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The time instant-the first-passage time (FPT)-when a diffusive particle (e.g., a ligand such as oxygen or a signalling protein) for the first time reaches an immobile target located on the surface of a bounded three-dimensional domain (e.g., a hemoglobin molecule or the cellular nucleus) is a decisive characteristic time-scale in diverse biophysical and biochemical processes, as well as in intermediate stages of various inter- and intra-cellular signal transduction pathways. Adam and Delbruck put forth the reduction-of-dimensionality concept, according to which a ligand first binds non-specifically to any point of the surface on which the target is placed and then diffuses along this surface until it locates the target. In this work, we analyse the efficiency of such a scenario and confront it with the efficiency of a direct search process, in which the target is approached directly from the bulk and not aided by surface diffusion. We consider two situations: (i) a single ligand is launched from a fixed or a random position and searches for the target, and (ii) the case of 'amplified' signals when N ligands start either from the same point or from random positions, and the search terminates when the fastest of them arrives to the target. For such settings, we go beyond the conventional analyses, which compare only the mean values of the corresponding FPTs. Instead, we calculate the full probability density function of FPTs for both scenarios and study its integral characteristic-the 'survival' probability of a target up to time t. On this basis, we examine how the efficiencies of both scenarios are controlled by a variety of parameters and single out realistic conditions in which the reduction-of-dimensionality scenario outperforms the direct search.
How related are the ergodic properties of the over- and underdamped Langevin equations driven by fractional Gaussian noise? We here find that for massive particles performing fractional Brownian motion (FBM) inertial effects not only destroy the stylized fact of the equivalence of the ensemble-averaged mean-squared displacement (MSD) to the time-averaged MSD (TAMSD) of overdamped or massless FBM, but also dramatically alter the values of the ergodicity-breaking parameter (EB). Our theoretical results for the behavior of EB for underdamped or massive FBM for varying particle mass m, Hurst exponent H, and trace length T are in excellent agreement with the findings of stochastic computer simulations. The current results can be of interest for the experimental community employing various single-particle-tracking techniques and aiming at assessing the degree of nonergodicity for the recorded time series (studying, e.g., the behavior of EB versus lag time). To infer FBM as a realizable model of anomalous diffusion for a set single-particle-tracking data when massive particles are being tracked, the EBs from the data should be compared to EBs of massive (rather than massless) FBM.
We employ Langevin-dynamics simulations to unveil non-Brownian and non-Gaussian center-of-mass self-diffusion of massive flexible dumbbell-shaped particles in crowded two-dimensional solutions. We study the intradumbbell dynamics of the relative motion of the two constituent elastically coupled disks. Our main focus is on effects of the crowding fraction phi and of the particle structure on the diffusion characteristics. We evaluate the time-averaged mean-squared displacement (TAMSD), the displacement probability-density function (PDF), and the displacement autocorrelation function (ACF) of the dimers. For the TAMSD at highly crowded conditions of dumbbells, e.g., we observe a transition from the short-time ballistic behavior, via an intermediate subdiffusive regime, to long-time Brownian-like spreading dynamics. The crowded system of dimers exhibits two distinct diffusion regimes distinguished by the scaling exponent of the TAMSD, the dependence of the diffusivity on phi, and the features of the displacement-ACF. We attribute these regimes to a crowding-induced transition from viscous to viscoelastic diffusion upon growing phi. We also analyze the relative motion in the dimers, finding that larger phi suppress their vibrations and yield strongly non-Gaussian PDFs of rotational displacements. For the diffusion coefficients D(phi) of translational and rotational motion of the dumbbells an exponential decay with phi for weak and a power-law variation D(phi) proportional to (phi - phi(star))(2.4) for strong crowding is found. A comparison of simulation results with theoretical predictions for D(phi) is discussed and some relevant experimental systems are overviewed.
We consider the spatiotemporal states of an ensemble of nonlocally coupled nonidentical phase oscillators, which correspond to different regimes of the long-term evolution of such a system. We have obtained homogeneous, twisted, and nonhomogeneous stationary solutions to the Ott-Antonsen equations corresponding to key variants of the realized collective rotational motion of elements of the medium in question with nonzero mesoscopic characteristics determining the degree of coherence of the dynamics of neighboring particles. We have described the procedures of the search for the class of nonhomogeneous solutions as stationary points of the auxiliary point map and of determining the stability based on analysis of the eigenvalue spectrum of the composite operator. Static and breather cluster regimes have been demonstrated and described, as well as the regimes with an irregular behavior of averaged complex fields including, in particular, the local order parameter.
The field of movement ecology has seen a rapid increase in high-resolution data in recent years, leading to the development of numerous statistical and numerical methods to analyse relocation trajectories. Data are often collected at the level of the individual and for long periods that may encompass a range of behaviours.
Here, we use the power spectral density (PSD) to characterise the random movement patterns of a black-winged kite (Elanus caeruleus) and a white stork (Ciconia ciconia). The tracks are first segmented and clustered into different behaviours (movement modes), and for each mode we measure the PSD and the ageing properties of the process.
For the foraging kite we find 1/f noise, previously reported in ecological systems mainly in the context of population dynamics, but not for movement data. We further suggest plausible models for each of the behavioural modes by comparing both the measured PSD exponents and the distribution of the single-trajectory PSD to known theoretical results and simulations.
Lennard-Jones mixtures represent one of the popular systems for the study of glass-forming liquids.
Spatio/temporal heterogeneity and rare (activated) events are at the heart of the slow dynamics typical of these systems. Such slow dynamics is characterised by the development of a plateau in the mean-squared displacement (MSD) at intermediate times, accompanied by a non-Gaussianity in the displacement distribution identified by exponential tails.
As pointed out by some recent works, the non-Gaussianity persists at times beyond the MSD plateau, leading to a Brownian yet non-Gaussian regime and thus highlighting once again the relevance of rare events in such systems.
Single-particle motion of glass-forming liquids is usually interpreted as an alternation of rattling within the local cage and cage-escape motion and therefore can be described as a sequence of waiting times and jumps. In this work, by using a simple yet robust algorithm, we extract jumps and waiting times from single-particle trajectories obtained via molecular dynamics simulations.
We investigate the presence of correlations between waiting times and find negative correlations, which becomes more and more pronounced when lowering the temperature.
Organic solar cells (OSCs) have progressed rapidly in recent years through the development of novel organic photoactive materials, especially non-fullerene acceptors (NFAs). Consequently, OSCs based on state-of-the-art NFAs have reached significant milestones, such as similar to 19% power conversion efficiencies (PCEs) and small energy losses (less than 0.5 eV). Despite these significant advances, understanding of the interplay between molecular structure and optoelectronic properties lags significantly behind. For example, despite the theoretical framework for describing the energetic disorder being well developed for the case of inorganic semiconductors, the question of the applicability of classical semiconductor theories in analyzing organic semiconductors is still under debate. A general observation in the inorganic field is that inorganic photovoltaic materials possessing a polycrystalline microstructure exhibit suppressed disorder properties and better charge carrier transport compared to their amorphous analogs. Accordingly, this principle extends to the organic semiconductor field as many organic photovoltaic materials are synthesized to pursue polycrystalline-like features. Yet, there appears to be sporadic examples that exhibit an opposite trend. However, full studies decoupling energetic disorder from aggregation effects have largely been left out. Hence, the potential role of the energetic disorder in OSCs has received little attention. Interestingly, recently reported state-of-the-art NFA-based devices could achieve a small energetic disorder and high PCE at the same time; and interest in this investigation related to the disorder properties in OSCs was revived. In this contribution, progress in terms of the correlation between molecular design and energetic disorder is reviewed together with their effects on the optoelectronic mechanism and photovoltaic performance. Finally, the specific challenges and possible solutions in reducing the energetic disorder of OSCs from the viewpoint of materials and devices are proposed.
In organic solar cells, the resulting device efficiency depends strongly on the local morphology and intermolecular interactions of the blend film. Optical spectroscopy was used to identify the spectral signatures of interacting chromophores in blend films of the donor polymer PM6 with two state-of-the-art nonfullerene acceptors, Y6 and N4, which differ merely in the branching point of the side chain. From temperature-dependent absorption and luminescence spectroscopy in solution, it is inferred that both acceptor materials form two types of aggregates that differ in their interaction energy. Y6 forms an aggregate with a predominant J-type character in solution, while for N4 molecules the interaction is predominantly in a H-like manner in solution and freshly spin-cast film, yet the molecules reorient with respect to each other with time or thermal annealing to adopt a more J-type interaction. The different aggregation behavior of the acceptor materials is also reflected in the blend films and accounts for the different solar cell efficiencies reported with the two blends.
The mobile-immobile model (MIM) has been established in geoscience in the context of contaminant transport in groundwater. Here the tracer particles effectively immobilise, e.g., due to diffusion into dead-end pores or sorption. The main idea of the MIM is to split the total particle density into a mobile and an immobile density. Individual tracers switch between the mobile and immobile state following a two-state telegraph process, i.e., the residence times in each state are distributed exponentially. In geoscience the focus lies on the breakthrough curve (BTC), which is the concentration at a fixed location over time. We apply the MIM to biological experiments with a special focus on anomalous scaling regimes of the mean squared displacement (MSD) and non-Gaussian displacement distributions. As an exemplary system, we have analysed the motion of tau proteins, that diffuse freely inside axons of neurons. Their free diffusion thereby corresponds to the mobile state of the MIM. Tau proteins stochastically bind to microtubules, which effectively immobilises the tau proteins until they unbind and continue diffusing. Long immobilisation durations compared to the mobile durations give rise to distinct non-Gaussian Laplace shaped distributions. It is accompanied by a plateau in the MSD for initially mobile tracer particles at relevant intermediate timescales. An equilibrium fraction of initially mobile tracers gives rise to non-Gaussian displacements at intermediate timescales, while the MSD remains linear at all times. In another setting bio molecules diffuse in a biosensor and transiently bind to specific receptors, where advection becomes relevant in the mobile state. The plateau in the MSD observed for the advection-free setting and long immobilisation durations persists also for the case with advection. We find a new clear regime of anomalous diffusion with non-Gaussian distributions and a cubic scaling of the MSD. This regime emerges for initially mobile and for initially immobile tracers. For an equilibrium fraction of initially mobile tracers we observe an intermittent ballistic scaling of the MSD. The long-time effective diffusion coefficient is enhanced by advection, which we physically explain with the variance of mobile durations. Finally, we generalize the MIM to incorporate arbitrary immobilisation time distributions and focus on a Mittag-Leffler immobilisation time distribution with power-law tail ~ t^(-1-mu) with 0<mu<1 and diverging mean immobilisation durations. A fit of our model to the BTC of experimental data from tracer particles in aquifers matches the BTC including the power-law tail. We use the fit parameters for plotting the displacement distributions and the MSD. We find Gaussian normal diffusion at short times and long-time power-law decay of mobile mass accompanied by anomalous diffusion at long times. The long-time diffusion is subdiffusive in the advection-free setting, while it is either subdiffusive for 0<mu<1/2 or superdiffusive for 1/2<mu<1 when advection is present. In the long-time limit we show equivalence of our model to a bi-fractional diffusion equation.
We investigate a class of diffusion-controlled reactions that are initiated at the time instance when a prescribed number K among N particles independently diffusing in a solvent are simultaneously bound to a target region.
In the irreversible target-binding setting, the particles that bind to the target stay there forever, and the reaction time is the Kth fastest first-passage time to the target, whose distribution is well-known. In turn, reversible binding, which is common for most applications, renders theoretical analysis much more challenging and drastically changes the distribution of reaction times.
We develop a renewal-based approach to derive an approximate solution for the probability density of the reaction time.
This approximation turns out to be remarkably accurate for a broad range of parameters.
We also analyze the dependence of the mean reaction time or, equivalently, the inverse reaction rate, on the main parameters such as K, N, and binding/unbinding constants. Some biophysical applications and further perspectives are briefly discussed.
We consider an array of nonlocally coupled oscillators on a ring, which for equally spaced units possesses a Kuramoto-Battogtokh chimera regime and a synchronous state. We demonstrate that disorder in oscillators positions leads to a transition from the synchronous to the chimera state. For a static (quenched) disorder we find that the probability of synchrony survival depends on the number of particles, from nearly zero at small populations to one in the thermodynamic limit. Furthermore, we demonstrate how the synchrony gets destroyed for randomly (ballistically or diffusively) moving oscillators. We show that, depending on the number of oscillators, there are different scalings of the transition time with this number and the velocity of the units.
Binary III-V nitrides such as AlN, GaN and InN in the wurtzite-type structure have long been considered as potent semiconducting materials because of their optoelectronic properties, amongst others. With rising concerns over the utilization of scarce elements, a replacement of the trivalent cations by others in ternary and multinary nitrides has led to the development of different variants of nitrides and oxide nitrides crystallizing in lower-symmetry variants of wurtzite. This work presents the symmetry relationships between these structural types specific to nitrides and oxide nitrides and updates some prior work on this matter. The non-existence of compounds crystallizing in Pmc2(1), formally the highest subgroup of the wurtzite type fulfilling Pauling's rules for 1:1:2 stoichiometries, has been puzzling scientists for a while; a rationalization is given, from a crystallographic basis, of why this space group is unlikely to be adopted.
We report generation of ultra-broadband longitudinal acoustic coherent phonon wavepackets in SrTiO3 (STO) with frequency components extending throughout the first Brillouin zone. The wavepackets are efficiently generated in STO using femtosecond infrared laser excitation of an atomically flat 1.6 nm-thick epitaxial SrRuO3 film. We use femtosecond x-ray diffraction at the European X-Ray Free Electron Laser Facility to study the dispersion and damping of phonon wavepackets. The experimentally determined damping constants for multi-THz frequency phonons compare favorably to the extrapolation of a simple ultrasound damping model over several orders of magnitude.
We address the effect of stochastic resetting on diffusion and subdiffusion process. For diffusion we find that mean square displacement relaxes to a constant only when the distribution of reset times possess finite mean and variance. In this case, the leading order contribution to the probability density function (PDF) of a Gaussian propagator under resetting exhibits a cusp independent of the specific details of the reset time distribution. For subdiffusion we derive the PDF in Laplace space for arbitrary resetting protocol. Resetting at constant rate allows evaluation of the PDF in terms of H function. We analyze the steady state and derive the rate function governing the relaxation behavior. For a subdiffusive process the steady state could exist even if the distribution of reset times possesses only finite mean.
We study the first-arrival (first-hitting) dynamics and efficiency of a one-dimensional random search model performing asymmetric Levy flights by leveraging the Fokker-Planck equation with a delta-sink and an asymmetric space-fractional derivative operator with stable index alpha and asymmetry (skewness) parameter beta.
We find exact analytical results for the probability density of first-arrival times and the search efficiency, and we analyse their behaviour within the limits of short and long times.
We find that when the starting point of the searcher is to the right of the target, random search by Brownian motion is more efficient than Levy flights with beta <= 0 (with a rightward bias) for short initial distances, while for beta>0 (with a leftward bias) Levy flights with alpha -> 1 are more efficient.
When increasing the initial distance of the searcher to the target, Levy flight search (except for alpha=1 with beta=0) is more efficient than the Brownian search. Moreover, the asymmetry in jumps leads to essentially higher efficiency of the Levy search compared to symmetric Levy flights at both short and long distances, and the effect is more pronounced for stable indices alpha close to unity.
HCNO is a molecule of considerable astrochemical interest as a precursor to prebiotic molecules. It is synthesized by preparative pyrolysis and is unstable at room temperature. Here, we investigate its spectroscopy in the soft X-ray regime at the C 1s, N 1s and O 1s edges. All 1s ionization energies are reported and X-ray absorption spectra reveal the transitions from the 1s to the pi* state. Resonant and normal Auger electron spectra for the decay of the core hole states are recorded in a hemispherical analyzer. An assignment of the experimental spectra is provided with the aid of theoretical counterparts. The latter are using a valence configuration interaction representation of the intermediate and final state energies and wavefunctions, the one-center approximation for transition rates and band shapes according to the moment theory. The computed spectra are in very good agreement with the experimental data and most of the relevant bands are assigned. Additionally, we present a simple approach to estimate relative Auger transition rates on the basis of a minimal basis representation of the molecular orbitals. We demonstrate that this provides a qualitatively good and reliable estimate for several signals in the normal and resonant Auger electron spectra which have significantly different intensities in the decay of the three core holes.
The interplay between free charge carriers, charge transfer (CT) states and singlet excitons (S-1) determines the recombination pathway and the resulting open circuit voltage (V-OC) of organic solar cells.
By combining a well-aggregated low bandgap polymer with different blend ratios of the fullerenes PCBM and ICBA, the energy of the CT state (E-CT) is varied by 130 meV while leaving the S-1 energy of the polymer (ES1\[{E_{{{\rm{S}}_1}}}\]) unaffected.
It is found that the polymer exciton dominates the radiative properties of the blend when ECT\[{E_{{\rm{CT}}}}\] approaches ES1\[{E_{{{\rm{S}}_1}}}\], while the V-OC remains limited by the non-radiative decay of the CT state.
It is concluded that an increasing strength of the exciton in the optical spectra of organic solar cells will generally decrease the non-radiative voltage loss because it lowers the radiative V-OC limit (V-OC,V-rad), but not because it is more emissive.
The analysis further suggests that electronic coupling between the CT state and the S-1 will not improve the V-OC, but rather reduce the V-OC,V-rad.
It is anticipated that only at very low CT state absorption combined with a fairly high CT radiative efficiency the solar cell benefit from the radiative properties of the singlet excitons.
The subsequent observing runs of the advanced gravitational-wave detector network will likely provide us with various gravitational-wave observations of binary neutron star systems. For an accurate interpretation of these detections, we need reliable gravitational-wave models. To test and to point out how existing models could be improved, we perform a set of high-resolution numerical relativity simulations for four different physical setups with mass ratios q = 1.25, 1.50, 1.75, 2.00, and total gravitational mass M = 2.7 M???. Each configuration is simulated with five different resolutions to allow a proper error assessment. Overall, we find approximately second-order converging results for the dominant (2,2) mode, but also the subdominant (2,1), (3,3), and (4,4) modes, while generally, the convergence order reduces slightly for an increasing mass ratio. Our simulations allow us to validate waveform models, where we find generally good agreement between state-of-the-art models and our data, and to prove that scaling relations for higher modes currently employed for binary black hole waveform modeling also apply for the tidal contribution. Finally, we also test if the current NRTidal model used to describe tidal effects is a valid description for high-mass-ratio systems. We hope that our simulation results can be used to further improve and test waveform models in preparation for the next observing runs.
Development of functional and stable solid polymer electrolytes (SPEs) for battery applications is an important step towards both safer batteries and for the realization of lithium-based or anode-less batteries. The interface between the lithium and the solid polymer electrolyte is one of the bottlenecks, where severe degradation is expected. Here, the stability of three different SPEs - poly(ethylene oxide) (PEO), poly(epsilon-caprolactone) (PCL) and poly(trimethylene carbonate) (PTMC) - together with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt, is investigated after they have been exposed to lithium metal under UHV conditions. Degradation compounds, e.g. Li-O-R, LiF and LixSyOz, are identified for all SPEs using soft X-ray photoelectron spectroscopy. A competing degradation between polymer and salt is identified in the outermost surface region (<7 nm), and is dependent on the polymer host. PTMC:LiTFSI shows the most severe decomposition of both polymer and salt followed by PCL:LiTFSI and PEO:LiTFSI. In addition, the movement of lithium species through the decomposed interface shows large variation depending on the polymer electrolyte system.
Quenching mechanism of uranyl(VI) by chloride and bromide in aqueous and non-aqueous solutions
(2021)
A major hindrance in utilizing uranyl(VI) luminescence as a standard analytical tool, for example, in environmental monitoring or nuclear industries, is quenching by other ions such as halide ions, which are present in many relevant matrices of uranyl(VI) speciation. Here, we demonstrate through a combination of time-resolved laser-induced fluorescence spectroscopy, transient absorption spectroscopy, and quantum chemistry that coordinating solvent molecules play a crucial role in U(VI) halide luminescence quenching. We show that our previously suggested quenching mechanism based on an internal redox reaction of the 1:2-uranyl-halide-complex holds also true for bromide-induced quenching of uranyl(VI). By adopting specific organic solvents, we were able to suppress the separation of the oxidized halide ligand X-2(center dot-) and the formed uranyl(V) into fully solvated ions, thereby "reigniting" U(VI) luminescence. Time-dependent density functional theory calculations show that quenching occurs through the outer-sphere complex of U(VI) and halide in water, while the ligand-to-metal charge transfer is strongly reduced in acetonitrile.
How different are the results of constant-rate resetting of anomalous-diffusion processes in terms of their ensemble-averaged versus time-averaged mean-squared displacements (MSDs versus TAMSDs) and how does stochastic resetting impact nonergodicity? We examine, both analytically and by simulations, the implications of resetting on the MSD- and TAMSD-based spreading dynamics of particles executing fractional Brownian motion (FBM) with a long-time memory, heterogeneous diffusion processes (HDPs) with a power-law space-dependent diffusivity D(x) = D0|x|gamma and their "combined" process of HDP-FBM. We find, inter alia, that the resetting dynamics of originally ergodic FBM for superdiffusive Hurst exponents develops disparities in scaling and magnitudes of the MSDs and mean TAMSDs indicating weak ergodicity breaking. For subdiffusive HDPs we also quantify the nonequivalence of the MSD and TAMSD and observe a new trimodal form of the probability density function. For reset FBM, HDPs and HDP-FBM we compute analytically and verify by simulations the short-time MSD and TAMSD asymptotes and long-time plateaus reminiscent of those for processes under confinement. We show that certain characteristics of these reset processes are functionally similar despite a different stochastic nature of their nonreset variants. Importantly, we discover nonmonotonicity of the ergodicitybreaking parameter EB as a function of the resetting rate r. For all reset processes studied we unveil a pronounced resetting-induced nonergodicity with a maximum of EB at intermediate r and EB similar to(1/r )-decay at large r. Alongside the emerging MSD-versus-TAMSD disparity, this r-dependence of EB can be an experimentally testable prediction. We conclude by discussing some implications to experimental systems featuring resetting dynamics.
We consider an array of nearest-neighbor coupled nonlinear autonomous oscillators with quenched ran-dom frequencies and purely conservative coupling. We show that global phase-locked states emerge in finite lattices and study numerically their destruction. Upon change of model parameters, such states are found to become unstable with the generation of localized periodic and chaotic oscillations. For weak nonlinear frequency dispersion, metastability occur akin to the case of almost-conservative systems. We also compare the results with the phase-approximation in which the amplitude dynamics is adiabatically eliminated.
Halide perovskites
(2021)
Both ground- and satellite-based airglow imaging have significantly contributed to understanding the low-latitude ionosphere, especially the morphology and dynamics of the equatorial ionization anomaly (EIA). The NASA Global-scale Observations of the Limb and Disk (GOLD) mission focuses on far-ultraviolet airglow images from a geostationary orbit at 47.5 degrees W. This region is of particular interest at low magnetic latitudes because of the high magnetic declination (i.e., about -20 degrees) and proximity of the South Atlantic magnetic anomaly. In this study, we characterize an exciting feature of the nighttime EIA using GOLD observations from October 5, 2018 to June 30, 2020. It consists of a wavelike structure of a few thousand kilometers seen as poleward and equatorward displacements of the EIA-crests. Initial analyses show that the synoptic-scale structure is symmetric about the dip equator and appears nearly stationary with time over the night. In quasi-dipole coordinates, maxima poleward displacements of the EIA-crests are seen at about +/- 12 degrees latitude and around 20 and 60 degrees longitude (i.e., in geographic longitude at the dip equator, about 53 degrees W and 14 degrees W). The wavelike structure presents typical zonal wavelengths of about 6.7 x 10(3) km and 3.3 x 10(3) km. The structure's occurrence and wavelength are highly variable on a day-to-day basis with no apparent dependence on geomagnetic activity. In addition, a cluster or quasi-periodic wave train of equatorial plasma depletions (EPDs) is often detected within the synoptic-scale structure. We further outline the difference in observing these EPDs from FUV images and in situ measurements during a GOLD and Swarm mission conjunction.
The Arctic is the hot spot of the ongoing, global climate change. Over the last decades, near-surface temperatures in the Arctic have been rising almost four times faster than on global average. This amplified warming of the Arctic and the associated rapid changes of its environment are largely influenced by interactions between individual components of the Arctic climate system. On daily to weekly time scales, storms can have major impacts on the Arctic sea-ice cover and are thus an important part of these interactions within the Arctic climate. The sea-ice impacts of storms are related to high wind speeds, which enhance the drift and deformation of sea ice, as well as to changes in the surface energy budget in association with air mass advection, which impact the seasonal sea-ice growth and melt.
The occurrence of storms in the Arctic is typically associated with the passage of transient cyclones. Even though the above described mechanisms how storms/cyclones impact the Arctic sea ice are in principal known, there is a lack of statistical quantification of these effects. In accordance with that, the overarching objective of this thesis is to statistically quantify cyclone impacts on sea-ice concentration (SIC) in the Atlantic Arctic Ocean over the last four decades. In order to further advance the understanding of the related mechanisms, an additional objective is to separate dynamic and thermodynamic cyclone impacts on sea ice and assess their relative importance. Finally, this thesis aims to quantify recent changes in cyclone impacts on SIC. These research objectives are tackled utilizing various data sets, including atmospheric and oceanic reanalysis data as well as a coupled model simulation and a cyclone tracking algorithm.
Results from this thesis demonstrate that cyclones are significantly impacting SIC in the Atlantic Arctic Ocean from autumn to spring, while there are mostly no significant impacts in summer. The strength and the sign (SIC decreasing or SIC increasing) of the cyclone impacts strongly depends on the considered daily time scale and the region of the Atlantic Arctic Ocean. Specifically, an initial decrease in SIC (day -3 to day 0 relative to the cyclone) is found in the Greenland, Barents and Kara Seas, while SIC increases following cyclones (day 0 to day 5 relative to the cyclone) are mostly limited to the Barents and Kara Seas.
For the cold season, this results in a pronounced regional difference between overall (day -3 to day 5 relative to the cyclone) SIC-decreasing cyclone impacts in the Greenland Sea and overall SIC-increasing cyclone impacts in the Barents and Kara Seas. A cyclone case study based on a coupled model simulation indicates that both dynamic and thermodynamic mechanisms contribute to cyclone impacts on sea ice in winter. A typical pattern consisting of an initial dominance of dynamic sea-ice changes followed by enhanced thermodynamic ice growth after the cyclone passage was found. This enhanced ice growth after the cyclone passage most likely also explains the (statistical) overall SIC-increasing effects of cyclones in the Barents and Kara Seas in the cold season.
Significant changes in cyclone impacts on SIC over the last four decades have emerged throughout the year. These recent changes are strongly varying from region to region and month to month. The strongest trends in cyclone impacts on SIC are found in autumn in the Barents and Kara Seas. Here, the magnitude of destructive cyclone impacts on SIC has approximately doubled over the last four decades. The SIC-increasing effects following the cyclone passage have particularly weakened in the Barents Sea in autumn. As a consequence, previously existing overall SIC-increasing cyclone impacts in this region in autumn have recently disappeared. Generally, results from this thesis show that changes in the state of the sea-ice cover (decrease in mean sea-ice concentration and thickness) and near-surface air temperature are most important for changed cyclone impacts on SIC, while changes in cyclone properties (i.e. intensity) do not play a significant role.
Traditional inorganic semiconductors can be electronically doped with high precision. Conversely, there is still conjecture regarding the assessment of the electronic doping density in metal-halide perovskites, not to mention of a control thereof. This paper presents a multifaceted approach to determine the electronic doping density for a range of different lead-halide perovskite systems. Optical and electrical characterization techniques, comprising intensity-dependent and transient photoluminescence, AC Hall effect, transfer-length-methods, and charge extraction measurements were instrumental in quantifying an upper limit for the doping density. The obtained values are subsequently compared to the electrode charge per cell volume under short-circuit conditions ( CUbi/eV), which amounts to roughly 10(16) cm(-3). This figure of merit represents the critical limit below which doping-induced charges do not influence the device performance. The experimental results consistently demonstrate that the doping density is below this critical threshold 10(12) cm(-3), which means << CUbi / e V) for all common lead-based metal-halide perovskites. Nevertheless, although the density of doping-induced charges is too low to redistribute the built-in voltage in the perovskite active layer, mobile ions are present in sufficient quantities to create space-charge-regions in the active layer, reminiscent of doped pn-junctions. These results are well supported by drift-diffusion simulations, which confirm that the device performance is not affected by such low doping densities.
With an increasing number of expected gravitational-wave detections of binary neutron star mergers, it is essential that gravitational-wave models employed for the analysis of observational data are able to describe generic compact binary systems. This includes systems in which the individual neutron stars are millisecond pulsars for which spin effects become essential. In this work, we perform numerical-relativity simulations of binary neutron stars with aligned and antialigned spins within a range of dimensionless spins of chi similar to [-0.28, 0.58]. The simulations are performed with multiple resolutions, show a clear convergence order and, consequently, can be used to test existing waveform approximants. We find that for very high spins gravitational-wave models that have been employed for the interpretation of GW170817 and GW190425 arc not capable of describing our numerical-relativity dataset. We verify through a full parameter estimation study in which clear biases in the estimate of the tidal deformability and effective spin are present. We hope that in preparation of the next gravitational-wave observing run of the Advanced LIGO and Advanced Virgo detectors our new set of numerical-relativity data can be used to support future developments of new gravitational-wave models.
Background
Due to physical coupling between mechanical stress and magnetization in ferromagnetic materials, it is assumed in the literature that the distribution of the magnetic stray field corresponds to the internal (residual) stress of the specimen.
The correlation is, however, not trivial, since the magnetic stray field is also influenced by the microstructure and the geometry of component.
The understanding of the correlation between residual stress and magnetic stray field could help to evaluate the integrity of welded components.
Objective
This study aims at understanding the possible correlation of subsurface and bulk residual stress with magnetic stray field in a low carbon steel weld.
Methods
The residual stress was determined by synchrotron X-ray diffraction (SXRD, subsurface region) and by neutron diffraction (ND, bulk region).
SXRD possesses a higher spatial resolution than ND. Magnetic stray fields were mapped by utilizing high-spatial-resolution giant magneto resistance (GMR) sensors.
Results
The subsurface residual stress overall correlates better with the magnetic stray field distribution than the bulk stress. This correlation is especially visible in the regions outside the heat affected zone, where the influence of the microstructural features is less pronounced but steep residual stress gradients are present.
Conclusions
It was demonstrated that the localized stray field sources without any obvious microstructural variations are associated with steep stress gradients.
The good correlation between subsurface residual stress and magnetic signal indicates that the source of the magnetic stray fields is to be found in the range of the penetration depth of the SXRD measurements.
Accurate and precise characterization of cirrus cloud geometrical and optical properties is essential for better constraining their radiative footprint. A lidar-based retrieval scheme is proposed here, with its performance assessed on fine spatio-temporal observations over the Arctic site of Ny-Alesund, Svalbard. Two contributions related to cirrus geometrical (dynamic Wavelet Covariance Transform (WCT)) and optical properties (constrained Klett) are reported. The dynamic WCT rendered cirrus detection more robust, especially for thin cirrus layers that frequently remained undetected by the classical WCT method. Regarding optical characterization, we developed an iterative scheme for determining the cirrus lidar ratio (LRci) that is a crucial parameter for aerosol - cloud discrimination. Building upon the Klett-Fernald method, the LRci was constrained by an additional reference value. In established methods, such as the double-ended Klett, an aerosol-free reference value is applied. In the proposed constrained Klett, however, the reference value was approximated from cloud-free or low cloud optical depth (COD up to 0.2) profiles and proved to agree with independent Raman estimates. For optically thin cirrus, the constrained Klett inherent uncertainties reached 50% (60-74%) in terms of COD (LRci). However, for opaque cirrus COD (LRci) uncertainties were lower than 10% (15%). The detection method discrepancies (dynamic versus static WCT) had a higher impact on the optical properties of low COD layers (up to 90%) compared to optically thicker ones (less than 10%). The constrained Klett presented high agreement with two established retrievals. For an exemplary cirrus cloud, the constrained Klett estimated the COD355 (LRci355) at 0.28 +/- 0.17 (29 +/- 4 sr), the double-ended Klett at 0.27 +/- 0.15 (32 +/- 4 sr) and the Raman retrievals at 0.22 +/- 0.12 (26 +/- 11 sr). Our approach to determine the necessary reference value can also be applied in established methods and increase their accuracy. In contrast, the classical aerosol-free assumption led to 44 sr LRci overestimation in optically thin layers and 2-8 sr in thicker ones. The multiple scattering effect was corrected using Eloranta (1998) and accounted for 50-60% extinction underestimation near the cloud base and 20-30% within the cirrus layers.
Climate Benefits of Cleaner Energy Transitions in East and South Asia Through Black Carbon Reduction
(2022)
The state of air pollution has historically been tightly linked to how we produce and use energy. Air pollutant emissions over Asia are now changing rapidly due to cleaner energy transitions; however, magnitudes of benefits for climate and air quality remain poorly quantified. The associated risks involve adverse health impacts, reduced agricultural yields, reduced freshwater availability, contributions to climate change, and economic costs. We focus particularly on climate benefits of energy transitions by making first-time use of two decades of high quality observations of atmospheric loading of light-absorbing black carbon (BC) over Kanpur (South Asia) and Beijing (East Asia) and relating these observations to changing energy, emissions, and economic trends in India and China. Our analysis reveals that absorption aerosol optical depth (AAOD) due to BC has decreased substantially, by 40% over Kanpur and 60% over Beijing between 2001 and 2017, and thus became decoupled from regional economic growth. Furthermore, the resultant decrease in BC emissions and BC AAOD over Asia is regionally coherent and occurs primarily due to transitions into cleaner energies (both renewables and fossil fuels) and not due to the decrease in primary energy supply or decrease in use of fossil use and biofuels and waste. Model simulations show that BC aerosols alone contribute about half of the surface temperature change (warming) of the total forcing due to greenhouse gases, natural and internal variability, and aerosols, thus clearly revealing the climate benefits due to a reduction in BC emissions, which would significantly reduce global warming. However, this modeling study excludes responses from natural variability, circulation, and sea ice responses, which cause relatively strong temperature fluctuations that may mask signals from BC aerosols. Our findings show additional benefits for climate (beyond benefits of CO2 reduction) and for several other issues of sustainability over South and East Asia, provide motivation for ongoing cleaner energy production, and consumption transitions, especially when they are associated with reduced emissions of air pollutants. Such an analysis connecting the trends in energy transitions and aerosol absorption loading, unavailable so far, is crucial for simulating the aerosol climate impacts over Asia which is quite uncertain.
Most image restoration methods in astronomy rely upon probabilistic tools that infer the best solution for a deconvolution problem. They achieve good performances when the point spread function (PSF) is spatially invariant in the image plane.
However, this condition is not always satisfied in real optical systems. We propose a new method for the restoration of images affected by static and anisotropic aberrations using Deep Neural Networks that can be directly applied to sky images.
The network is trained using simulated sky images corresponding to the T80-S Telescope optical model, a 80-cm survey imager at Cerro Tololo (Chile), which are synthesized using a Zernike polynomial representation of the optical system.
Once trained, the network can be used directly on sky images, outputting a corrected version of the image that has a constant and known PSF across its field of view. The method is to be tested on the T80-S Telescope.
We present the method and results on synthetic data.
The combined effect of ultraviolet (UV) light soaking and self-assembled monolayer deposition on the work function (WF) of thin ZnO layers and on the efficiency of hole injection into the prototypical conjugated polymer poly(3-hexylthiophen-2,5-diyl) (P3HT) is systematically investigated. It is shown that the WF and injection efficiency depend strongly on the history of UV light exposure. Proper treatment of the ZnO layer enables ohmic hole injection into P3HT, demonstrating ZnO as a potential anode material for organic optoelectronic devices. The results also suggest that valid conclusions on the energy-level alignment at the ZnO/organic interfaces may only be drawn if the illumination history is precisely known and controlled. This is inherently problematic when comparing electronic data from ultraviolet photoelectron spectroscopy (UPS) measurements carried out under different or ill-defined illumination conditions.
We present a framework for systems in which diffusion-advection transport of a tracer substance in a mobile zone is interrupted by trapping in an immobile zone.
Our model unifies different model approaches based on distributed-order diffusion equations, exciton diffusion rate models, and random-walk models for multirate mobile-immobile mass transport.
We study various forms for the trapping time dynamics and their effects on the tracer mass in the mobile zone.
Moreover, we find the associated breakthrough curves, the tracer density at a fixed point in space as a function of time, and the mobile and immobile concentration profiles and the respective moments of the transport.
Specifically, we derive explicit forms for the anomalous transport dynamics and an asymptotic power-law decay of the mobile mass for a Mittag-Leffler trapping time distribution.
In our analysis we point out that even for exponential trapping time densities, transient anomalous transport is observed.
Our results have direct applications in geophysical contexts, but also in biological, soft matter, and solid state systems.
We study a heterogeneous diffusion process (HDP) with position-dependent diffusion coefficient and Poissonian stochastic resetting.
We find exact results for the mean squared displacement and the probability density function. The nonequilibrium steady state reached in the long time limit is studied.
We also analyse the transition to the non-equilibrium steady state by finding the large deviation function.
We found that similarly to the case of the normal diffusion process where the diffusion length grows like t (1/2) while the length scale xi(t) of the inner core region of the nonequilibrium steady state grows linearly with time t, in the HDP with diffusion length increasing like t ( p/2) the length scale xi(t) grows like t ( p ).
The obtained results are verified by numerical solutions of the corresponding Langevin equation.
Here we show that microgels trapped at a solid wall can issue liquid flow and transport over distances several times larger than the particle size.
The microgel consists of cross-linked poly(N-isopropylacrylamide-co-acrylic acid) (PNIPAM-AA) polymer chains loaded with cationic azobenzene-containing surfactant, which can assume either a trans-or a cis-state depending on the wavelength of the applied irradiation. The microgel, being a selective absorber of trans-isomers, responds by changing its volume under irradiation with light of appropriate wavelength at which the cis-isomers of the surfactant molecules diffuse out of the particle interior.
Together with the change in particle size, the expelled cis-isomers form an excess of the concentration and subsequent gradient in osmotic pressure generating a halo of local light-driven diffusioosmotic (l-LDDO) flow. The direction and the strength of the l-LDDO depends on the intensity and irradiation wavelength, as well as on the amount of surfactant absorbed by the microgel.
The flow pattern around a microgel is directed radially outward and can be maintained quasi-indefinitely under exposure to blue light when the trans-/cis-ratio is 2/1, establishing a photostationary state.
Irradiation with UV light, on the other hand, generates a radially transient flow pattern, which inverts from inward to outward over time at low intensities.
By measuring the displacement of tracer particles around neutral microgels during a temperature-induced collapse, we can exclude that a change in particle shape itself causes the flow, i.e., just by expulsion or uptake of water.
Ultimately, it is its ability to selectively absorb two isomers of photosensitive surfactant under different irradiation conditions that leads to an effective pumping caused by a self-induced diffusioosmotic flow.
Symmetry and its breaking crucially define the chemical properties of molecules and their functionality. Resonant inelastic X-ray scattering is a local electronic structure probe reporting on molecular symmetry and its dynamical breaking within the femtosecond scattering duration. Here, we study pyrimidine, a system from the C-2v point group, in an aqueous solution environment, using scattering though its 2a(2) resonance. Despite the absence of clean parity selection rules for decay transitions from in-plane orbitals, scattering channels including decay from the 7b(2) and 11a(1) orbitals with nitrogen lone pair character are a direct probe for molecular symmetry. Computed spectra of explicitly solvated molecules sampled from a molecular dynamics simulation are combined with the results of a quantum dynamical description of the X-ray scattering process. We observe dominant signatures of core-excited Jahn-Teller induced symmetry breaking for resonant excitation. Solvent contributions are separable by shortening of the effective scattering duration through excitation energy detuning.
Based on suggested interactions of potential tipping elements in the Earth's climate and in ecological systems, tipping cascades as possible dynamics are increasingly discussed and studied. The activation of such tipping cascades would impose a considerable risk for human societies and biosphere integrity. However, there are ambiguities in the description of tipping cascades within the literature so far. Here we illustrate how different patterns of multiple tipping dynamics emerge from a very simple coupling of two previously studied idealized tipping elements. In particular, we distinguish between a two phase cascade, a domino cascade and a joint cascade. A mitigation of an unfolding two phase cascade may be possible and common early warning indicators are sensitive to upcoming critical transitions to a certain degree. In contrast, a domino cascade may hardly be stopped once initiated and critical slowing down-based indicators fail to indicate tipping of the following element. These different potentials for intervention and anticipation across the distinct patterns of multiple tipping dynamics should be seen as a call to be more precise in future analyses of cascading dynamics arising from tipping element interactions in the Earth system.
This paper studies cosmic-ray (CR) transport in magnetohydrodynamic (MHD) turbulence. CR transport is strongly dependent on the properties of the magnetic turbulence.
We perform test particle simulations to study the interactions of CR with both total MHD turbulence and decomposed MHD modes.
The spatial diffusion coefficients and the pitch angle scattering diffusion coefficients are calculated from the test particle trajectories in turbulence.
Our results confirm that the fast modes dominate the CR propagation, whereas Alfven and slow modes are much less efficient and have shown similar pitch-angle scattering rates.
We investigate the cross field transport on large and small scales. On large/global scales, normal diffusion is observed and the diffusion coefficient is suppressed by M-A(zeta) compared to the parallel diffusion coefficients, with zeta closer to 4 in Alfven modes than that in total turbulence, as theoretically expected.
For the CR transport on scales smaller than the turbulence injection scale, both the local and global magnetic reference frames are adopted. Superdiffusion is observed on such small scales in all the cases. Particularly, CR transport in Alfven modes show clear Richardson diffusion in the local reference frame. The diffusion transitions smoothly from the Richardson's one with index 1.5 to normal diffusion as the particle mean free path decreases from lambda(parallel to) >> L to lambda(parallel to) << L, where L is the injection/coherence length of turbulence.
Our results have broad applications to CRs in various astrophysical environments.
Active matter broadly covers the dynamics of self-propelled particles.
While the onset of collective behavior in homogenous active systems is relatively well understood, the effect of inhomogeneities such as obstacles and traps lacks overall clarity.
Here, we study how interacting, self-propelled particles become trapped and released from a trap.
We have found that captured particles aggregate into an orbiting condensate with a crystalline structure. As more particles are added, the trapped condensates escape as a whole.
Our results shed light on the effects of confinement and quenched disorder in active matter.
In contrast to the common conception that the interfacial energy-level alignment is affixed once the interface is formed, we demonstrate that heterojunctions between organic semiconductors and metal-halide perovskites exhibit huge energy-level realignment during photoexcitation. Importantly, the photoinduced level shifts occur in the organic component, including the first molecular layer in direct contact with the perovskite. This is caused by charge-carrier accumulation within the organic semiconductor under illumination and the weak electronic coupling between the junction components.
Predicting the electron population of Earth's ring current during geomagnetic storms still remains a challenging task.
In this work, we investigate the sensitivity of 10 keV ring current electrons to different driving processes, parameterised by the Kp index, during several moderate and intense storms.
Results are validated against measurements from the Van Allen Probes satellites. Perturbing the Kp index allows us to identify the most dominant processes for moderate and intense storms respectively.
We find that during moderate storms (Kp < 6) the drift velocities mostly control the behaviour of low energy electrons, while loss from wave-particle interactions is the most critical parameter for quantifying the evolution of intense storms (Kp > 6). Perturbations of the Kp index used to drive the boundary conditions at GEO and set the plasmapause location only show a minimal effect on simulation results over a limited L range.
It is further shown that the flux at L & SIM; 3 is more sensitive to changes in the Kp index compared to higher L shells, making it a good proxy for validating the source-loss balance of a ring current model.
Motivated by recent epidemic outbreaks, including those of COVID-19, we solve the canonical problem of calculating the dynamics and likelihood of extensive outbreaks in a population within a large class of stochastic epidemic models with demographic noise, including the susceptible-infected-recovered (SIR) model and its general extensions.
In the limit of large populations, we compute the probability distribution for all extensive outbreaks, including those that entail unusually large or small (extreme) proportions of the population infected.
Our approach reveals that, unlike other well-known examples of rare events occurring in discrete-state stochastic systems, the statistics of extreme outbreaks emanate from a full continuum of Hamiltonian paths, each satisfying unique boundary conditions with a conserved probability flux.
The first detections of black hole-neutron star mergers (GW200105 and GW200115) by the LIGO-Virgo-Kagra Collaboration mark a significant scientific breakthrough. The physical interpretation of pre- and postmerger signals requires careful cross-examination between observational and theoretical modelling results. Here we present the first set of black hole-neutron star simulations that were obtained with the numerical-relativity code BAM. Our initial data are constructed using the public LORENE spectral library, which employs an excision of the black hole interior. BAM, in contrast, uses the moving-puncture gauge for the evolution. Therefore, we need to "stuff" the black hole interior with smooth initial data to evolve the binary system in time. This procedure introduces constraint violations such that the constraint damping properties of the evolution system are essential to increase the accuracy of the simulation and in particular to reduce spurious center-of-mass drifts. Within BAM we evolve the Z4c equations and we compare our gravitational-wave results with those of the SXS collaboration and results obtained with the SACRA code. While we find generally good agreement with the reference solutions and phase differences less than or similar to 0.5 rad at the moment of merger, the absence of a clean convergence order in our simulations does not allow for a proper error quantification. We finally present a set of different initial conditions to explore how the merger of black hole neutron star systems depends on the involved masses, spins, and equations of state.
The nature of the sources powering nebular He II emission in star-forming galaxies remains debated, and various types of objects have been considered, including Wolf-Rayet stars, X-ray binaries, and Population III stars.
Modern X-ray observations show the ubiquitous presence of hot gas filling star-forming galaxies. We use a collisional ionization plasma code to compute the specific He II ionizing flux produced by hot gas and show that if its temperature is not too high (less than or similar to 2.5 MK), then the observed levels of soft diffuse X-ray radiation could explain He II ionization in galaxies.
To gain a physical understanding of this result, we propose a model that combines the hydrodynamics of cluster winds and hot superbubbles with observed populations of young massive clusters in galaxies. We find that in low-metallicity galaxies, the temperature of hot gas is lower and the production rate of He II ionizing photons is higher compared to high-metallicity galaxies. The reason is that the slower stellar winds of massive stars in lower-metallicity galaxies input less mechanical energy in the ambient medium.
Furthermore, we show that ensembles of star clusters up to similar to 10-20 Myr old in galaxies can produce enough soft X-rays to induce nebular He II emission. We discuss observations of the template low-metallicity galaxy I Zw 18 and suggest that the He II nebula in this galaxy is powered by a hot superbubble.
Finally, appreciating the complex nature of stellar feedback, we suggest that soft X-rays from hot superbubbles are among the dominant sources of He II ionizing flux in low-metallicity star-forming galaxies.
The addition of nano-Al2O3 has been shown to enhance the breakdown voltage of epoxy resin, but its flashover results appeared with disputation. This work concentrates on the surface charge variation and dc flashover performance of epoxy resin with nano-Al2O3 doping. The dispersion of nano-Al2O3 in epoxy is characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). The dc flashover voltages of samples under either positive or negative polarity are measured with a finger-electrode system, and the surface charge variations before and after flashovers were identified from the surface potential mapping. The results evidence that nano-Al2O3 would lead to a 16.9% voltage drop for the negative flashovers and a 6.8% drop for positive cases. It is found that one-time flashover clears most of the accumulated surface charges, regardless of positive or negative. As a result, the ground electrode is neighbored by an equipotential zone enclosed with low-density heterocharges. The equipotential zone tends to be broadened after 20 flashovers. The nano-Al2O3 is noticed as beneficial to downsize the equipotential zone due to its capability on charge migration, which is reasonable to maintain flashover voltage at a high level after multiple flashovers. Hence, nano-Al2O3 plays a significant role in improving epoxy with high resistance to multiple flashovers.
R-Group stabilization in methylated formamides observed by resonant inelastic X-ray scattering
(2022)
The inherent stability of methylated formamides is traced to a stabilization of the deep-lying sigma-framework by resonant inelastic X-ray scattering at the nitrogen K-edge. Charge transfer from the amide nitrogen to the methyl groups underlie this stabilization mechanism that leaves the aldehyde group essentially unaltered and explains the stability of secondary and tertiary amides.
Simple and robust
(2021)
A spectrum of 7562 publications on Molecularly Imprinted Polymers (MIPs) has been presented in literature within the last ten years (Scopus, September 7, 2020). Around 10 % of the papers published on MIPs describe the recognition of proteins. The straightforward synthesis of MIPs is a significant advantage as compared with the preparation of enzymes or antibodies. MIPs have been synthesized from only one up to six functional monomers while proteins are made up of 20 natural amino acids. Furthermore, they can be synthesized against structures of low immunogenicity and allow multi-analyte measurements via multi-target synthesis. Electrochemical methods allow simple polymer synthesis, removal of the template and readout. Among the different sensor configurations electrochemical MIP-sensors provide the broadest spectrum of protein analytes. The sensitivity of MIP-sensors is sufficiently high for biomarkers in the sub-nanomolar region, nevertheless the cross-reactivity of highly abundant proteins in human serum is still a challenge. MIPs for proteins offer innovative tools not only for clinical and environmental analysis, but also for bioimaging, therapy and protein engineering.
Destabilization of super-rotating Taylor-Couette flows by current-free helical magnetic fields
(2021)
In an earlier paper we showed that the combination of azimuthal magnetic fields and super-rotation in Taylor-Couette flows of conducting fluids can be unstable against non-axisymmetric perturbations if the magnetic Prandtl number of the fluid is Pm not equal 1. Here we demonstrate that the addition of a weak axial field component allows axisymmetric perturbation patterns for Pm of order unity depending on the boundary conditions. The axisymmetric modes only occur for magnetic Mach numbers (of the azimuthal field) of order unity, while higher values are necessary for the non-axisymmetric modes. The typical growth time of the instability and the characteristic time scale of the axial migration of the axisymmetric mode are long compared with the rotation period, but short compared with the magnetic diffusion time. The modes travel in the positive or negative z direction along the rotation axis depending on the sign of B phi Bz. We also demonstrate that the azimuthal components of flow and field perturbations travel in phase if vertical bar B phi vertical bar >> vertical bar B-z vertical bar, independent of the form of the rotation law. Within a short-wave approximation for thin gaps it is also shown (in an appendix) that for ideal fluids the considered helical magnetorotational instability only exists for rotation laws with negative shear.
Basal ice-shelf melting is the key driver of Antarctica's increasing sea-level contribution. In diminishing the buttressing force of the ice shelves that fringe the ice sheet, the melting increases the ice discharge into the ocean.
Here we contrast the influence of basal melting in two different ice-shelf regions on the time-dependent response of an isothermal, inherently buttressed ice-sheet-shelf system. In the idealized numerical simulations, the basal-melt perturbations are applied close to the grounding line in the ice-shelf's (1) ice-stream region, where the ice shelf is fed by the fastest ice masses that stream through the upstream bed trough and (2) shear margins, where the ice flow is slower.
The results show that melting below one or both of the shear margins can cause a decadal to centennial increase in ice discharge that is more than twice as large compared to a similar perturbation in the ice-stream region. We attribute this to the fact that melt-induced ice-shelf thinning in the central grounding-line region is attenuated very effectively by the fast flow of the central ice stream. In contrast, the much slower ice dynamics in the lateral shear margins of the ice shelf facilitate sustained ice-shelf thinning and thereby foster buttressing reduction.
Regardless of the melt location, a higher melt concentration toward the grounding line generally goes along with a stronger response. Our results highlight the vulnerability of outlet glaciers to basal melting in stagnant, buttressing-relevant ice-shelf regions, a mechanism that may gain importance under future global warming.
The application of the fractional calculus in the mathematical modelling of relaxation processes in complex heterogeneous media has attracted a considerable amount of interest lately.
The reason for this is the successful implementation of fractional stochastic and kinetic equations in the studies of non-Debye relaxation.
In this work, we consider the rotational diffusion equation with a generalised memory kernel in the context of dielectric relaxation processes in a medium composed of polar molecules. We give an overview of existing models on non-exponential relaxation and introduce an exponential resetting dynamic in the corresponding process.
The autocorrelation function and complex susceptibility are analysed in detail.
We show that stochastic resetting leads to a saturation of the autocorrelation function to a constant value, in contrast to the case without resetting, for which it decays to zero. The behaviour of the autocorrelation function, as well as the complex susceptibility in the presence of resetting, confirms that the dielectric relaxation dynamics can be tuned by an appropriate choice of the resetting rate.
The presented results are general and flexible, and they will be of interest for the theoretical description of non-trivial relaxation dynamics in heterogeneous systems composed of polar molecules.
Ion-mobility spectrometry shows great promise to tackle analytically challenging research questions by adding another separation dimension to liquid chromatography-mass spectrometry.
The understanding of how analyte properties influence ion mobility has increased through recent studies, but no clear rationale for the design of customized experimental settings has emerged.
Here, we leverage machine learning to deepen our understanding of field asymmetric waveform ion-mobility spectrometry for the analysis of cross-linked peptides.
Knowing that predominantly m/z and then the size and charge state of an analyte influence the separation, we found ideal compensation voltages correlating with the size exclusion chromatography fraction number.
The effect of this relationship on the analytical depth can be substantial as exploiting it allowed us to almost double unique residue pair detections in a proteome-wide cross-linking experiment.
Other applications involving liquid- and gas-phase separation may also benefit from considering such parameter dependencies.
In this paper, we present a study comparing the depth to diameter (d/D) ratio of small simple craters (200-1000 m) of an area between -88.5 degrees to -90 degrees latitude at the lunar south pole containing Permanent Shadowed Regions (PSRs) versus craters without PSRs. As PSRs can reach temperatures of 110 K and are capable of harboring volatiles, especially water ice, we analyzed the relationship of depth versus diameter ratios and its possible implications for harboring water ice. Variations in the d/D ratios can also be caused by other processes such as degradation, isostatic adjustment, or differences in surface properties. The conducted d/D ratio analysis suggests that a differentiation between craters containing PSRs versus craters without PSRs occurs. Thus, a possible direct relation between d/D ratio, PSRs, and water ice harboring might exist. Our results suggest that differences in the target's surface properties may explain the obtained results. The resulting d/D ratios of craters with PSRs can help to select target areas for future In-Situ Resource Utilization (ISRU) missions.
We show that, although the equilibrium band dispersion of the Shockley-type surface state of two-dimensional Au(111) quantum films grown on W(110) does not deviate from the expected free-electron-like behavior, its nonequilibrium energy-momentum dispersion probed by time- and angle-resolved photoemission exhibits a remarkable kink above the Fermi level due to a significant enhancement of the effective mass. The kink is pronounced for certain thicknesses of the Au quantum well and vanishes in the very thin limit. We identify the kink as induced by the coupling between the Au(111) surface state and emergent quantum-well states which probe directly the buried gold-tungsten interface. The signatures of the coupling are further revealed by our time-resolved measurements which show that surface state and quantum-well states thermalize together behaving as dynamically locked electron populations. In particular, relaxation of hot carriers following laser excitation is similar for both surface state and quantum-well states and much slower than expected for a bulk metallic system. The influence of quantum confinement on the interplay between elementary scattering processes of the electrons at the surface and ultrafast carrier transport in the direction perpendicular to the surface is shown to be the reason for the slow electron dynamics.
We show that, although the equilibrium band dispersion of the Shockley-type surface state of two-dimensional Au(111) quantum films grown on W(110) does not deviate from the expected free-electron-like behavior, its nonequilibrium energy-momentum dispersion probed by time- and angle-resolved photoemission exhibits a remarkable kink above the Fermi level due to a significant enhancement of the effective mass. The kink is pronounced for certain thicknesses of the Au quantum well and vanishes in the very thin limit. We identify the kink as induced by the coupling between the Au(111) surface state and emergent quantum-well states which probe directly the buried gold-tungsten interface. The signatures of the coupling are further revealed by our time-resolved measurements which show that surface state and quantum-well states thermalize together behaving as dynamically locked electron populations. In particular, relaxation of hot carriers following laser excitation is similar for both surface state and quantum-well states and much slower than expected for a bulk metallic system. The influence of quantum confinement on the interplay between elementary scattering processes of the electrons at the surface and ultrafast carrier transport in the direction perpendicular to the surface is shown to be the reason for the slow electron dynamics.
The performance of the recently commissioned spectrometer PEAXIS for resonant inelastic soft X-ray scattering (RIXS) and X-ray photoelectron spectroscopy and its hosting beamline U41-PEAXIS at the BESSY II synchrotron are characterized. The beamline provides linearly polarized light from 180 eV to 1600 eV allowing for RIXS measurements in the range 200-1200 eV. The monochromator optics can be operated in different configurations to provide either high flux with up to 10(12) photons s(-1) within the focal spot at the sample or high energy resolution with a full width at half maximum of <40 meV at an incident photon energy of similar to 400 eV. The measured total energy resolution of the RIXS spectrometer is in very good agreement with theoretically predicted values obtained by ray-tracing simulations. PEAXIS features a 5 m-long RIXS spectrometer arm that can be continuously rotated about the sample position by 106 degrees within the horizontal photon scattering plane, thus enabling the study of momentum-transfer-dependent excitations. Selected scientific examples are presented to demonstrate the instrument capabilities, including measurements of excitations in single-crystalline NiO and in liquid acetone employing a fluid cell sample manipulator. Planned upgrades of the beamline and the RIXS spectrometer to further increase the energy resolution to similar to 100 meV at 1000 eV incident photon energy are discussed.
In the data analysis of oscillatory systems, methods based on phase reconstruction are widely used to characterize phase-locking properties and inferring the phase dynamics. The main component in these studies is an extraction of the phase from a time series of an oscillating scalar observable. We discuss a practical procedure of phase reconstruction by virtue of a recently proposed method termed iterated Hilbert transform embeddings. We exemplify the potential benefits and limitations of the approach by applying it to a generic observable of a forced Stuart-Landau oscillator. Although in many cases, unavoidable amplitude modulation of the observed signal does not allow for perfect phase reconstruction, in cases of strong stability of oscillations and a high frequency of the forcing, iterated Hilbert transform embeddings significantly improve the quality of the reconstructed phase. We also demonstrate that for significant amplitude modulation, iterated embeddings do not provide any improvement.
The quantification of spatial propagation of extreme precipitation events is vital in water resources planning and disaster mitigation. However, quantifying these extreme events has always been challenging as many traditional methods are insufficient to capture the nonlinear interrelationships between extreme event time series. Therefore, it is crucial to develop suitable methods for analyzing the dynamics of extreme events over a river basin with a diverse climate and complicated topography. Over the last decade, complex network analysis emerged as a powerful tool to study the intricate spatiotemporal relationship between many variables in a compact way. In this study, we employ two nonlinear concepts of event synchronization and edit distance to investigate the extreme precipitation pattern in the Ganga river basin. We use the network degree to understand the spatial synchronization pattern of extreme rainfall and identify essential sites in the river basin with respect to potential prediction skills. The study also attempts to quantify the influence of precipitation seasonality and topography on extreme events. The findings of the study reveal that (1) the network degree is decreased in the southwest to northwest direction, (2) the timing of 50th percentile precipitation within a year influences the spatial distribution of degree, (3) the timing is inversely related to elevation, and (4) the lower elevation greatly influences connectivity of the sites. The study highlights that edit distance could be a promising alternative to analyze event-like data by incorporating event time and amplitude and constructing complex networks of climate extremes.
We present a comparative study of the gas-phase UV spectra of uracil and its thionated counterparts (2-thiouracil, 4-thiouracil and 2,4-dithiouracil), closely supported by time-dependent density functional theory calculations to assign the transitions observed. We systematically discuss pure gas-phase spectra for the (thio)uracils in the range of 200-400 nm (similar to 3.2-6.4 eV), and examine the spectra of all four species with a single theoretical approach. We note that specific vibrational modelling is needed to accurately determine the spectra across the examined wavelength range, and systematically model the transitions that appear at wavelengths shorter than 250 nm. Additionally, we find in the cases of 2-thiouracil and 2,4-dithiouracil, that the gas-phase spectra deviate significantly from some previously published solution-phase spectra, especially those collected in basic environments.
The power conversion efficiency (PCE) of state-of-the-art organic solar cells is still limited by significant open-circuit voltage (V-OC) losses, partly due to the excitonic nature of organic materials and partly due to ill-designed architectures. Thus, quantifying different contributions of the V-OC losses is of importance to enable further improvements in the performance of organic solar cells. Herein, the spectroscopic and semiconductor device physics approaches are combined to identify and quantify losses from surface recombination and bulk recombination. Several state-of-the-art systems that demonstrate different V-OC losses in their performance are presented. By evaluating the quasi-Fermi level splitting (QFLS) and the V-OC as a function of the excitation fluence in nonfullerene-based PM6:Y6, PM6:Y11, and fullerene-based PPDT2FBT:PCBM devices with different architectures, the voltage losses due to different recombination processes occurring in the active layers, the transport layers, and at the interfaces are assessed. It is found that surface recombination at interfaces in the studied solar cells is negligible, and thus, suppressing the non-radiative recombination in the active layers is the key factor to enhance the PCE of these devices. This study provides a universal tool to explain and further improve the performance of recently demonstrated high-open-circuit-voltage organic solar cells.
Macro-economic assessments of climate impacts lack an analysis of the distribution of daily rainfall, which can resolve both complex societal impact channels and anthropogenically forced changes(1-6). Here, using a global panel of subnational economic output for 1,554 regions worldwide over the past 40 years, we show that economic growth rates are reduced by increases in the number of wet days and in extreme daily rainfall, in addition to responding nonlinearly to the total annual and to the standardized monthly deviations of rainfall. Furthermore, high-income nations and the services and manufacturing sectors are most strongly hindered by both measures of daily rainfall, complementing previous work that emphasized the beneficial effects of additional total annual rainfall in low-income, agriculturally dependent economies(4,7). By assessing the distribution of rainfall at multiple timescales and the effects on different sectors, we uncover channels through which climatic conditions can affect the economy. These results suggest that anthropogenic intensification of daily rainfall extremes(8-10) will have negative global economic consequences that require further assessment by those who wish to evaluate the costs of anthropogenic climate change.
Pre-service physics teachers often do not recognise the relevance for their future career in their university content knowledge courses. A lower perceived relevance can, however, have a negative effect on their motivation and on their academic success. Several intervention studies have been undertaken with the goal to increase this perceived relevance. A previous study shows that conceptual physics problems used in university physics courses are perceived by pre-service physics teachers as more relevant for their future career than regular, quantitative problems. It is however not clear, what the students' meaning of the construct 'relevance' is: what makes a problem more relevant to them than another problem? To answer this question, N = 7 pre-service teachers were interviewed using the repertory grid technique, based on the personal construct theory. Nine physics problems were discussed with regards to their perceived relevance and with regards to problem properties that distinguish these problems from each other. We are able to identify six problem properties that have a positive influence on the perceived relevance. Physics problems that are based on these properties should therefore potentially have a higher perceived relevance, which can have a positive effect on the motivation of the pre-service teachers who solve these problems.
A synthesis route to controlled and dynamic single polymer chain folding is reported. Sequence-controlled macromolecules containing precisely located selenol moieties within a polymer chain are synthesized. Oxidation of selenol functionalities lead to diselenide bridges and induces controlled intramolecular crosslinking to generate single chain collapse. The cyclization process is successfully characterized by SEC as well as by H-1 NMR and 2D HSQC NMR spectroscopies. In order to gain insight on the molecular level to reveal the degree of structural control, the folded polymers are transformed into folded molecular brushes that are known to be visualizable as single molecule structures by AFM. The "grafting onto" approach is performed by using triazolinedione-diene reaction to graft the side chain polymers. A series of folded molecular brushes as well as the corresponding linear controls are synthesized. AFM visualization is proving the cyclization of the folded backbone by showing globular objects, where non-folded brushes show typical worm-like structures. (C) 2019 The Authors. Journal of Polymer Science published by Wiley Periodicals, Inc.
A synthesis route to controlled and dynamic single polymer chain folding is reported. Sequence-controlled macromolecules containing precisely located selenol moieties within a polymer chain are synthesized. Oxidation of selenol functionalities lead to diselenide bridges and induces controlled intramolecular crosslinking to generate single chain collapse. The cyclization process is successfully characterized by SEC as well as by H-1 NMR and 2D HSQC NMR spectroscopies. In order to gain insight on the molecular level to reveal the degree of structural control, the folded polymers are transformed into folded molecular brushes that are known to be visualizable as single molecule structures by AFM. The "grafting onto" approach is performed by using triazolinedione-diene reaction to graft the side chain polymers. A series of folded molecular brushes as well as the corresponding linear controls are synthesized. AFM visualization is proving the cyclization of the folded backbone by showing globular objects, where non-folded brushes show typical worm-like structures. (C) 2019 The Authors. Journal of Polymer Science published by Wiley Periodicals, Inc.
Bacterial chemotaxis-a fundamental example of directional navigation in the living world-is key to many biological processes, including the spreading of bacterial infections. Many bacterial species were recently reported to exhibit several distinct swimming modes-the flagella may, for example, push the cell body or wrap around it. How do the different run modes shape the chemotaxis strategy of a multimode swimmer? Here, we investigate chemotactic motion of the soil bacterium Pseudomonas putida as a model organism. By simultaneously tracking the position of the cell body and the configuration of its flagella, we demonstrate that individual run modes show different chemotactic responses in nutrition gradients and, thus, constitute distinct behavioral states. On the basis of an active particle model, we demonstrate that switching between multiple run states that differ in their speed and responsiveness provides the basis for robust and efficient chemotaxis in complex natural habitats.
Photoluminescence spectroscopy is a widely applied characterization technique for semiconductor materials in general and halide perovskite solar cell materials in particular. It can give direct information on the recombination kinetics and processes as well as the internal electrochemical potential of free charge carriers in single semiconductor layers, layer stacks with transport layers, and complete solar cells. The correct evaluation and interpretation of photoluminescence requires the consideration of proper excitation conditions, calibration and application of the appropriate approximations to the rather complex theory, which includes radiative recombination, non-radiative recombination, interface recombination, charge transfer, and photon recycling. In this article, an overview is given of the theory and application to specific halide perovskite compositions, illustrating the variables that should be considered when applying photoluminescence analysis in these materials.
Photoluminescence spectroscopy is a widely applied characterization technique for semiconductor materials in general and halide perovskite solar cell materials in particular. It can give direct information on the recombination kinetics and processes as well as the internal electrochemical potential of free charge carriers in single semiconductor layers, layer stacks with transport layers, and complete solar cells. The correct evaluation and interpretation of photoluminescence requires the consideration of proper excitation conditions, calibration and application of the appropriate approximations to the rather complex theory, which includes radiative recombination, non-radiative recombination, interface recombination, charge transfer, and photon recycling. In this article, an overview is given of the theory and application to specific halide perovskite compositions, illustrating the variables that should be considered when applying photoluminescence analysis in these materials.
Transparent conductive materials based on indium oxide remain yet irreplaceable in various optoelectronic applications. Amorphous oxides appear especially attractive for technology as they are isotropic, demonstrate relatively high electron mobility and can be processed at low temperatures. Among them is indium zinc oxide (IZO) with a large zinc content that is crucial for keeping the amorphous state but redundant for the doping. In this work we investigated water-free and water containing IZO films obtained by radio frequency sputtering. The correlation between temperature driven changes of the chemical state, the optical and electrical properties as well as the progression of crystallization was in focus. Such characterization methods as: scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, temperature dependent Hall-effect measurements and others were applied. Temperature dependent electrical properties of amorphous IZO and IZO:H2O films were found to evolve similarly. Based on our experience in In2O3:H2O (In2O3:H or IOH) we proposed an explanation for the changes observed. Water admixture was found to decrease crystallization temperature of IZO significantly from similar to 550 degrees C to similar to 280 degrees C. Herewith, the presence and concentration of water and/or hydroxyls was found to determine Zn distribution in the film. In particular, Zn enrichment was detected at the film's surface respective to the high water and/or hydroxyl amount. Raman spectra revealed a two-dimensional crystallization of w-ZnO which precedes regardless water presence an extensive In2O3 crystallization. An abrupt loss of electron mobility as a result of crystallization was attributed to the formation of ZnO interlayer on grain boundaries.
We investigate the initiation and early evolution of 12 solar eruptions, including six active-region hot channel and six quiescent filament eruptions, which were well observed by the Solar Dynamics Observatory, as well as by the Solar Terrestrial Relations Observatory for the latter. The sample includes one failed eruption and 11 coronal mass ejections, with velocities ranging from 493 to 2140 km s(-1). A detailed analysis of the eruption kinematics yields the following main results. (1) The early evolution of all events consists of a slow-rise phase followed by a main-acceleration phase, the height-time profiles of which differ markedly and can be best fit, respectively, by a linear and an exponential function. This indicates that different physical processes dominate in these phases, which is at variance with models that involve a single process. (2) The kinematic evolution of the eruptions tends to be synchronized with the flare light curve in both phases. The synchronization is often but not always close. A delayed onset of the impulsive flare phase is found in the majority of the filament eruptions (five out of six). This delay and its trend to be larger for slower eruptions favor ideal MHD instability models. (3) The average decay index at the onset heights of the main acceleration is close to the threshold of the torus instability for both groups of events (although, it is based on a tentative coronal field model for the hot channels), suggesting that this instability initiates and possibly drives the main acceleration.
We investigate the initiation and early evolution of 12 solar eruptions, including six active-region hot channel and six quiescent filament eruptions, which were well observed by the Solar Dynamics Observatory, as well as by the Solar Terrestrial Relations Observatory for the latter. The sample includes one failed eruption and 11 coronal mass ejections, with velocities ranging from 493 to 2140 km s(-1). A detailed analysis of the eruption kinematics yields the following main results. (1) The early evolution of all events consists of a slow-rise phase followed by a main-acceleration phase, the height-time profiles of which differ markedly and can be best fit, respectively, by a linear and an exponential function. This indicates that different physical processes dominate in these phases, which is at variance with models that involve a single process. (2) The kinematic evolution of the eruptions tends to be synchronized with the flare light curve in both phases. The synchronization is often but not always close. A delayed onset of the impulsive flare phase is found in the majority of the filament eruptions (five out of six). This delay and its trend to be larger for slower eruptions favor ideal MHD instability models. (3) The average decay index at the onset heights of the main acceleration is close to the threshold of the torus instability for both groups of events (although, it is based on a tentative coronal field model for the hot channels), suggesting that this instability initiates and possibly drives the main acceleration.
Fluorination of organic spacer impacts on the structural and optical response of 2D perovskites
(2020)
Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent structural and optical features in two-dimensional (2D) perovskites is paramount for material optimization. To obtain a deeper understanding of the relationship between spacers and the corresponding 2D perovskite film properties, we explore the influence of the partial substitution of hydrogen atoms by fluorine in an alkylammonium organic cation, resulting in (Lc)(2)PbI4 and (Lf)(2)PbI4 2D perovskites, respectively. Consequently, optical analysis reveals a clear 0.2 eV blue-shift in the excitonic position at room temperature. This result can be mainly attributed to a band gap opening, with negligible effects on the exciton binding energy. According to Density Functional Theory (DFT) calculations, the band gap increases due to a larger distortion of the structure that decreases the atomic overlap of the wavefunctions and correspondingly bandwidth of the valence and conduction bands. In addition, fluorination impacts the structural rigidity of the 2D perovskite, resulting in a stable structure at room temperature and the absence of phase transitions at a low temperature, in contrast to the widely reported polymorphism in some non-fluorinated materials that exhibit such a phase transition. This indicates that a small perturbation in the material structure can strongly influence the overall structural stability and related phase transition of 2D perovskites, making them more robust to any phase change. This work provides key information on how the fluorine content in organic spacer influence the structural distortion of 2D perovskites and their optical properties which possess remarkable importance for future optoelectronic applications, for instance in the field of light-emitting devices or sensors.
Fluorination of organic spacer impacts on the structural and optical response of 2D perovskites
(2020)
Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent structural and optical features in two-dimensional (2D) perovskites is paramount for material optimization. To obtain a deeper understanding of the relationship between spacers and the corresponding 2D perovskite film properties, we explore the influence of the partial substitution of hydrogen atoms by fluorine in an alkylammonium organic cation, resulting in (Lc)(2)PbI4 and (Lf)(2)PbI4 2D perovskites, respectively. Consequently, optical analysis reveals a clear 0.2 eV blue-shift in the excitonic position at room temperature. This result can be mainly attributed to a band gap opening, with negligible effects on the exciton binding energy. According to Density Functional Theory (DFT) calculations, the band gap increases due to a larger distortion of the structure that decreases the atomic overlap of the wavefunctions and correspondingly bandwidth of the valence and conduction bands. In addition, fluorination impacts the structural rigidity of the 2D perovskite, resulting in a stable structure at room temperature and the absence of phase transitions at a low temperature, in contrast to the widely reported polymorphism in some non-fluorinated materials that exhibit such a phase transition. This indicates that a small perturbation in the material structure can strongly influence the overall structural stability and related phase transition of 2D perovskites, making them more robust to any phase change. This work provides key information on how the fluorine content in organic spacer influence the structural distortion of 2D perovskites and their optical properties which possess remarkable importance for future optoelectronic applications, for instance in the field of light-emitting devices or sensors.
Organic photovoltaics based on non-fullerene acceptors (NFAs) show record efficiency of 16 to 17% and increased photovoltage owing to the low driving force for interfacial charge-transfer. However, the low driving force potentially slows down charge generation, leading to a tradeoff between voltage and current. Here, we disentangle the intrinsic charge-transfer rates from morphology-dependent exciton diffusion for a series of polymer:NFA systems. Moreover, we establish the influence of the interfacial energetics on the electron and hole transfer rates separately. We demonstrate that charge-transfer timescales remain at a few hundred femtoseconds even at near-zero driving force, which is consistent with the rates predicted by Marcus theory in the normal region, at moderate electronic coupling and at low re-organization energy. Thus, in the design of highly efficient devices, the energy offset at the donor:acceptor interface can be minimized without jeopardizing the charge-transfer rate and without concerns about a current-voltage tradeoff.
Organic photovoltaics based on non-fullerene acceptors (NFAs) show record efficiency of 16 to 17% and increased photovoltage owing to the low driving force for interfacial charge-transfer. However, the low driving force potentially slows down charge generation, leading to a tradeoff between voltage and current. Here, we disentangle the intrinsic charge-transfer rates from morphology-dependent exciton diffusion for a series of polymer:NFA systems. Moreover, we establish the influence of the interfacial energetics on the electron and hole transfer rates separately. We demonstrate that charge-transfer timescales remain at a few hundred femtoseconds even at near-zero driving force, which is consistent with the rates predicted by Marcus theory in the normal region, at moderate electronic coupling and at low re-organization energy. Thus, in the design of highly efficient devices, the energy offset at the donor:acceptor interface can be minimized without jeopardizing the charge-transfer rate and without concerns about a current-voltage tradeoff.
According to established understanding, deep-water formation in the North Atlantic and Southern Ocean keeps the deep ocean cold, counter-acting the downward mixing of heat from the warmer surface waters in the bulk of the world ocean. Therefore, periods of strong Atlantic meridional overturning circulation (AMOC) are expected to coincide with cooling of the deep ocean and warming of the surface waters. It has recently been proposed that this relation may have reversed due to global warming, and that during the past decades a strong AMOC coincides with warming of the deep ocean and relative cooling of the surface, by transporting increasingly warmer waters downward. Here we present multiple lines of evidence, including a statistical evaluation of the observed global mean temperature, ocean heat content, and different AMOC proxies, that lead to the opposite conclusion: even during the current ongoing global temperature rise a strong AMOC warms the surface. The observed weakening of the AMOC has therefore delayed global surface warming rather than enhancing it.
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The overturning circulation in the Atlantic Ocean has weakened in response to global warming, as predicted by climate models. Since it plays an important role in transporting heat, nutrients and carbon, a slowdown will affect global climate processes and the global mean temperature. Scientists have questioned whether this slowdown has worked to cool or warm global surface temperatures. This study analyses the overturning strength and global mean temperature evolution of the past decades and shows that a slowdown acts to reduce the global mean temperature. This is because a slower overturning means less water sinks into the deep ocean in the subpolar North Atlantic. As the surface waters are cold there, the sinking normally cools the deep ocean and thereby indirectly warms the surface, thus less sinking implies less surface warming and has a cooling effect. For the foreseeable future, this means that the slowing of the overturning will likely continue to slightly reduce the effect of the general warming due to increasing greenhouse gas concentrations.
Non-linear dielectric spectroscopy (NLDS) is employed as an effective tool to study relaxation processes and phase transitions of a poly(vinylidenefluoride-trifluoroethylene-chlorofluoroethylene) (P(VDF-TrFE-CFE)) relaxor-ferroelectric (R-F) terpolymer in detail. Measurements of the non-linear dielectric permittivity epsilon 2 ' reveal peaks at 30 and 80 degrees C that cannot be identified in conventional dielectric spectroscopy. By combining the results from NLDS experiments with those from other techniques such as thermally stimulated depolarization and dielectric-hysteresis studies, it is possible to explain the processes behind the additional peaks. The former peak, which is associated with the mid-temperature transition, is found in all other vinylidene fluoride-based polymers and may help to understand the non-zero epsilon 2 ' values that are detected on the paraelectric phase of the terpolymer. The latter peak can also be observed during cooling of P(VDF-TrFE) copolymer samples at 100 degrees C and is due to conduction and space-charge polarization as a result of the accumulation of real charges at the electrode-sample interface.
In classical thermodynamic processes the unavoidable presence of irreversibility, quantified by the entropy production, carries two energetic footprints: the reduction of extractable work from the optimal, reversible case, and the generation of a surplus of heat that is irreversibly dissipated to the environment. Recently it has been shown that in the quantum regime an additional quantum irreversibility occurs that is linked to decoherence into the energy basis. Here we employ quantum trajectories to construct distributions for classical heat and quantum heat exchanges, and show that the heat footprint of quantum irreversibility differs markedly from the classical case. We also quantify how quantum irreversibility reduces the amount of work that can be extracted from a state with coherences. Our results show that decoherence leads to both entropic and energetic footprints which both play an important role in the optimization of controlled quantum operations at low temperature.
In classical thermodynamics irreversibility occurs whenever a non-thermal system is brought into contact with a thermal environment. Using quantum trajectories the authors here establish two energetic footprints of quantum irreversible processes, and find that while quantum irreversibility leads to the occurrence of a quantum heat and a reduction of work production, the two are not linked in the same manner as the classical laws of thermodynamics would dictate.
In classical thermodynamic processes the unavoidable presence of irreversibility, quantified by the entropy production, carries two energetic footprints: the reduction of extractable work from the optimal, reversible case, and the generation of a surplus of heat that is irreversibly dissipated to the environment. Recently it has been shown that in the quantum regime an additional quantum irreversibility occurs that is linked to decoherence into the energy basis. Here we employ quantum trajectories to construct distributions for classical heat and quantum heat exchanges, and show that the heat footprint of quantum irreversibility differs markedly from the classical case. We also quantify how quantum irreversibility reduces the amount of work that can be extracted from a state with coherences. Our results show that decoherence leads to both entropic and energetic footprints which both play an important role in the optimization of controlled quantum operations at low temperature.
In classical thermodynamics irreversibility occurs whenever a non-thermal system is brought into contact with a thermal environment. Using quantum trajectories the authors here establish two energetic footprints of quantum irreversible processes, and find that while quantum irreversibility leads to the occurrence of a quantum heat and a reduction of work production, the two are not linked in the same manner as the classical laws of thermodynamics would dictate.
Estimating global mean sea-level rise and its uncertainties by 2100 and 2300 from an expert survey
(2020)
Sea-level rise projections and knowledge of their uncertainties are vital to make informed mitigation and adaptation decisions. To elicit projections from members of the scientific community regarding future global mean sea-level (GMSL) rise, we repeated a survey originally conducted five years ago. Under Representative Concentration Pathway (RCP) 2.6, 106 experts projected a likely (central 66% probability) GMSL rise of 0.30-0.65 m by 2100, and 0.54-2.15 m by 2300, relative to 1986-2005. Under RCP 8.5, the same experts projected a likely GMSL rise of 0.63-1.32 m by 2100, and 1.67-5.61 m by 2300. Expert projections for 2100 are similar to those from the original survey, although the projection for 2300 has extended tails and is higher than the original survey. Experts give a likelihood of 42% (original survey) and 45% (current survey) that under the high-emissions scenario GMSL rise will exceed the upper bound (0.98 m) of the likely range estimated by the Fifth Assessment Report of the Intergovernmental Panel on Climate Change, which is considered to have an exceedance likelihood of 17%. Responses to open-ended questions suggest that the increases in upper-end estimates and uncertainties arose from recent influential studies about the impact of marine ice cliff instability on the meltwater contribution to GMSL rise from the Antarctic Ice Sheet.
Estimating global mean sea-level rise and its uncertainties by 2100 and 2300 from an expert survey
(2020)
Sea-level rise projections and knowledge of their uncertainties are vital to make informed mitigation and adaptation decisions. To elicit projections from members of the scientific community regarding future global mean sea-level (GMSL) rise, we repeated a survey originally conducted five years ago. Under Representative Concentration Pathway (RCP) 2.6, 106 experts projected a likely (central 66% probability) GMSL rise of 0.30-0.65 m by 2100, and 0.54-2.15 m by 2300, relative to 1986-2005. Under RCP 8.5, the same experts projected a likely GMSL rise of 0.63-1.32 m by 2100, and 1.67-5.61 m by 2300. Expert projections for 2100 are similar to those from the original survey, although the projection for 2300 has extended tails and is higher than the original survey. Experts give a likelihood of 42% (original survey) and 45% (current survey) that under the high-emissions scenario GMSL rise will exceed the upper bound (0.98 m) of the likely range estimated by the Fifth Assessment Report of the Intergovernmental Panel on Climate Change, which is considered to have an exceedance likelihood of 17%. Responses to open-ended questions suggest that the increases in upper-end estimates and uncertainties arose from recent influential studies about the impact of marine ice cliff instability on the meltwater contribution to GMSL rise from the Antarctic Ice Sheet.
We investigate a diffusion process with a time-dependent diffusion coefficient, both exponentially increasing and decreasing in time, D(t)=D-0(e +/- 2 alpha t). For this (hypothetical) nonstationary diffusion process we compute-both analytically and from extensive stochastic simulations-the behavior of the ensemble- and time-averaged mean-squared displacements (MSDs) of the particles, both in the over- and underdamped limits. Simple asymptotic relations derived for the short- and long-time behaviors are shown to be in excellent agreement with the results of simulations. The diffusive characteristics in the presence of ageing are also considered, with dramatic differences of the over- versus underdamped regime. Our results for D(t)=D-0(e +/- 2 alpha t) extend and generalize the class of diffusive systems obeying scaled Brownian motion featuring a power-law-like variation of the diffusivity with time, D(t) similar to t(alpha-1). We also examine the logarithmically increasing diffusivity, D(t)=D(0)log[t/tau(0)], as another fundamental functional dependence (in addition to the power-law and exponential) and as an example of diffusivity slowly varying in time. One of the main conclusions is that the behavior of the massive particles is predominantly ergodic, while weak ergodicity breaking is repeatedly found for the time-dependent diffusion of the massless particles at short times. The latter manifests itself in the nonequivalence of the (both nonaged and aged) MSD and the mean time-averaged MSD. The current findings are potentially applicable to a class of physical systems out of thermal equilibrium where a rapid increase or decrease of the particles' diffusivity is inherently realized. One biological system potentially featuring all three types of time-dependent diffusion (power-law-like, exponential, and logarithmic) is water diffusion in the brain tissues, as we thoroughly discuss in the end.
Concentrating Solar Power (CSP) offers flexible and decarbonized power generation and is one of the few dispatchable renewable technologies able to generate renewable electricity on demand. Today (2018) CSP contributes only 5TWh to the European power generation, but it has the potential to become one of the key pillars for European decarbonization pathways. In this paper we investigate how factors and pivotal policy decisions leading to different futures and associated CSP deployment in Europe in the years up to 2050. In a second step we characterize the scenarios with their associated system cost and the costs of support policies. We show that the role of CSP in Europe critically depends on political developments and the success or failure of policies outside renewable power. In particular, the uptake of CSP depends on the overall decarbonization ambition, the degree of cross border trade of renewable electricity and is enabled by the presence of strong grid interconnection between Southern and Norther European Member States as well as by future electricity demand growth. The presence of other baseload technologies, prominently nuclear power in France, reduce the role and need for CSP. Assuming favorable technological development, we find a strong role for CSP in Europe in all modeled scenarios: contributing between 100TWh to 300TWh of electricity to a future European power system. This would require increasing the current European CSP fleet by a factor of 20 to 60 in the next 30 years. To achieve this financial support between € 0.4-2 billion per year into CSP would be needed, representing only a small share of overall support needs for power-system transformation. Cooperation of Member States could further help to reduce this cost.
To study binary neutron star systems and to interpret observational data such as gravitational-wave and kilonova signals, one needs an accurate description of the processes that take place during the final stages of the coalescence, for example, through numerical-relativity simulations. In this work, we present an updated version of the numerical-relativity code BAM in order to incorporate nuclear-theory-based equations of state and a simple description of neutrino interactions through a neutrino leakage scheme. Different test simulations, for stars undergoing a neutrino-induced gravitational collapse and for binary neutron stars systems, validate our new implementation. For the binary neutron stars systems, we show that we can evolve stably and accurately distinct microphysical models employing the different equations of state: SFHo, DD2, and the hyperonic BHB Lambda phi. Overall, our test simulations have good agreement with those reported in the literature.
Writing a history of a scientific theory is always difficult because it requires to focus on some key contributors and to "reconstruct" some supposed influences. In the 1970s, a new way of performing science under the name "chaos" emerged, combining the mathematics from the nonlinear dynamical systems theory and numerical simulations. To provide a direct testimony of how contributors can be influenced by other scientists or works, we here collected some writings about the early times of a few contributors to chaos theory. The purpose is to exhibit the diversity in the paths and to bring some elements-which were never published-illustrating the atmosphere of this period. Some peculiarities of chaos theory are also discussed.
Diffraction enhanced imaging (DEI) is an advanced digital radiographic imaging technique employing the refraction of X-rays to contrast internal interfaces. This study aims to qualitatively and quantitatively evaluate images acquired using this technique and to assess how different fitting functions to the typical rocking curves (RCs) influence the quality of the images. RCs are obtained for every image pixel. This allows the separate determination of the absorption and the refraction properties of the material in a position-sensitive manner. Comparison of various types of fitting functions reveals that the Pseudo-Voigt (PsdV) function is best suited to fit typical RCs. A robust algorithm was developed in the Python programming language, which reliably extracts the physically meaningful information from each pixel of the image. We demonstrate the potential of the algorithm with two specimens: a silicone gel specimen that has well-defined interfaces, and an additively manufactured polycarbonate specimen.
Core-collapse supernova remnants are the gaseous nebulae of galactic interstellar media (ISM) formed after the explosive death of massive stars. Their morphology and emission properties depend both on the surrounding circumstellar structure shaped by the stellar wind-ISM interaction of the progenitor star and on the local conditions of the ambient medium. In the warm phase of the Galactic plane (n approximate to 1 cm(-3), T approximate to 8000 K), an organized magnetic field of strength 7 mu G has profound consequences on the morphology of the wind bubble of massive stars at rest. In this paper, we show through 2.5D magnetohydrodynamical simulations, in the context of a Wolf-Rayet-evolving 35 M 0 star, that it affects the development of its supernova remnant. When the supernova remnant reaches its middle age (15-20 kyr), it adopts a tubular shape that results from the interaction between the isotropic supernova ejecta and the anisotropic, magnetized, shocked stellar progenitor bubble into which the supernova blast wave expands. Our calculations for non-thermal emission, i.e. radio synchrotron and inverse-Compton radiation, reveal that such supernova remnants can, due to projection effects, appear as rectangular objects in certain cases. This mechanism for shaping a supernova remnant is similar to the bipolar and elliptical planetary nebula production by wind-wind interaction in the low-mass regime of stellar evolution. If such a rectangular core-collapse supernova remnant is created, the progenitor star must not have been a runaway star. We propose that such a mechanism is at work in the shaping of the asymmetric core-collapse supernova remnant Puppis A.
Synchrotron radiation-based Fourier transform infrared spectroscopy enables access to vibrational information from mid over far infrared to even terahertz domains. This information may prove critical for the elucidation of fundamental bio-molecular phenomena including folding-mediated innate host defence mechanisms. Antimicrobial peptides (AMPs) represent one of such phenomena. These are major effector molecules of the innate immune system, which favour attack on microbial membranes. AMPs recognise and bind to the membranes whereupon they assemble into pores or channels destabilising the membranes leading to cell death. However, specific molecular interactions responsible for antimicrobial activities have yet to be fully understood. Herein we probe such interactions by assessing molecular specific variations in the near-THz 400-40 cm(-1) range for defined helical AMP templates in reconstituted phospholipid membranes. In particular, we show that a temperature-dependent spectroscopic analysis, supported by 2D correlative tools, provides direct evidence for the membrane-induced and folding-mediated activity of AMPs. The far-FTIR study offers a direct and information-rich probe of membrane-related antimicrobial interactions.
We present the analysis of the optical variability of the early, nitrogen-rich Wolf-Rayet (WR) star WR 7. The analysis of multisector Transiting Exoplanet Survey Satellite (TESS) light curves and high-resolution spectroscopic observations confirm multiperiodic variability that is modulated on time-scales of years. We detect a dominant period of 2.6433 +/- 0.0005 d in the TESS sectors 33 and 34 light curves in addition to the previously reported high-frequency features from sector 7. We discuss the plausible mechanisms that may be responsible for such variability in WR 7, including pulsations, binarity, co-rotating interaction regions (CIRs), and clumpy winds. Given the lack of strong evidence for the presence of a stellar or compact companion, we suggest that WR 7 may pulsate in quasi-coherent modes in addition to wind variability likely caused by CIRs on top of stochastic low-frequency variability. WR 7 is certainly a worthy target for future monitoring in both spectroscopy and photometry to sample both the short (less than or similar to 1 d) and long (greater than or similar to 1000 d) variability time-scales.
We here present the results from a detailed analysis of nebular abundances of commonly observed ions in the collisional ring galaxy Cartwheel using the Very Large Telescope (VLT) Multi-Unit Spectroscopic Explorer (MUSE) data set. The analysis includes 221 H II regions in the star-forming ring, in addition to 40 relatively fainter H a-emitting regions in the spokes, disc, and the inner ring. The ionic abundances of He, N, O, and Fe are obtained using the direct method (DM) for 9, 20, 20, and 17 ring H II regions, respectively, where the S++ temperature-sensitive line is detected. For the rest of the regions, including all the nebulae between the inner and the outer ring, we obtained O abundances using the strong-line method (SLM). The ring regions have a median 12 + log O/H = 8.19 +/- 0.15, log N/O = -1.57 +/- 0.09 and log Fe/O = -2.24 +/- 0.09 using the DM. Within the range of O abundances seen in the Cartwheel, the N/O and Fe/O values decrease proportionately with increasing O, suggesting local enrichment of O without corresponding enrichment of primary N and Fe. The O abundances of the disc H II regions obtained using the SLM show a well-defined radial gradient. The mean O abundance of the ring H II regions is lower by similar to 0.1 dex as compared to the extrapolation of the radial gradient. The observed trends suggest the preservation of the pre-collisional abundance gradient, displacement of most of the processed elements to the ring, as predicted by the recent simulation by Renaud et al., and post-collisional infall of metal-poor gas in the ring.
Recently, a large number of research teams from around the world collaborated in the so-called 'anomalous diffusion challenge'. Its aim: to develop and compare new techniques for inferring stochastic models from given unknown time series, and estimate the anomalous diffusion exponent in data. We use various numerical methods to directly obtain this exponent using the path increments, and develop a questionnaire for model selection based on feature analysis of a set of known stochastic processes given as candidates. Here, we present the theoretical background of the automated algorithm which we put for these tasks in the diffusion challenge, as a counter to other pure data-driven approaches.
Synchronization regimes in an ensemble of phase oscillators coupled through a diffusion field
(2022)
We consider an ensemble of identical phase oscillators coupled through a common diffusion field. Using the Ott-Antonsen reduction, we develop dynamical equations for the complex local order parameter and the mean field. The regions of the existence and stability are determined for the totally synchronous, partially synchronous, and asynchronous spatially homogeneous states. A procedure of searching for inhomogeneous states as periodic trajectories of an auxiliary system of the ordinary differential equations is demonstrated. A scenario of emergence of chimera structures from homogeneous synchronous solutions is described.
Subdwarf B stars are core-helium-burning stars located on the extreme horizontal branch (EHB). Extensive mass loss on the red giant branch is necessary to form them. It has been proposed that substellar companions could lead to the required mass loss when they are engulfed in the envelope of the red giant star. J08205+0008 was the first example of a hot subdwarf star with a close, substellar companion candidate to be found. Here, we perform an in-depth re-analysis of this important system with much higher quality data allowing additional analysis methods. From the higher resolution spectra obtained with ESO-VLT/XSHOOTER, we derive the chemical abundances of the hot subdwarf as well as its rotational velocity. Using the Gaia parallax and a fit to the spectral energy distribution in the secondary eclipse, tight constraints to the radius of the hot subdwarf are derived. From a long-term photometric campaign, we detected a significant period decrease of -3.2(8) x 10(-12) dd(-1). This can be explained by the non-synchronized hot subdwarf star being spun up by tidal interactions forcing it to become synchronized. From the rate of period decrease we could derive the synchronization time-scale to be 4 Myr, much smaller than the lifetime on EHB. By combining all different methods, we could constrain the hot subdwarf to a mass of 0.39-0.50 M-circle dot and a radius of R-sdB = 0.194 +/- 0.008 R-circle dot, and the companion to 0.061-0.071 M-circle dot with a radius of R-comp = 0.092 +/- 0.005 R-circle dot, below the hydrogen-burning limit. We therefore confirm that the companion is most likely a massive brown dwarf.
Fires are a fundamental part of the Earth System. In the last decades, they have been altering ecosystem structure, biogeochemical cycles and atmospheric composition with unprecedented rapidity. In this study, we implement a complex networks-based methodology to track individual fires over space and time. We focus on extreme fires-the 5% most intense fires-in the tropical forests of the Brazilian Legal Amazon over the period 2002-2019. We analyse the interannual variability in the number and spatial patterns of extreme forest fires in years with diverse climatic conditions and anthropogenic pressure to examine potential synergies between climate and anthropogenic drivers. We observe that major droughts, that increase forest flammability, co-occur with high extreme fire years but also that it is fundamental to consider anthropogenic activities to understand the distribution of extreme fires. Deforestation fires, fires escaping from managed lands, and other types of forest degradation and fragmentation provide the ignition sources for fires to ignite in the forests. We find that all extreme forest fires identified are located within a 0.5-km distance from forest edges, and up to 56% of them are within a 1-km distance from roads (which increases to 73% within 5 km), showing a strong correlation that defines spatial patterns of extreme fires.
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.
Chinese CSP for the world?
(2022)
For three consecutive five-year plans since 2006, China has worked on building up an internationally competitive CSP industry and value chain. One big milestone in commercializing proprietary Chinese CSP technology was the 2016 demonstration program of 20 commercial-scale projects. China sought to increase and demonstrate capacities for domestic CSP technology development and deployment. At the end of the 13th five-year period, we take stock of the demonstrated progress of the Chinese CSP industry towards delivering internationally competitive CSP projects. We find that in January 2021, eight commercial-scale projects, in total 500 MW, have been completed and three others were under construction in China. In addition, Chinese EPC’s have participated in three international CSP projects, although proprietary Chinese CSP designs have not been applied outside China. The largest progress has been made in molten-salt tower technology, with several projects by different companies completed and operating successfully: here, the aims were met, and Chinese companies are now at the global forefront of this segment. Further efforts for large-scale demonstration are needed, however, for other CSP technologies, including parabolic trough - with additional demonstration hindered by a lack of further deployment policies. In the near future, Chinese companies seek to employ the demonstrated capabilities in the tower segment abroad and are developing projects using Chinese technology, financing, and components in several overseas markets. If successful, this will likely lead to increasing competition and further cost reductions for the global CSP sector.
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.