@article{AbiusoHolubecAndersetal.2022, author = {Abiuso, Paolo and Holubec, Viktor and Anders, Janet and Ye, Zhuolin and Cerisola, Federico and Perarnau-Llobet, Marti}, title = {Thermodynamics and optimal protocols of multidimensional quadratic Brownian systems}, series = {Journal of physics communications}, volume = {6}, journal = {Journal of physics communications}, number = {6}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {2399-6528}, doi = {10.1088/2399-6528/ac72f8}, pages = {15}, year = {2022}, abstract = {We characterize finite-time thermodynamic processes of multidimensional quadratic overdamped systems. Analytic expressions are provided for heat, work, and dissipation for any evolution of the system covariance matrix. The Bures-Wasserstein metric between covariance matrices naturally emerges as the local quantifier of dissipation. General principles of how to apply these geometric tools to identify optimal protocols are discussed. Focusing on the relevant slow-driving limit, we show how these results can be used to analyze cases in which the experimental control over the system is partial.}, language = {en} } @article{KuehnMuellerSorgenfreietal.2019, author = {K{\"u}hn, Danilo and M{\"u}ller, Moritz and Sorgenfrei, Nomi and Giangrisostomi, Erika and Jay, Raphael Martin and Ovsyannikov, Ruslan and Martensson, Nils and Sanchez-Portal, Daniel and F{\"o}hlisch, Alexander}, title = {Directional sub-femtosecond charge transfer dynamics and the dimensionality of 1T-TaS2}, series = {Scientific reports}, volume = {9}, journal = {Scientific reports}, number = {488}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-018-36637-0}, pages = {9}, year = {2019}, abstract = {For the layered transition metal dichalcogenide 1T-TaS2, we establish through a unique experimental approach and density functional theory, how ultrafast charge transfer in 1T-TaS2 takes on isotropic three-dimensional character or anisotropic two-dimensional character, depending on the commensurability of the charge density wave phases of 1T-TaS2. The X-ray spectroscopic core-hole-clock method prepares selectively in-and out-of-plane polarized sulfur 3p orbital occupation with respect to the 1T-TaS2 planes and monitors sub-femtosecond wave packet delocalization. Despite being a prototypical two-dimensional material, isotropic three-dimensional charge transfer is found in the commensurate charge density wave phase (CCDW), indicating strong coupling between layers. In contrast, anisotropic two-dimensional charge transfer occurs for the nearly commensurate phase (NCDW). In direct comparison, theory shows that interlayer interaction in the CCDW phase - not layer stacking variations - causes isotropic three-dimensional charge transfer. This is presumably a general mechanism for phase transitions and tailored properties of dichalcogenides with charge density waves.}, language = {en} } @article{KuehnGiangrisostomiJayetal.2019, author = {K{\"u}hn, Danilo and Giangrisostomi, Erika and Jay, Raphael Martin and Sorgenfrei, Nomi and F{\"o}hlisch, Alexander}, title = {The influence of x-ray pulse length on space-charge effects in optical pump/x-ray probe photoemission}, series = {New journal of physics : the open-access journal for physics}, volume = {21}, journal = {New journal of physics : the open-access journal for physics}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1367-2630}, doi = {10.1088/1367-2630/ab2f5c}, pages = {12}, year = {2019}, abstract = {Pump-probe photoelectron spectroscopy (PES) is a versatile tool to investigate the dynamics of transient states of excited matter. Vacuum space-charge effects can mask these dynamics and complicate the interpretation of electron spectra. Here we report on space-charge effects in Au 4f photoemission from a polycrystalline gold surface, excited with moderately intense 90 ps (FWHM) soft x-ray probe pulses, under the influence of the Coulomb forces exerted by a pump electron cloud, which was produced by intense 40 fs laser pulses. The experimentally observed kinetic energy shift and spectral broadening of the Au 4f lines, measured with highly-efficient time-of-flight spectroscopy, are in good agreement with simulations utilizing a mean-field model of the electrostatic pump electron potential. This confirms that the line broadening is predominantly caused by variations in the take-off time of the probe electrons without appreciable influence of local scattering events. Our findings might be of general interest for pump-probe PES with picosecond-pulse-length sources.}, language = {en} } @article{BarraHovhannisyanImparato2022, author = {Barra, Felipe and Hovhannisyan, Karen V. and Imparato, Alberto}, title = {Quantum batteries at the verge of a phase transition}, series = {New journal of physics : the open-access journal for physics}, volume = {24}, journal = {New journal of physics : the open-access journal for physics}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1367-2630}, doi = {10.1088/1367-2630/ac43ed}, pages = {17}, year = {2022}, abstract = {Starting from the observation that the reduced state of a system strongly coupled to a bath is, in general, an athermal state, we introduce and study a cyclic battery-charger quantum device that is in thermal equilibrium, or in a ground state, during the charge storing stage. The cycle has four stages: the equilibrium storage stage is interrupted by disconnecting the battery from the charger, then work is extracted from the battery, and then the battery is reconnected with the charger; finally, the system is brought back to equilibrium. At no point during the cycle are the battery-charger correlations artificially erased. We study the case where the battery and charger together comprise a spin-1/2 Ising chain, and show that the main characteristics-the extracted energy and the thermodynamic efficiency-can be enhanced by operating the cycle close to the quantum phase transition point. When the battery is just a single spin, we find that the output work and efficiency show a scaling behavior at criticality and derive the corresponding critical exponents. Due to always present correlations between the battery and the charger, operations that are equivalent from the perspective of the battery can entail different energetic costs for switching the battery-charger coupling. This happens only when the coupling term does not commute with the battery's bare Hamiltonian, and we use this purely quantum leverage to further optimize the performance of the device.}, language = {en} } @article{MatternPudellLaskinetal.2021, author = {Mattern, Maximilian and Pudell, Jan-Etienne and Laskin, Gennadii and Reppert, Alexander von and Bargheer, Matias}, title = {Analysis of the temperature- and fluence-dependent magnetic stress in laser-excited SrRuO3}, series = {Structural dynamics}, volume = {8}, journal = {Structural dynamics}, number = {2}, publisher = {AIP Publishing LLC}, address = {Melville, NY}, issn = {2329-7778}, doi = {10.1063/4.0000072}, pages = {9}, year = {2021}, abstract = {We use ultrafast x-ray diffraction to investigate the effect of expansive phononic and contractive magnetic stress driving the picosecond strain response of a metallic perovskite SrRuO3 thin film upon femtosecond laser excitation. We exemplify how the anisotropic bulk equilibrium thermal expansion can be used to predict the response of the thin film to ultrafast deposition of energy. It is key to consider that the laterally homogeneous laser excitation changes the strain response compared to the near-equilibrium thermal expansion because the balanced in-plane stresses suppress the Poisson stress on the picosecond timescale. We find a very large negative Gr{\"u}neisen constant describing the large contractive stress imposed by a small amount of energy in the spin system. The temperature and fluence dependence of the strain response for a double-pulse excitation scheme demonstrates the saturation of the magnetic stress in the high-fluence regime.}, language = {en} } @article{PranavHultzschMusiienkoetal.2023, author = {Pranav, Manasi and Hultzsch, Thomas and Musiienko, Artem and Sun, Bowen and Shukla, Atul and Jaiser, Frank and Shoaee, Safa and Neher, Dieter}, title = {Anticorrelated photoluminescence and free charge generation proves field-assisted exciton dissociation in low-offset PM6:Y5 organic solar cells}, series = {APL materials : high impact open access journal in functional materials science}, volume = {11}, journal = {APL materials : high impact open access journal in functional materials science}, number = {6}, publisher = {AIP Publishing}, address = {Melville}, issn = {2166-532X}, doi = {10.1063/5.0151580}, pages = {8}, year = {2023}, abstract = {Understanding the origin of inefficient photocurrent generation in organic solar cells with low energy offset remains key to realizing high-performance donor-acceptor systems. Here, we probe the origin of field-dependent free-charge generation and photoluminescence in wnon-fullereneacceptor (NFA)-based organic solar cells using the polymer PM6 and the NFA Y5-a non-halogenated sibling to Y6, with a smaller energetic offset to PM6. By performing time-delayed collection field (TDCF) measurements on a variety of samples with different electron transport layers and active layer thickness, we show that the fill factor and photocurrent are limited by field-dependent free charge generation in the bulk of the blend. We also introduce a new method of TDCF called m-TDCF to prove the absence of artifacts from non-geminate recombination of photogenerated and dark charge carriers near the electrodes. We then correlate free charge generation with steady-state photoluminescence intensity and find perfect anticorrelation between these two properties. Through this, we conclude that photocurrent generation in this low-offset system is entirely controlled by the field-dependent dissociation of local excitons into charge-transfer states. (c) 2023 Author(s).}, language = {en} } @article{HovhannisyanNematiHenkeletal.2023, author = {Hovhannisyan, Karen V. and Nemati, Somayyeh and Henkel, Carsten and Anders, Janet}, title = {Long-time equilibration can determine transient thermality}, series = {PRX Quantum}, volume = {4}, journal = {PRX Quantum}, number = {3}, publisher = {American Physical Society}, address = {College Park}, issn = {2691-3399}, doi = {10.1103/PRXQuantum.4.030321}, pages = {23}, year = {2023}, abstract = {When two initially thermal many-body systems start to interact strongly, their transient states quickly become non-Gibbsian, even if the systems eventually equilibrate. To see beyond this apparent lack of structure during the transient regime, we use a refined notion of thermality, which we call g-local. A system is g-locally thermal if the states of all its small subsystems are marginals of global thermal states. We numerically demonstrate for two harmonic lattices that whenever the total system equilibrates in the long run, each lattice remains g-locally thermal at all times, including the transient regime. This is true even when the lattices have long-range interactions within them. In all cases, we find that the equilibrium is described by the generalized Gibbs ensemble, with three-dimensional lattices requiring special treatment due to their extended set of conserved charges. We compare our findings with the well-known two-temperature model. While its standard form is not valid beyond weak coupling, we show that at strong coupling it can be partially salvaged by adopting the concept of a g-local temperature.}, language = {en} } @article{PadashAghionSchulzetal.2022, author = {Padash, Amin and Aghion, Erez and Schulz, Alexander and Barkai, Eli and Chechkin, Aleksei V. and Metzler, Ralf and Kantz, Holger}, title = {Local equilibrium properties of ultraslow diffusion in the Sinai model}, series = {New journal of physics}, volume = {24}, journal = {New journal of physics}, number = {7}, publisher = {IOP Publishing}, address = {Bristol}, issn = {1367-2630}, doi = {10.1088/1367-2630/ac7df8}, pages = {14}, year = {2022}, abstract = {We perform numerical studies of a thermally driven, overdamped particle in a random quenched force field, known as the Sinai model. We compare the unbounded motion on an infinite 1-dimensional domain to the motion in bounded domains with reflecting boundaries and show that the unbounded motion is at every time close to the equilibrium state of a finite system of growing size. This is due to time scale separation: inside wells of the random potential, there is relatively fast equilibration, while the motion across major potential barriers is ultraslow. Quantities studied by us are the time dependent mean squared displacement, the time dependent mean energy of an ensemble of particles, and the time dependent entropy of the probability distribution. Using a very fast numerical algorithm, we can explore times up top 10(17) steps and thereby also study finite-time crossover phenomena.}, language = {en} } @article{MatternReppertZeuschneretal.2023, author = {Mattern, Maximilian and Reppert, Alexander von and Zeuschner, Steffen Peer and Herzog, Marc and Pudell, Jan-Etienne and Bargheer, Matias}, title = {Concepts and use cases for picosecond ultrasonics with x-rays}, series = {Photoacoustics}, volume = {31}, journal = {Photoacoustics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2213-5979}, doi = {10.1016/j.pacs.2023.100503}, pages = {22}, year = {2023}, abstract = {This review discusses picosecond ultrasonics experiments using ultrashort hard x-ray probe pulses to extract the transient strain response of laser-excited nanoscopic structures from Bragg-peak shifts. This method provides direct, layer-specific, and quantitative information on the picosecond strain response for structures down to few-nm thickness. We model the transient strain using the elastic wave equation and express the driving stress using Gruneisen parameters stating that the laser-induced stress is proportional to energy density changes in the microscopic subsystems of the solid, i.e., electrons, phonons and spins. The laser-driven strain response can thus serve as an ultrafast proxy for local energy-density and temperature changes, but we emphasize the importance of the nanoscale morphology for an accurate interpretation due to the Poisson effect. The presented experimental use cases encompass ultrathin and opaque metal-heterostructures, continuous and granular nanolayers as well as negative thermal expansion materials, that each pose a challenge to established all-optical techniques.}, language = {en} } @article{VilkAghionAvgaretal.2022, author = {Vilk, Ohad and Aghion, Erez and Avgar, Tal and Beta, Carsten and Nagel, Oliver and Sabri, Adal and Sarfati, Raphael and Schwartz, Daniel K. and Weiß, Matthias and Krapf, Diego and Nathan, Ran and Metzler, Ralf and Assaf, Michael}, title = {Unravelling the origins of anomalous diffusion}, series = {Physical review research / American Physical Society}, volume = {4}, journal = {Physical review research / American Physical Society}, number = {3}, publisher = {American Physical Society}, address = {College Park, MD}, issn = {2643-1564}, doi = {10.1103/PhysRevResearch.4.033055}, pages = {16}, year = {2022}, abstract = {Anomalous diffusion or, more generally, anomalous transport, with nonlinear dependence of the mean-squared displacement on the measurement time, is ubiquitous in nature. It has been observed in processes ranging from microscopic movement of molecules to macroscopic, large-scale paths of migrating birds. Using data from multiple empirical systems, spanning 12 orders of magnitude in length and 8 orders of magnitude in time, we employ a method to detect the individual underlying origins of anomalous diffusion and transport in the data. This method decomposes anomalous transport into three primary effects: long-range correlations ("Joseph effect"), fat-tailed probability density of increments ("Noah effect"), and nonstationarity ("Moses effect"). We show that such a decomposition of real-life data allows us to infer nontrivial behavioral predictions and to resolve open questions in the fields of single-particle tracking in living cells and movement ecology.}, language = {en} } @article{MatternPudellDumesniletal.2023, author = {Mattern, Maximilian and Pudell, Jan-Etienne and Dumesnil, Karine and Reppert, Alexander von and Bargheer, Matias}, title = {Towards shaping picosecond strain pulses via magnetostrictive transducers}, series = {Photoacoustics}, volume = {30}, journal = {Photoacoustics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2213-5979}, doi = {10.1016/j.pacs.2023.100463}, pages = {7}, year = {2023}, abstract = {Using time-resolved x-ray diffraction, we demonstrate the manipulation of the picosecond strain response of a metallic heterostructure consisting of a dysprosium (Dy) transducer and a niobium (Nb) detection layer by an external magnetic field. We utilize the first-order ferromagnetic-antiferromagnetic phase transition of the Dy layer, which provides an additional large contractive stress upon laser excitation compared to its zerofield response. This enhances the laser-induced contraction of the transducer and changes the shape of the picosecond strain pulses driven in Dy and detected within the buried Nb layer. Based on our experiment with rare-earth metals we discuss required properties for functional transducers, which may allow for novel field-control of the emitted picosecond strain pulses.}, language = {en} } @article{JaiserAkperovTimazhevetal.2023, author = {Jaiser, Ralf and Akperov, Mirseid and Timazhev, A. and Romanowsky, Erik and Handorf, D{\"o}rthe and Mokhov, I. I.}, title = {Linkages between arctic and mid-latitude weather and climate}, series = {Meteorologische Zeitschrift}, volume = {32}, journal = {Meteorologische Zeitschrift}, number = {3}, publisher = {Schweizerbart}, address = {Stuttgart}, issn = {0941-2948}, doi = {10.1127/metz/2023/1154}, pages = {173 -- 194}, year = {2023}, abstract = {The study addresses the question, if observed changes in terms of Arctic-midlatitude linkages during winter are driven by Arctic Sea ice decline alone or if the increase of global sea surface temperatures plays an additional role. We compare atmosphere-only model experiments with ECHAM6 to ERA-Interim Reanalysis data. The model sensitivity experiment is implemented as a set of four combinations of sea ice and sea surface temperature boundary conditions. Atmospheric circulation regimes are determined and evaluated in terms of their cyclone and blocking characteristics and changes in frequency during winter. As a prerequisite, ECHAM6 reproduces general features of circulation regimes very well. Tropospheric changes induced by the change of boundary conditions are revealed and further impacts on the large-scale circulation up into the stratosphere are investigated. In early winter, the observed increase of atmospheric blocking in the region between Scandinavia and the Urals are primarily related to the changes in sea surface temperatures. During late winter, we f nd a weakened polar stratospheric vortex in the reanalysis that further impacts the troposphere. In the model sensitivity study a climatologically weakened polar vortex occurs only if sea ice is reduced and sea surface temperatures are increased together. This response is delayed compared to the reanalysis. The tropospheric response during late winter is inconclusive in the model, which is potentially related to the weak and delayed response in the stratosphere. The model experiments do not reproduce the connection between early and late winter as interpreted from the reanalysis. Potentially explaining this mismatch, we identify a discrepancy of ECHAM6 to reproduce the weakening of the stratospheric polar vortex through blocking induced upward propagation of planetary waves.}, language = {en} } @article{MayerLeverPicconietal.2022, author = {Mayer, Dennis and Lever, Fabiano and Picconi, David and Metje, Jan and Ališauskas, Skirmantas and Calegari, Francesca and D{\"u}sterer, Stefan and Ehlert, Christopher and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard James and Trabattoni, Andrea and Wallner, M{\aa}ns and Saalfrank, Peter and Wolf, Thomas J. A. and G{\"u}hr, Markus}, title = {Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy}, series = {Nature Communications}, volume = {13}, journal = {Nature Communications}, publisher = {Springer Nature}, address = {Berlin}, issn = {2041-1723}, doi = {10.1038/s41467-021-27908-y}, pages = {9}, year = {2022}, abstract = {The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific site in an electronically excited molecule using time-resolved x-ray photoelectron spectroscopy (TR-XPS). We extend the concept of static chemical shift from conventional XPS by the excited-state chemical shift (ESCS), which is connected to the charge in the framework of a potential model. This allows us to invert TR-XPS spectra to the dynamic charge at a specific atom. We demonstrate the power of TR-XPS by using sulphur 2p-core-electron-emission probing to study the UV-excited dynamics of 2-thiouracil. The method allows us to discover that a major part of the population relaxes to the molecular ground state within 220-250 fs. In addition, a 250-fs oscillation, visible in the kinetic energy of the TR-XPS, reveals a coherent exchange of population among electronic states.}, language = {en} } @article{KretzschmarAshbyFearonetal.2022, author = {Kretzschmar, Mirjam E. and Ashby, Ben and Fearon, Elizabeth and Overton, Christopher E. and Panovska-Griffiths, Jasmina and Pellis, Lorenzo and Quaife, Matthew and Rozhnova, Ganna and Scarabel, Francesca and Stage, Helena B. and Swallow, Ben and Thompson, Robin N. and Tildesley, Michael J. and Villela, Daniel Campos}, title = {Challenges for modelling interventions for future pandemics}, series = {Epidemics}, volume = {38}, journal = {Epidemics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1755-4365}, doi = {10.1016/j.epidem.2022.100546}, pages = {13}, year = {2022}, abstract = {Mathematical modelling and statistical inference provide a framework to evaluate different non-pharmaceutical and pharmaceutical interventions for the control of epidemics that has been widely used during the COVID-19 pandemic. In this paper, lessons learned from this and previous epidemics are used to highlight the challenges for future pandemic control. We consider the availability and use of data, as well as the need for correct parameterisation and calibration for different model frameworks. We discuss challenges that arise in describing and distinguishing between different interventions, within different modelling structures, and allowing both within and between host dynamics. We also highlight challenges in modelling the health economic and political aspects of interventions. Given the diversity of these challenges, a broad variety of interdisciplinary expertise is needed to address them, combining mathematical knowledge with biological and social insights, and including health economics and communication skills. Addressing these challenges for the future requires strong cross disciplinary collaboration together with close communication between scientists and policy makers.}, language = {en} } @article{PetrovSingerCoughlinetal.2022, author = {Petrov, Polina and Singer, Leo P. and Coughlin, Michael W. and Kumar, Vishwesh and Almualla, Mouza and Anand, Shreya and Bulla, Mattia and Dietrich, Tim and Foucart, Francois and Guessoum, Nidhal}, title = {Data-driven expectations for electromagnetic counterpart searches based on LIGO/Virgo public alerts}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics; part 1}, volume = {924}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics; part 1}, number = {2}, publisher = {Institute of Physics Publ.}, address = {London}, issn = {1538-4357}, doi = {10.3847/1538-4357/ac366d}, pages = {10}, year = {2022}, abstract = {Searches for electromagnetic counterparts of gravitational-wave signals have redoubled since the first detection in 2017 of a binary neutron star merger with a gamma-ray burst, optical/infrared kilonova, and panchromatic afterglow. Yet, one LIGO/Virgo observing run later, there has not yet been a second, secure identification of an electromagnetic counterpart. This is not surprising given that the localization uncertainties of events in LIGO and Virgo's third observing run, O3, were much larger than predicted. We explain this by showing that improvements in data analysis that now allow LIGO/Virgo to detect weaker and hence more poorly localized events have increased the overall number of detections, of which well-localized, gold-plated events make up a smaller proportion overall. We present simulations of the next two LIGO/Virgo/KAGRA observing runs, O4 and O5, that are grounded in the statistics of O3 public alerts. To illustrate the significant impact that the updated predictions can have, we study the follow-up strategy for the Zwicky Transient Facility. Realistic and timely forecasting of gravitational-wave localization accuracy is paramount given the large commitments of telescope time and the need to prioritize which events are followed up. We include a data release of our simulated localizations as a public proposal planning resource for astronomers.}, language = {en} } @article{PerottoniLimbergAmaranteetal.2022, author = {Perottoni, H{\´e}lio D. and Limberg, Guilherme and Amarante, Jo{\~a}o A. S. and Rossi, Silvia and Queiroz, Anna B. A. and Santucci, Rafael M. and P{\´e}rez-Villegas, Angeles and Chiappini, Cristina}, title = {The unmixed debris of Gaia-Sausage/Enceladus in the form of a pair of halo stellar overdensities}, series = {Astrophysical journal letters}, volume = {936}, journal = {Astrophysical journal letters}, number = {1}, publisher = {IOP Publishing}, address = {Bristol}, issn = {2041-8213}, doi = {10.3847/2041-8213/ac88d6}, pages = {7}, year = {2022}, abstract = {In the first billion years after its formation, the galaxy underwent several mergers with dwarf satellites of various masses. The debris of Gaia-Sausage/Enceladus (GSE), the galaxy responsible for the last significant merger of the Milky Way, dominates the inner halo and has been suggested to be the progenitor of both the Hercules-Aquila Cloud (HAC) and Virgo Overdensity (VOD). We combine SEGUE, APOGEE, Gaia, and StarHorse distances to characterize the chemodynamical properties and verify the link between HAC, VOD, and GSE. We find that the orbital eccentricity distributions of the stellar overdensities and GSE are comparable. We also find that they have similar, strongly peaked, metallicity distribution functions, reinforcing the hypothesis of common origin. Furthermore, we show that HAC and VOD are indistinguishable from the prototypical GSE population within all chemical-abundance spaces analyzed. All these evidences combined provide a clear demonstration that the GSE merger is the main progenitor of the stellar populations found within these halo overdensities.}, language = {en} } @misc{CaesarRahmstorfFeulner2021, author = {Caesar, Levke and Rahmstorf, Stefan and Feulner, Georg}, title = {Reply to comment on 'On the relationship between Atlantic meridional overturning circulation slowdown and global surface warming'}, series = {Environmental research letters}, volume = {16}, journal = {Environmental research letters}, number = {3}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1748-9326}, doi = {10.1088/1748-9326/abc776}, pages = {5}, year = {2021}, abstract = {In their comment on our paper (Caesar et al 2020 Environ. Res. Lett. 15 024003), Chen and Tung (hereafter C\&T) argue that our analysis, showing that over the last decades Atlantic meridional overturning circulation (AMOC) strength and global mean surface temperature (GMST) were positively correlated, is incorrect. Their claim is mainly based on two arguments, neither of which is justified: first, C\&T claim that our analysis is based on 'established evidence' that was only true for preindustrial conditions-this is not the case. Using data from the modern period (1947-2012), we show that the established understanding (i.e. deep-water formation in the North Atlantic cools the deep ocean and warms the surface) is correct, but our analysis is not based on this fact. Secondly, C\&T claim that our results are based on a statistical analysis of only one cycle of data which was furthermore incorrectly detrended. This, too, is not true. Our conclusion that a weaker AMOC delays the current surface warming rather than enhances it, is based on several independent lines of evidence. The data we show to support this covers more than one cycle and the detrending (which was performed to avoid spurious correlations due to a common trend) does not affect our conclusion: the correlation between AMOC strength and GMST is positive. We do not claim that this is strong evidence that the two time series are in phase, but rather that this means that the two time series are not anti-correlated.}, language = {en} } @article{KupferBauervanRoesteletal.2022, author = {Kupfer, Thomas and Bauer, Evan B. and van Roestel, Jan and Bellm, Eric C. and Bildsten, Lars and Fuller, Jim and Prince, Thomas A. and Heber, Ulrich and Geier, Stephan and Green, Matthew J. and Kulkarni, Shrinivas R. and Bloemen, Steven and Laher, Russ R. and Rusholme, Ben and Schneider, David}, title = {Discovery of a Double-detonation Thermonuclear Supernova Progenitor}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics ; Part 2, Letters}, volume = {925}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics ; Part 2, Letters}, number = {2}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {2041-8205}, doi = {10.3847/2041-8213/ac48f1}, pages = {10}, year = {2022}, abstract = {We present the discovery of a new double-detonation progenitor system consisting of a hot subdwarf B (sdB) binary with a white dwarf companion with a P (orb) = 76.34179(2) minutes orbital period. Spectroscopic observations are consistent with an sdB star during helium core burning residing on the extreme horizontal branch. Chimera light curves are dominated by ellipsoidal deformation of the sdB star and a weak eclipse of the companion white dwarf. Combining spectroscopic and light curve fits, we find a low-mass sdB star, M (sdB) = 0.383 +/- 0.028 M (circle dot) with a massive white dwarf companion, M (WD) = 0.725 +/- 0.026 M (circle dot). From the eclipses we find a blackbody temperature for the white dwarf of 26,800 K resulting in a cooling age of approximate to 25 Myr whereas our MESA model predicts an sdB age of approximate to 170 Myr. We conclude that the sdB formed first through stable mass transfer followed by a common envelope which led to the formation of the white dwarf companion approximate to 25 Myr ago. Using the MESA stellar evolutionary code we find that the sdB star will start mass transfer in approximate to 6 Myr and in approximate to 60 Myr the white dwarf will reach a total mass of 0.92 M (circle dot) with a thick helium layer of 0.17 M (circle dot). This will lead to a detonation that will likely destroy the white dwarf in a peculiar thermonuclear supernova. PTF1 J2238+7430 is only the second confirmed candidate for a double-detonation thermonuclear supernova. Using both systems we estimate that at least approximate to 1\% of white dwarf thermonuclear supernovae originate from sdB+WD binaries with thick helium layers, consistent with the small number of observed peculiar thermonuclear explosions.}, language = {en} } @article{KoehlerHandorfJaiseretal.2021, author = {K{\"o}hler, Raphael H. and Handorf, D{\"o}rthe and Jaiser, Ralf and Dethloff, Klaus and Z{\"a}ngl, G{\"u}nther and Majewski, Detlev and Rex, Markus}, title = {Improved circulation in the Northern hemisphere by adjusting gravity wave drag parameterizations in seasonal experiments with ICON-NWP}, series = {Earth and Space Science : ESS}, volume = {8}, journal = {Earth and Space Science : ESS}, number = {3}, publisher = {American Geophysical Union}, address = {Malden, Mass.}, issn = {2333-5084}, doi = {10.1029/2021EA001676}, pages = {15}, year = {2021}, abstract = {The stratosphere is one of the main potential sources for subseasonal to seasonal predictability in midlatitudes in winter. The ability of an atmospheric model to realistically simulate the stratospheric dynamics is essential in order to move forward in the field of seasonal predictions in midlatitudes. Earlier studies with the ICOsahedral Nonhydrostatic atmospheric model (ICON) point out that stratospheric westerlies in ICON are underestimated. This is the first extensive study on the evaluation of Northern Hemisphere stratospheric winter circulation with ICON in numerical weather prediction (NWP) mode. Seasonal experiments with the default setup are able to reproduce the basic climatology of the stratospheric polar vortex. However, westerlies are too weak and major stratospheric warmings too frequent in ICON. Both a reduction of the nonorographic, and a reduction of the orographic gravity wave and wake drag lead to a strengthening of the stratospheric vortex and a bias reduction, in particular in January. However, the effect of the nonorographic gravity wave drag scheme on the stratosphere is stronger. Stratosphere-troposphere coupling is intensified and more realistic due to a reduced gravity wave drag. Furthermore, an adjustment of the subgrid-scale orographic drag parameterization leads to a significant error reduction in the mean sea level pressure. As a result of these findings, we present our current suggested improved setup for seasonal experiments with ICON-NWP.
Plain Language Summary Although seasonal forecasts for midlatitudes have the potential to be highly beneficial to the public sector, they are still characterized by a large amount of uncertainty. Exact simulations of the circulation in the stratosphere can help to improve tropospheric predictability on seasonal time scales. For this reason, we investigate how well the new German atmospheric model is able to simulate the stratospheric circulation. The model reproduces the basic behavior of the Northern Hemisphere stratospheric polar vortex, but the westerly circulation in winter is underestimated. The stratospheric circulation is influenced by gravity waves that exert drag on the flow. These processes are only partly physically represented in the model, but are very important and are hence parameterized. By adjusting the parameterizations for the gravity wave drag, the stratospheric polar vortex is strengthened, thereby yielding a more realistic stratospheric circulation. In addition, the altered parameterizations improve the simulated surface pressure pattern. Based upon this, we present our current suggested improved model setup for seasonal experiments.}, language = {en} } @article{RomanowskyHandorfJaiseretal.2019, author = {Romanowsky, Erik and Handorf, D{\"o}rthe and Jaiser, Ralf and Wohltmann, Ingo and Dorn, Wolfgang and Ukita, Jinro and Cohen, Judah and Dethloff, Klaus and Rex, Markus}, title = {The role of stratospheric ozone for Arctic-midlatitude linkages}, series = {Scientific reports}, volume = {9}, journal = {Scientific reports}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-019-43823-1}, pages = {7}, year = {2019}, abstract = {Arctic warming was more pronounced than warming in midlatitudes in the last decades making this region a hotspot of climate change. Associated with this, a rapid decline of sea-ice extent and a decrease of its thickness has been observed. Sea-ice retreat allows for an increased transport of heat and momentum from the ocean up to the tropo- and stratosphere by enhanced upward propagation of planetary-scale atmospheric waves. In the upper atmosphere, these waves deposit the momentum transported, disturbing the stratospheric polar vortex, which can lead to a breakdown of this circulation with the potential to also significantly impact the troposphere in mid- to late-winter and early spring. Therefore, an accurate representation of stratospheric processes in climate models is necessary to improve the understanding of the impact of retreating sea ice on the atmospheric circulation. By modeling the atmospheric response to a prescribed decline in Arctic sea ice, we show that including interactive stratospheric ozone chemistry in atmospheric model calculations leads to an improvement in tropo-stratospheric interactions compared to simulations without interactive chemistry. This suggests that stratospheric ozone chemistry is important for the understanding of sea ice related impacts on atmospheric dynamics.}, language = {en} } @article{GrasslRitterSchulz2022, author = {Grassl, Sandra and Ritter, Christoph and Schulz, Alexander}, title = {The nature of the Ny-Alesund wind field analysed by high-resolution windlidar data}, series = {Remote sensing}, volume = {14}, journal = {Remote sensing}, number = {15}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs14153771}, pages = {24}, year = {2022}, abstract = {In this work we present windlidar data for the research village Ny-Alesund located on Svalbard in the European Arctic (78.923 degrees N, 11.928 degrees F) from 2013 to 2021. The data have a resolution of 50 m and 10 min with an overlapping height of about 150 m. The maximum range depends on the meteorologic situation. Up to 1000 m altitude the data availability is better than 71\%. We found that the highest wind speeds occur in November and December, the lowest ones in June and July, up to 500 m altitude the wind is channelled strongly in ESE to NW direction parallel to the fjord axis and the synoptic conditions above 1000 m altitude already dominate. While the fraction of windy days (v > 10 m/s) varies significantly from month to month, there is no overall trend of the wind visible in our data set. We define gusts and jets by the requirement of wind maxima v > 2 m/s above and below a wind maximum. In total, more than 24,000 of these events were identified (corresponding to 6\% of the time), of which 223 lasted for at least 100 min ("Long Jets"). All of these events are fairly equally distributed over the months relatively to the available data. Further, gusts and jets follow different distributions (in terms of altitude or depths) and occur more frequently for synoptic flow from roughly a southerly direction. Jets do not show a clear correlation between occurrence and synoptic flow. Gusts and jets are not related to cloud cover. We conclude that the atmosphere from 400 m to 1000 m above Ny-Alesund is dominated by a turbulent wind shear zone, which connects the micrometeorology in the atmospheric boundary layer (ABL) with the synoptic flow.}, language = {en} } @article{SorgenfreiGiangrisostomiKuehnetal.2022, author = {Sorgenfrei, Nomi and Giangrisostomi, Erika and K{\"u}hn, Danilo and Ovsyannikov, Ruslan and F{\"o}hlisch, Alexander}, title = {Time and angle-resolved time-of-flight electron spectroscopy for functional materials science}, series = {Molecules : a journal of synthetic chemistry and natural product chemistry}, volume = {27}, journal = {Molecules : a journal of synthetic chemistry and natural product chemistry}, number = {24}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules27248833}, pages = {14}, year = {2022}, abstract = {Electron spectroscopy with the unprecedented transmission of angle-resolved time-of-flight detection, in combination with pulsed X-ray sources, brings new impetus to functional materials science. We showcase recent developments towards chemical sensitivity from electron spectroscopy for chemical analysis and structural information from photoelectron diffraction using the phase transition properties of 1T-TaS2. Our development platform is the SurfaceDynamics instrument located at the Femtoslicing facility at BESSY II, where femtosecond and picosecond X-ray pulses can be generated and extracted. The scientific potential is put into perspective to the current rapidly developing pulsed X-ray source capabilities from Lasers and Free-Electron Lasers.}, language = {en} } @article{LeverMayerMetjeetal.2021, author = {Lever, Fabiano and Mayer, Dennis and Metje, Jan and Alisauskas, Skirmantas and Calegari, Francesca and D{\"u}sterer, Stefan and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard J. and Trabattoni, Andrea and Wallner, M{\aa}ns and Wolf, Thomas J. A. and G{\"u}hr, Markus}, title = {Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser}, series = {Molecules}, volume = {26}, journal = {Molecules}, number = {21}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules26216469}, pages = {11}, year = {2021}, abstract = {In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster-Kronig and Auger-Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.}, language = {en} } @article{SavchenkoLomadzeSanteretal.2022, author = {Savchenko, Vladyslav and Lomadze, Nino and Santer, Svetlana and Guskova, Olga}, title = {Spiropyran/merocyanine amphiphile in various solvents}, series = {International journal of molecular sciences}, volume = {23}, journal = {International journal of molecular sciences}, number = {19}, publisher = {MDPI}, address = {Basel}, issn = {1422-0067}, doi = {10.3390/ijms231911535}, pages = {24}, year = {2022}, abstract = {This joint experimental-theoretical work focuses on molecular and photophysical properties of the spiropyran-containing amphiphilic molecule in organic and aqueous solutions. Being dissolved in tested organic solvents, the system demonstrates positive photochromism, i.e., upon UV stimulus the colorless spiropyran form is transformed into colorful merocyanine isomer. However, the aqueous solution of the amphiphile possesses a negative photochromism: the orange-red merocyanine form becomes thermodynamically more stable in water, and both UV and vis stimuli lead to the partial or complete photobleaching of the solution. The explanation of this phenomenon is given on the basis of density functional theory calculations and classical modeling including thermodynamic integration. The simulations reveal that stabilization of merocyanine in water proceeds with the energy of ca. 70 kJ mol-1, and that the Helmholtz free energy of hydration of merocyanine form is 100 kJ mol-1 lower as compared to the behavior of SP isomer in water. The explanation of such a difference lies in the molecular properties of the merocyanine: after ring-opening reaction this molecule transforms into a zwitterionic form, as evidenced by the electrostatic potential plotted around the opened form. The presence of three charged groups on the periphery of a flat conjugated backbone stimulates the self-assembly of merocyanine molecules in water, ending up with the formation of elongated associates with stack-like building blocks, as shown in molecular dynamics simulations of the aqueous solution with the concentration above critical micelle concentration. Our quantitative evaluation of the hydrophilicity switching in spiropyran/merocyanine containing surfactants may prompt the search for new systems, including colloidal and polymeric ones, aiming at remote tuning of their morphology, which could give new promising shapes and patterns for the needs of modern nanotechnology.}, language = {en} } @article{PauzonMishurovaFischeretal.2022, author = {Pauzon, Camille and Mishurova, Tatiana and Fischer, Marie and Ahlstr{\"o}m, Johan and Fritsch, Tilman and Bruno, Giovanni and Hryha, Eduard}, title = {Impact of contour scanning and helium-rich process gas on performances of Alloy 718 lattices produced by laser powder bed fusion}, series = {Materials \& Design}, volume = {215}, journal = {Materials \& Design}, publisher = {Elsevier}, address = {Oxford}, issn = {0264-1275}, doi = {10.1016/j.matdes.2022.110501}, pages = {12}, year = {2022}, abstract = {Contour scanning and process gas type are process parameters typically considered achieving second order effects compared to first order factors such as laser power and scanning speed. The present work highlights that contour scanning is crucial to ensure geometrical accuracy and thereby the high performance under uniaxial compression of complex Alloy 718 lattice structures. Studies of X-ray computed tomography visualizations of as-built and compression-strained structures reveal the continuous and smooth bending and compression of the walls, and the earlier onset of internal contact appearance in the denser lattices printed with contour. In contrast, the effect of addition of He to the Ar process gas appears to have limited influence on the mechanical response of the lattices and their microstructure as characterized by electron backscattered diffraction. However, the addition of He proved to significantly enhance the cooling rate and to reduce the amount of the generated spatters as evidenced by in situ monitoring of the process emissions, which is very promising for the process stability and powder reusability during laser powder bed fusion.}, language = {en} } @article{JonesWiesner2022, author = {Jones, Chris and Wiesner, Karoline}, title = {Clarifying how degree entropies and degree-degree correlations relate to network robustness}, series = {Entropy : an international and interdisciplinary journal of entropy and information studies}, volume = {24}, journal = {Entropy : an international and interdisciplinary journal of entropy and information studies}, number = {9}, publisher = {MDPI}, address = {Basel}, issn = {1099-4300}, doi = {10.3390/e24091182}, pages = {13}, year = {2022}, abstract = {It is often claimed that the entropy of a network's degree distribution is a proxy for its robustness. Here, we clarify the link between degree distribution entropy and giant component robustness to node removal by showing that the former merely sets a lower bound to the latter for randomly configured networks when no other network characteristics are specified. Furthermore, we show that, for networks of fixed expected degree that follow degree distributions of the same form, the degree distribution entropy is not indicative of robustness. By contrast, we show that the remaining degree entropy and robustness have a positive monotonic relationship and give an analytic expression for the remaining degree entropy of the log-normal distribution. We also show that degree-degree correlations are not by themselves indicative of a network's robustness for real networks. We propose an adjustment to how mutual information is measured which better encapsulates structural properties related to robustness.}, language = {en} } @article{StechemesserLevermannWenz2022, author = {Stechemesser, Annika and Levermann, Anders and Wenz, Leonie}, title = {Temperature impacts on hate speech online: evidence from 4 billion geolocated tweets from the USA}, series = {The lancet. Planetary health}, volume = {6}, journal = {The lancet. Planetary health}, number = {9}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2542-5196}, doi = {10.1016/S2542-5196(22)00173-5}, pages = {E714 -- E725}, year = {2022}, abstract = {Background - A link between weather and aggression in the offline world has been established across a variety of societal settings. Simultaneously, the rapid digitalisation of nearly every aspect of everyday life has led to a high frequency of interpersonal conflicts online. Hate speech online has become a prevalent problem that has been shown to aggravate mental health conditions, especially among young people and marginalised groups. We examine the effect of temperature on the occurrence of hate speech on the social media platform Twitter and interpret the results in the context of the interlinkage between climate change, human behaviour, and mental health. Methods - In this quantitative empirical study, we used a supervised machine learning approach to identify hate speech in a dataset containing around 4 billion geolocated tweets from 773 cities across the USA between May 1, 2014 and May 1, 2020. We statistically evaluated the changes in daily hate tweets against changes in local temperature, isolating the temperature influence from confounding factors using binned panel-regression models. Findings - The prevalence of hate tweets was lowest at moderate temperatures (12 to 21?) and marked increases in the number of hate tweets were observed at hotter and colder temperatures, reaching up to 12middot5\% (95\% CI 8middot0-16middot5) for cold temperature extremes (-6 to -3?) and up to 22middot0\% (95\% CI 20middot5-23middot5) for hot temperature extremes (42 to 45?). Outside of the moderate temperature range, the hate tweets also increased as a proportion of total tweeting activity. The quasi-quadratic shape of the temperature-hate tweet curve was robust across varying climate zones, income quartiles, religious and political beliefs, and both city-level and state-level aggregations. However, temperature ranges with the lowest prevalence of hate tweets were centred around the local temperature mean and the magnitude of the increases in hate tweets for hot and cold temperatures varied across the climate zones. Interpretation - Our results highlight hate speech online as a potential channel through which temperature alters interpersonal conflict and societal aggression. We provide empirical evidence that hot and cold temperatures can aggravate aggressive tendencies online. The prevalence of the results across climatic and socioeconomic subgroups points to limitations in the ability of humans to adapt to temperature extremes.}, language = {en} } @misc{AransonPikovskijTsimring2021, author = {Aranson, Igor S. and Pikovskij, Arkadij and Tsimring, Lev S.}, title = {К 80-летию Михаила Израилевича Рабиновича}, series = {Izvestija vysšich učebnych zavedenij : naučno-techničeskij žurnal = Izvestiya VUZ. Prikladnaja nelinejnaja dinamika = Applied nonlinear dynamics}, volume = {29}, journal = {Izvestija vysšich učebnych zavedenij : naučno-techničeskij žurnal = Izvestiya VUZ. Prikladnaja nelinejnaja dinamika = Applied nonlinear dynamics}, number = {2}, publisher = {Saratov State University}, address = {Saratov}, issn = {0869-6632}, doi = {10.18500/0869-6632-2021-29-2-217-219}, pages = {217 -- 219}, year = {2021}, language = {ru} }