV only weakly depend on galactic radius, while they acquire a radial dependence at lower energies due to Coulomb interactions. Radiative losses steepen the spectra of primary CR electrons in the central galactic regions, while diffusive losses dominate in the outskirts. Secondary electrons exhibit a steeper spectrum than primaries because they originate from the transported steeper CR proton spectra. Consistent with Voyager-1 and AMS-02 data, our models (i) show a turnover of proton spectra below GeV energies due to Coulomb interactions so that electrons start to dominate the total particle spectra and (ii) match the shape of the positron fraction up to 10 GeV. We conclude that our steady-state CR modelling in MHD CR galaxy simulations is sufficiently realistic to capture the dominant transport effects shaping their spectra, arguing for a full MHD treatment to accurately model CR transport in the future.
Nanostructured silicon and silicon-aluminum compounds are synthesized by a novel synthesis strategy based on spark plasma sintering (SPS) of silicon nanopowder, mesoporous silicon (pSi), and aluminum nanopowder. The interplay of metal-assisted crystallization and inherent porosity is exploited to largely suppress thermal conductivity. Morphology and temperature-dependent thermal conductivity studies allow us to elucidate the impact of porosity and nanostructure on the macroscopic heat transport. Analytic electron microscopy along with quantitative image analysis is applied to characterize the sample morphology in terms of domain size and interpore distance distributions. We demonstrate that nanostructured domains and high porosity can be maintained in densified mesoporous silicon samples. In contrast, strong grain growth is observed for sintered nanopowders under similar sintering conditions. We observe that aluminum agglomerations induce local grain growth, while aluminum diffusion is observed in porous silicon and dispersed nanoparticles. A detailed analysis of the measured thermal conductivity between 300 and 773 K allows us to distinguish the effect of reduced thermal conductivity caused by porosity from the reduction induced by phonon scattering at nanosized domains. With a modified Landauer/Lundstrom approach the relative thermal conductivity and the scattering length are extracted. The relative thermal conductivity confirms the applicability of Kirkpatrick's effective medium theory. The extracted scattering lengths are in excellent agreement with the harmonic mean of log-normal distributed domain sizes and the interpore distances combined by Matthiessen's rule.
Even after decades of research, the origin of multiple stellar populations in globular clusters (GCs) remains enigmatic. The question as to whether the galaxy environment plays a role in their formation remains unanswered. To that extent, we analysed two classical (>10 Gyr old) Large Magellanic Cloud GCs, NGC 1786 and NGC 1898, using imaging data from Hubble Space Telescope to compare and contrast them with ancient Galactic GCs to assess systematic differences that might exist between their abundance variations. We calculated their red giant branch width, subtracted the effect of metallicity, and compared it with the available data on Galactic GCs by plotting them against initial and current cluster mass. We see that the two clusters follow the same general trend as that of the Galactic GCs, and Galactic GCs from different progenitors follow the same general trend as one another, indicating that the galaxy environment may only play a minor role in the formation of multiple stellar populations within GCs.
We revisited 10 known exoplanetary systems using publicly available data provided by the transiting exoplanet survey satellite (TESS). The sample presented in this work consists of short period transiting exoplanets, with inflated radii and large reported uncertainty on their planetary radii. The precise determination of these values is crucial in order to develop accurate evolutionary models and understand the inflation mechanisms of these systems. Aiming to evaluate the planetary radius measurement, we made use of the planet-to-star radii ratio, a quantity that can be measured during a transit event. We fit the obtained transit light curves of each target with a detrending model and a transit model. Furthermore, we used emcee, which is based on a Markov chain Monte Carlo approach, to assess the best fit posterior distributions of each system parameter of interest. We refined the planetary radius of WASP-140 b by approximately 12%, and we derived a better precision on its reported asymmetric radius uncertainty by approximately 86 and 67%. We also refined the orbital parameters of WASP-120 b by 2 sigma. Moreover, using the high-cadence TESS datasets, we were able to solve a discrepancy in the literature, regarding the planetary radius of the exoplanet WASP-93 b. For all the other exoplanets in our sample, even though there is a tentative trend that planetary radii of (near-) grazing systems have been slightly overestimated in the literature, the planetary radius estimation and the orbital parameters were confirmed with independent observations from space, showing that TESS and ground-based observations are overall in good agreement.
Properties of Arctic aerosol in the transition between Arctic haze to summer season derived by lidar
(2023)
During the Arctic haze period, the Arctic troposphere consists of larger, yet fewer, aerosol particles than during the summer (Tunved et al., 2013; Quinn et al., 2007). Interannual variability (Graßl and Ritter, 2019; Rinke et al., 2004), as well as unknown origins (Stock et al., 2014) and properties of aerosol complicate modeling these annual aerosol cycles. This thesis investigates the modification of the microphysical properties of Arctic aerosols in the transition from Arctic haze to the summer season. Therefore, lidar measurements of Ny-Ålesund from April 2021 to the end of July 2021 are evaluated based on the aerosols’ optical properties. An overview of those properties will be provided. Furthermore, parallel radiosonde data is considered for indication of hygroscopic growth.
The annual aerosol cycle in 2021 differs from expectations based on previous studies from Tunved et al. (2013) and Quinn et al. (2007). Developments of backscatter, extinction, aerosol depolarisation, lidar ratio and color ratio show a return of the Arctic haze in May. The haze had already reduced in April, but regrew afterwards.
The average Arctic aerosol displays hygroscopic behaviour, meaning growth due to water uptake. To determine such a behaviour is generally laborious because various meteorological circumstances need to be considered. Two case studies provide further information on these possible events. In particular, a day with a rare ice cloud and with highly variable water cloud layers is observed.
Supernova remnants are considered to be the primary sources of galactic cosmic rays. These cosmic rays are assumed to be accelerated by the diffusive shock acceleration mechanism, specifically at shocks in the remnants. Particularly in the core-collapse scenario, these supernova remnant shocks expand inside the wind-blown bubbles structured by massive progenitors during their lifetime. Therefore, the complex environment of wind bubbles can influence the particle acceleration and radiation from the remnants. Further, the evolution of massive stars depends on their Zero Age Main Sequence mass, rotation, and metallicity. Consequently, the structures of the wind bubbles generated during the lifetime of massive stars should be considerably different. Hence, the particle acceleration in the core-collapse supernova remnants should vary, not only from the remnants evolving in the uniform environment but also from one another, depending on their progenitor stars.
A core-collapse supernova remnant with a very massive 60 𝑀 ⊙ progenitor star has been considered to study the particle acceleration at the shock considering Bohm-like diffusion. This dissertation demonstrates the modification in particle acceleration and radiation while the remnant propagates through different regions of the wind bubble by impacts from the profiles of gas density, the temperature of the bubble and the magnetic field structure. Subsequently, in this thesis, I discuss the impacts of the non-identical ambient environment of core-collapse supernova remnants on particle spectra and the non-thermal emissions, considering 20 𝑀 ⊙ and 60 𝑀⊙ massive progenitors having different evolutionary tracks. Additionally, I also analyse the effect of cosmic ray streaming instabilities on particle spectra.
To model the particle acceleration in the remnants, I have performed simulations in one-dimensional spherical symmetry using RATPaC code. The transport equation for cosmic rays and magnetic turbulence in test-particle approximation, along with the induction equation for the evolution of the large-scale magnetic field, have been solved simultaneously with the hydrodynamic equations for the expansion of remnants inside the pre-supernova circumstellar medium.
The results from simulations describe that the spectra of accelerated particles in supernova remnants are regulated by density fluctuations, temperature variations, the large-scale magnetic field configuration and scattering turbulence. Although the diffusive shock acceleration mechanism at supernova remnant shock predicts the spectral index of 2 for the accelerated non-thermal particles, I have obtained the particle spectra that deviate from this prediction, in the core-collapse scenario. I have found that the particle spectral index reaches 2.5 for the supernova remnant with 60 𝑀 ⊙ progenitor when the remnant resides inside the shocked wind region of the wind bubble, and this softness persists at later evolutionary stages even with Bohm-like diffusion for accelerated particles. However, the supernova remnant with 20 𝑀 ⊙ progenitor does not demonstrate persistent softness in particle spectra from the influence of the hydrodynamics of the corresponding wind bubble. At later stages of evolution, the particle spectra illustrate softness at higher energies for both remnants as the consequence of the escape of high-energy particles from the remnants while considering the cosmic ray streaming instabilities. Finally, I have probed the emission morphology of remnants that varies depending on the progenitors, particularly in earlier evolutionary stages. This dissertation provides insight into different core-collapse remnants expanding inside wind bubbles, for instance, the calculated gamma-ray spectral index from the supernova remnant with 60 𝑀 ⊙ progenitor at later evolutionary stages is consistent with that of the observed supernova remnants expanding in dense molecular clouds.
Reflexion – unhinterfragt eines der wichtigsten Worte im Kontext der Lehrkräftebildung. Fest verankert in den bundesdeutschen Bildungsstandards sind in Forschung und Lehre die Suche nach Evidenz und die Unterstützung (angehender) Lehrkräfte ständiger Antrieb unzähliger Akteur:innen aller Phasen der Lehrkräftebildung. Wenngleich begriff liche Unklarheiten die Kommunikation von Forschungsergebnissen nicht immer intuitiv und die Unterstützung in der Lehre nicht immer praktikabel werden lassen, besteht Einigkeit darüber, dass ein Diskurs zur reflexiven Professionalisierung von Lehrkräften geführt werden muss. Aus diesem Grund veranstalteten die beiden QLB-Projekte PSI-Potsdam der Universität Potsdam und K2teach der Freien Universität Berlin vom 5. bis 7. Oktober 2022 die Onlinetagung „Reflexion in der Lehrkräftebildung. Empirisch – Phasenübergreifend – Interdisziplinär“. Ausgehend von den verschiedensten Fachdisziplinen diskutierten Akteur:innen aller Phasen der Lehrkräftebildung unterschiedlicher Standorte Ergebnisse empirischer Studien und Erfahrungen aus der Arbeit mit (angehenden) Lehrkräften. Beiträge der Tagung sind in diesem Buch festgehalten und sind als Momentaufnahme eines sich ständig entwickelnden Themenfelds zu verstehen. Forschende und Lehrende haben mit dieser Momentaufnahme die Möglichkeit, Eindrücke für die eigene Arbeit aufzunehmen und weiterzuentwickeln.