TY - JOUR A1 - Vilk, Ohad A1 - Aghion, Erez A1 - Nathan, Ran A1 - Toledo, Sivan A1 - Metzler, Ralf A1 - Assaf, Michael T1 - Classification of anomalous diffusion in animal movement data using power spectral analysis JF - Journal of physics : A, Mathematical and theoretical N2 - 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. KW - diffusion KW - anomalous diffusion KW - power spectral analysis KW - ecological KW - movement data Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac7e8f SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 33 PB - IOP Publishing CY - Bristol ER - TY - JOUR A1 - Sposini, Vittoria A1 - Chechkin, Aleksei A1 - Sokolov, Igor M. A1 - Roldan-Vargas, Sandalo T1 - Detecting temporal correlations in hopping dynamics in Lennard-Jones liquids JF - Journal of physics : A, Mathematical and theoretical N2 - 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. KW - glassy systems KW - hopping dynamics KW - jump detection KW - rare events Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac7e0a SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 32 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Krämer, Hauke Kai A1 - Gelbrecht, Maximilian A1 - Pavithran, Induja A1 - Sujith, Ravindran A1 - Marwan, Norbert T1 - Optimal state space reconstruction via Monte Carlo decision tree search JF - Nonlinear Dynamics N2 - A novel idea for an optimal time delay state space reconstruction from uni- and multivariate time series is presented. The entire embedding process is considered as a game, in which each move corresponds to an embedding cycle and is subject to an evaluation through an objective function. This way the embedding procedure can be modeled as a tree, in which each leaf holds a specific value of the objective function. By using a Monte Carlo ansatz, the proposed algorithm populates the tree with many leafs by computing different possible embedding paths and the final embedding is chosen as that particular path, which ends at the leaf with the lowest achieved value of the objective function. The method aims to prevent getting stuck in a local minimum of the objective function and can be used in a modular way, enabling practitioners to choose a statistic for possible delays in each embedding cycle as well as a suitable objective function themselves. The proposed method guarantees the optimization of the chosen objective function over the parameter space of the delay embedding as long as the tree is sampled sufficiently. As a proof of concept, we demonstrate the superiority of the proposed method over the classical time delay embedding methods using a variety of application examples. We compare recurrence plot-based statistics inferred from reconstructions of a Lorenz-96 system and highlight an improved forecast accuracy for map-like model data as well as for palaeoclimate isotope time series. Finally, we utilize state space reconstruction for the detection of causality and its strength between observables of a gas turbine type thermoacoustic combustor. KW - State space reconstruction KW - Embedding KW - Optimization KW - Time series analysis KW - Causality KW - Prediction KW - Recurrence analysis Y1 - 2022 U6 - https://doi.org/10.1007/s11071-022-07280-2 SN - 0924-090X SN - 1573-269X VL - 108 IS - 2 SP - 1525 EP - 1545 PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Yuan, Jun A1 - Zhang, Chujun A1 - Qiu, Beibei A1 - Liu, Wei A1 - So, Shu Kong A1 - Mainville, Mathieu A1 - Leclerc, Mario A1 - Shoaee, Safa A1 - Neher, Dieter A1 - Zou, Yingping T1 - Effects of energetic disorder in bulk heterojunction organic solar cells JF - Energy & environmental science N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1039/d2ee00271j SN - 1754-5692 SN - 1754-5706 VL - 15 IS - 7 SP - 2806 EP - 2818 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Kroh, Daniel A1 - Eller, Fabian A1 - Schötz, Konstantin A1 - Wedler, Stefan A1 - Perdigón-Toro, Lorena A1 - Freychet, Guillaume A1 - Wei, Qingya A1 - Dörr, Maximilian A1 - Jones, David A1 - Zou, Yingping A1 - Herzig, Eva M. A1 - Neher, Dieter A1 - Köhler, Anna T1 - Identifying the signatures of intermolecular interactions in blends of PM6 with Y6 and N4 using absorption spectroscopy JF - Advanced functional materials N2 - 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. KW - charge-transfer states KW - Frank-Condon analysis KW - morphology KW - organic solar cells Y1 - 2022 U6 - https://doi.org/10.1002/adfm.202205711 SN - 1616-301X SN - 1616-3028 VL - 32 IS - 44 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Kumar, Aanjaneya T1 - First-passage times of multiple diffusing particles with reversible target-binding kinetics JF - Journal of physics : A, Mathematical and theoretical N2 - 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. KW - first-passage time KW - diffusion-controlled reactions KW - reversible binding KW - extreme statistics Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac7e91 SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 32 PB - IOP Publ. CY - Bristol ER - TY - JOUR A1 - Werner, Klaus A1 - Reindl, Nicole A1 - Dorsch, Matti A1 - Geier, Stephan A1 - Munari, Ulisse A1 - Raddi, Roberto T1 - Non-local thermodynamic equilibrium spectral analysis of five hot, hydrogen-deficient pre-white dwarfs JF - Astronomy and Astrophysics N2 - Hot, compact, hydrogen-deficient pre-white dwarfs (pre-WDs) with effective temperatures of Teff > 70 000 K and a surface gravity of 5.0 < logg < 7.0 are rather rare objects despite recent and ongoing surveys. It is believed that they are the outcome of either single star evolution (late helium-shell flash or late helium-core flash) or binary star evolution (double WD merger). Their study is interesting because the surface elemental abundances reflect the physics of thermonuclear flashes and merger events. Spectroscopically they are divided in three different classes, namely PG1159, O(He), or He-sdO. We present a spectroscopic analysis of five such stars that turned out to have atmospheric parameters in the range Teff = 70 000-80 000 K and logg = 5.2-6.3. The three investigated He-sdOs have a relatively high hydrogen mass fraction (10%) that is unexplained by both single (He core flash) and binary evolution (He-WD merger) scenarios. The O(He) star JL 9 is probably a binary helium-WD merger, but its hydrogen content (6%) is also at odds with merger models. We found that RL 104 is the 'coolest' (Teff = 80 000 K) member of the PG1159 class in a pre-WD stage. Its optical spectrum is remarkable because it exhibits C※ IV lines involving Rydberg states with principal quantum numbers up to n = 22. Its rather low mass (0.48-0.02+0.03 M·) is difficult to reconcile with the common evolutionary scenario for PG1159 stars due to it being the outcome of a (very) late He-shell flash. The same mass-problem faces a merger model of a close He-sdO plus CO WD binary that predicts PG1159-like abundances. Perhaps RL 104 originates from a very late He-shell flash in a CO/He WD formed by a merger of two low-mass He-WDs. KW - stars: atmospheres KW - stars: abundances KW - stars: evolution KW - subdwarfs KW - white dwarfs Y1 - 2022 U6 - https://doi.org/10.1051/0004-6361/202142397 SN - 0004-6361 SN - 1432-0746 VL - 658 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Shayduk, Roman A1 - Hallmann, Jörg A1 - Rodriguez-Fernandez, Angel A1 - Scholz, Markus A1 - Lu, Wei A1 - Bösenberg, Ulrike A1 - Möller, Johannes A1 - Zozulya, Alexey A1 - Jiang, Man A1 - Wegner, Ulrike A1 - Secareanu, Radu-Costin A1 - Palmer, Guido A1 - Emons, Moritz A1 - Lederer, Max A1 - Volkov, Sergey A1 - Lindfors-Vrejoiu, Ionela A1 - Schick, Daniel A1 - Herzog, Marc A1 - Bargheer, Matias A1 - Madsen, Anders T1 - Femtosecond x-ray diffraction study of multi-THz coherent phonons in SrTiO3 JF - Applied physics letters N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1063/5.0083256 SN - 0003-6951 SN - 1077-3118 VL - 120 IS - 20 PB - AIP Publishing CY - Melville ER - TY - JOUR A1 - Singh, Rishu Kumar A1 - Górska, Katarzyna A1 - Sandev, Trifce T1 - General approach to stochastic resetting JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevE.105.064133 SN - 2470-0045 SN - 2470-0053 VL - 105 IS - 6 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Padash, Amin A1 - Sandev, Trifce A1 - Kantz, Holger A1 - Metzler, Ralf A1 - Chechkin, Aleksei T1 - Asymmetric Levy flights are more efficient in random search JF - Fractal and fractional N2 - 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. KW - asymmetric Levy flights KW - first-arrival density KW - search efficiency Y1 - 2022 U6 - https://doi.org/10.3390/fractalfract6050260 SN - 2504-3110 VL - 6 IS - 5 PB - MDPI CY - Basel ER -