@article{StolterfohtGrischekCaprioglioetal.2020, author = {Stolterfoht, Martin and Grischek, Max and Caprioglio, Pietro and Wolff, Christian Michael and Gutierrez-Partida, Emilio and Pe{\~n}a-Camargo, Francisco and Rothhardt, Daniel and Zhang, Shanshan and Raoufi, Meysam and Wolansky, Jakob and Abdi-Jalebi, Mojtaba and Stranks, Samuel D. and Albrecht, Steve and Kirchartz, Thomas and Neher, Dieter}, title = {How to quantify the efficiency potential of neat perovskite films}, series = {Advanced Materials}, volume = {32}, journal = {Advanced Materials}, number = {17}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0935-9648}, doi = {10.1002/adma.202000080}, pages = {1 -- 10}, year = {2020}, abstract = {Perovskite photovoltaic (PV) cells have demonstrated power conversion efficiencies (PCE) that are close to those of monocrystalline silicon cells; however, in contrast to silicon PV, perovskites are not limited by Auger recombination under 1-sun illumination. Nevertheless, compared to GaAs and monocrystalline silicon PV, perovskite cells have significantly lower fill factors due to a combination of resistive and non-radiative recombination losses. This necessitates a deeper understanding of the underlying loss mechanisms and in particular the ideality factor of the cell. By measuring the intensity dependence of the external open-circuit voltage and the internal quasi-Fermi level splitting (QFLS), the transport resistance-free efficiency of the complete cell as well as the efficiency potential of any neat perovskite film with or without attached transport layers are quantified. Moreover, intensity-dependent QFLS measurements on different perovskite compositions allows for disentangling of the impact of the interfaces and the perovskite surface on the non-radiative fill factor and open-circuit voltage loss. It is found that potassium-passivated triple cation perovskite films stand out by their exceptionally high implied PCEs > 28\%, which could be achieved with ideal transport layers. Finally, strategies are presented to reduce both the ideality factor and transport losses to push the efficiency to the thermodynamic limit.}, language = {en} } @article{MohammadyAuffevesAnders2020, author = {Mohammady, M. Hamed and Auff{\`e}ves, Alexia and Anders, Janet}, title = {Energetic footprints of irreversibility in the quantum regime}, series = {Communications Physics}, volume = {3}, journal = {Communications Physics}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2399-3650}, doi = {10.1038/s42005-020-0356-9}, pages = {1 -- 14}, year = {2020}, abstract = {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.}, language = {en} } @article{HortonKhanCahilletal.2020, author = {Horton, Benjamin P. and Khan, Nicole S. and Cahill, Niamh and Lee, Janice S. H. and Shaw, Timothy A. and Garner, Andra J. and Kemp, Andrew C. and Engelhart, Simon E. and Rahmstorf, Stefan}, title = {Estimating global mean sea-level rise and its uncertainties by 2100 and 2300 from an expert survey}, series = {npj Climate and Atmospheric Science}, volume = {3}, journal = {npj Climate and Atmospheric Science}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2397-3722}, doi = {10.1038/s41612-020-0121-5}, pages = {1 -- 8}, year = {2020}, abstract = {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.}, language = {en} } @article{CherstvySafdariMetzler2021, author = {Cherstvy, Andrey G. and Safdari, Hadiseh and Metzler, Ralf}, title = {Anomalous diffusion, nonergodicity, and ageing for exponentially and logarithmically time-dependent diffusivity}, series = {Journal of physics. D, Applied physics}, volume = {54}, journal = {Journal of physics. D, Applied physics}, number = {19}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0022-3727}, doi = {10.1088/1361-6463/abdff0}, pages = {18}, year = {2021}, abstract = {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.}, language = {en} } @article{GiegSchianchiDietrichetal.2022, author = {Gieg, Henrique and Schianchi, Federico and Dietrich, Tim and Ujevic, Maximiliano}, title = {Incorporating a Radiative Hydrodynamics Scheme in the Numerical-Relativity Code BAM}, series = {Universe : open access journal}, volume = {8}, journal = {Universe : open access journal}, number = {7}, publisher = {MDPI}, address = {Basel}, issn = {2218-1997}, doi = {10.3390/universe8070370}, pages = {25}, year = {2022}, abstract = {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.}, language = {en} } @article{LetellierAbrahamShepelyanskyetal.2021, author = {Letellier, Christophe and Abraham, Ralph and Shepelyansky, Dima L. and Rossler, Otto E. and Holmes, Philip and Lozi, Rene and Glass, Leon and Pikovsky, Arkady and Olsen, Lars F. and Tsuda, Ichiro and Grebogi, Celso and Parlitz, Ulrich and Gilmore, Robert and Pecora, Louis M. and Carroll, Thomas L.}, title = {Some elements for a history of the dynamical systems theory}, series = {Chaos : an interdisciplinary journal of nonlinear science}, volume = {31}, journal = {Chaos : an interdisciplinary journal of nonlinear science}, number = {5}, publisher = {AIP Publishing}, address = {Melville}, issn = {1054-1500}, doi = {10.1063/5.0047851}, pages = {20}, year = {2021}, abstract = {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.}, language = {en} } @article{ManiKupschMuelleretal.2022, author = {Mani, Deepak and Kupsch, Andreas and M{\"u}ller, Bernd R. and Bruno, Giovanni}, title = {Diffraction Enhanced Imaging Analysis with Pseudo-Voigt Fit Function}, series = {Journal of imaging : open access journal}, volume = {8}, journal = {Journal of imaging : open access journal}, number = {8}, publisher = {MDPI}, address = {Basel}, issn = {2313-433X}, doi = {10.3390/jimaging8080206}, pages = {13}, year = {2022}, abstract = {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.}, language = {en} } @article{MeyerVelazquezPetruketal.2022, author = {Meyer, Dominique M.-A. and Velazquez, Pablo F. and Petruk, Oleh and Chiotellis, Alexandros and Pohl, Martin and Camps-Farina, Artemi and Petrov, Miroslav and Reynoso, Estela M. and Toledo-Roy, Juan C. and Schneiter, E. Matias and Castellanos-Ramirez, Antonio and Esquivel, Alejandro}, title = {Rectangular core-collapse supernova remnants}, series = {Monthly notices of the Royal Astronomical Society}, volume = {515}, journal = {Monthly notices of the Royal Astronomical Society}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stac1832}, pages = {594 -- 605}, year = {2022}, abstract = {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.}, language = {en} } @article{NedoraRadiceBernuzzietal.2021, author = {Nedora, Vsevolod and Radice, David and Bernuzzi, Sebastiano and Perego, Albino and Daszuta, Boris and Endrizzi, Andrea and Prakash, Aviral and Schianchi, Federico}, title = {Dynamical ejecta synchrotron emission as a possible contributor to the changing behaviour of GRB170817A afterglow}, series = {Monthly notices of the Royal Astronomical Society}, volume = {506}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stab2004}, pages = {5908 -- 5915}, year = {2021}, abstract = {Over the past 3 yr, the fading non-thermal emission from the GW170817 remained generally consistent with the afterglow powered by synchrotron radiation produced by the interaction of the structured jet with the ambient medium. Recent observations by Hajela et al. indicate the change in temporal and spectral behaviour in the X-ray band. We show that the new observations are compatible with the emergence of a new component due to non-thermal emission from the fast tail of the dynamical ejecta of ab-initio binary neutron star merger simulations. This provides a new avenue to constrain binary parameters. Specifically, we find that equal mass models with soft equations of state (EOSs) and high-mass ratio models with stiff EOSs are disfavoured as they typically predict afterglows that peak too early to explain the recent observations. Moderate stiffness and mass ratio models, instead, tend to be in good overall agreement with the data.}, language = {en} } @article{HornemannEichertHoehletal.2022, author = {Hornemann, Andrea and Eichert, Diane Madeleine and Hoehl, Arne and Tiersch, Brigitte and Ulm, Gerhard and Ryadnov, Maxim G. and Beckhoff, Burkhard}, title = {Investigating Membrane-Mediated Antimicrobial Peptide Interactions with Synchrotron Radiation Far-Infrared Spectroscopy}, series = {ChemPhysChem : a European journal of chemical physics and physical chemistry}, volume = {23}, journal = {ChemPhysChem : a European journal of chemical physics and physical chemistry}, number = {4}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1439-4235}, doi = {10.1002/cphc.202100815}, pages = {11}, year = {2022}, abstract = {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.}, language = {en} }