TY - JOUR A1 - Mayer, Dennis A1 - Picconi, David A1 - Robinson, Matthew S. A1 - Gühr, Markus T1 - Experimental and theoretical gas-phase absorption spectra of thionated uracils JF - Chemical physics : a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature N2 - 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. KW - Thiouracil KW - Uracil KW - UV-VIS Spectroscopy KW - Excited-state calculations; KW - TD-DFT KW - Gas phase Y1 - 2022 U6 - https://doi.org/10.1016/j.chemphys.2022.111500 SN - 0301-0104 VL - 558 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Serrano-Munoz, Itziar A1 - Fernández Serrano, Ricardo A1 - Saliwan-Neumann, Romeo A1 - Gonzalez-Doncel, Gaspar A1 - Bruno, Giovanni T1 - Dislocation substructures in pure aluminium after creep deformation as studied by electron backscatter diffraction JF - Journal of applied crystallography / International Union of Crystallography N2 - In the present work, electron backscatter diffraction was used to determine the microscopic dislocation structures generated during creep (with tests interrupted at the steady state) in pure 99.8% aluminium. This material was investigated at two different stress levels, corresponding to the power-law and power-law breakdown regimes. The results show that the formation of subgrain cellular structures occurs independently of the crystallographic orientation. However, the density of these cellular structures strongly depends on the grain crystallographic orientation with respect to the tensile axis direction, with (111) grains exhibiting the highest densities at both stress levels. It is proposed that this behaviour is due to the influence of intergranular stresses, which is different in (111) and (001) grains. KW - creep KW - pure aluminium KW - electron backscatter diffraction (EBSD) KW - cellular KW - structures KW - power law and power-law breakdown Y1 - 2022 U6 - https://doi.org/10.1107/S1600576722005209 SN - 1600-5767 VL - 55 SP - 860 EP - 869 PB - Munksgaard CY - Copenhagen ER - TY - JOUR A1 - Gupta, Banshi D. A1 - Pathak, Anisha A1 - Shrivastav, Anand T1 - Optical Biomedical Diagnostics Using Lab-on-Fiber Technology BT - a review JF - Photonics : open access journal N2 - Point-of-care and in-vivo bio-diagnostic tools are the current need for the present critical scenarios in the healthcare industry. The past few decades have seen a surge in research activities related to solving the challenges associated with precise on-site bio-sensing. Cutting-edge fiber optic technology enables the interaction of light with functionalized fiber surfaces at remote locations to develop a novel, miniaturized and cost-effective lab on fiber technology for bio-sensing applications. The recent remarkable developments in the field of nanotechnology provide innumerable functionalization methodologies to develop selective bio-recognition elements for label free biosensors. These exceptional methods may be easily integrated with fiber surfaces to provide highly selective light-matter interaction depending on various transduction mechanisms. In the present review, an overview of optical fiber-based biosensors has been provided with focus on physical principles used, along with the functionalization protocols for the detection of various biological analytes to diagnose the disease. The design and performance of these biosensors in terms of operating range, selectivity, response time and limit of detection have been discussed. In the concluding remarks, the challenges associated with these biosensors and the improvement required to develop handheld devices to enable direct target detection have been highlighted. KW - fiber optic sensors KW - synthesis KW - interferometry KW - fluorescence KW - SERS KW - SPR KW - immunosensors KW - enzymatic sensors KW - molecular imprinted polymers Y1 - 2022 U6 - https://doi.org/10.3390/photonics9020086 SN - 2304-6732 VL - 9 IS - 2 PB - MDPI CY - Basel ER - TY - JOUR A1 - Kotz, Maximilian A1 - Levermann, Anders A1 - Wenz, Leonie T1 - The effect of rainfall changes on economic production JF - Nature : the international journal of science N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1038/s41586-021-04283-8 SN - 0028-0836 SN - 1476-4687 VL - 601 IS - 7892 SP - 223 EP - 227 PB - Macmillan Publishers Limited, part of Springer Nature CY - London ER - TY - JOUR A1 - Steigert, Alexander A1 - Kojda, Sandrino Danny A1 - Ibaceta-Jaña, Josefa Fernanda A1 - Abou-Ras, Daniel A1 - Gunder, René A1 - Alktash, Nivin A1 - Habicht, Klaus A1 - Wagner, Markus Raphael A1 - Klenk, Reiner A1 - Raoux, Simone A1 - Szyszka, Bernd A1 - Lauermann, Iver A1 - Muydinov, Ruslan T1 - Water-assisted crystallization of amorphous indium zinc oxide films JF - Materials today. Communications N2 - 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. KW - IZO KW - Thin films KW - TCOs KW - Crystallization KW - Water-assisted crystallization Y1 - 2022 U6 - https://doi.org/10.1016/j.mtcomm.2022.103213 SN - 2352-4928 VL - 31 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gieg, Henrique A1 - Schianchi, Federico A1 - Dietrich, Tim A1 - Ujevic, Maximiliano T1 - Incorporating a Radiative Hydrodynamics Scheme in the Numerical-Relativity Code BAM JF - Universe : open access journal N2 - 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. KW - numerical relativity KW - binary neutron stars KW - neutrinos KW - leakage scheme Y1 - 2022 U6 - https://doi.org/10.3390/universe8070370 SN - 2218-1997 VL - 8 IS - 7 PB - MDPI CY - Basel ER - TY - JOUR A1 - Mani, Deepak A1 - Kupsch, Andreas A1 - Müller, Bernd R. A1 - Bruno, Giovanni T1 - Diffraction Enhanced Imaging Analysis with Pseudo-Voigt Fit Function JF - Journal of imaging : open access journal N2 - 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. KW - diffraction enhanced imaging KW - analyzer-based imaging KW - X-ray refraction; KW - non-destructive evaluation KW - Pseudo-Voigt fit function KW - Python Y1 - 2022 U6 - https://doi.org/10.3390/jimaging8080206 SN - 2313-433X VL - 8 IS - 8 PB - MDPI CY - Basel ER - TY - JOUR A1 - Meyer, Dominique M.-A. A1 - Velazquez, Pablo F. A1 - Petruk, Oleh A1 - Chiotellis, Alexandros A1 - Pohl, Martin A1 - Camps-Farina, Artemi A1 - Petrov, Miroslav A1 - Reynoso, Estela M. A1 - Toledo-Roy, Juan C. A1 - Schneiter, E. Matias A1 - Castellanos-Ramirez, Antonio A1 - Esquivel, Alejandro T1 - Rectangular core-collapse supernova remnants BT - application to Puppis A JF - Monthly notices of the Royal Astronomical Society N2 - 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. KW - stars: evolution KW - stars: massive KW - ISM: supernova remnants KW - methods: MHD Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac1832 SN - 0035-8711 SN - 1365-2966 VL - 515 IS - 1 SP - 594 EP - 605 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Hornemann, Andrea A1 - Eichert, Diane Madeleine A1 - Hoehl, Arne A1 - Tiersch, Brigitte A1 - Ulm, Gerhard A1 - Ryadnov, Maxim G. A1 - Beckhoff, Burkhard T1 - Investigating Membrane-Mediated Antimicrobial Peptide Interactions with Synchrotron Radiation Far-Infrared Spectroscopy JF - ChemPhysChem : a European journal of chemical physics and physical chemistry N2 - 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. KW - antimicrobial peptides KW - electrostatic interactions KW - IR spectroscopy KW - phospholipid membranes KW - protein folding Y1 - 2022 U6 - https://doi.org/10.1002/cphc.202100815 SN - 1439-4235 SN - 1439-7641 VL - 23 IS - 4 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Toalá, Jesús Alberto A1 - Bowman, Dominic A1 - Van Reeth, Timothy A1 - Todt, Helge Tobias A1 - Dsilva, Karan A1 - Shenar, Tomer A1 - Koenigsberger, Gloria Suzanne A1 - Estrada-Dorado, Sandino A1 - Oskinova, Lida A1 - Hamann, Wolf-Rainer T1 - Multiple variability time-scales of the early nitrogen-rich Wolf-Rayet star WR 7 JF - Monthly notices of the Royal Astronomical Society N2 - 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. KW - stars: atmospheres KW - stars: evolution KW - stars: individual: WR 7 KW - stars: winds KW - outflows KW - stars: Wolft-Rayet Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac1455 SN - 0035-8711 SN - 1365-2966 VL - 514 IS - 2 SP - 2269 EP - 2277 PB - Oxford University Press CY - Oxford ER - TY - JOUR A1 - Zaragoza-Cardiel, Javier A1 - Gómez-González, Víctor Mauricio Alfonso A1 - Mayya, Yalia Divakara A1 - Ramos-Larios, Gerardo T1 - Nebular abundance gradient in the Cartwheel galaxy using MUSE data JF - Monthly notices of the Royal Astronomical Society N2 - 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. KW - galaxies: star clusters KW - galaxies: individual KW - galaxies: abundances Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac1423 SN - 0035-8711 SN - 1365-2966 VL - 514 IS - 2 SP - 1689 EP - 1705 PB - Oxford University Press CY - Oxford ER - TY - JOUR A1 - Meyer, Philipp A1 - Aghion, Erez A1 - Kantz, Holger T1 - Decomposing the effect of anomalous diffusion enables direct calculation of the Hurst exponent and model classification for single random paths JF - Journal of physics / Institute of Physics. A, Mathematical, nuclear and general N2 - 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. KW - time-series analysis KW - decomposing anomalous diffusion KW - anomalous KW - diffusion exponent KW - process inference Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac72d4 SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 27 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Bolotov, Dmitry A1 - Bolotov, Maxim I. A1 - Smirnov, Lev A. A1 - Osipov, Grigory V. A1 - Pikovsky, Arkady T1 - Synchronization regimes in an ensemble of phase oscillators coupled through a diffusion field JF - Radiophysics and quantum electronics N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1007/s11141-022-10173-4 SN - 0033-8443 SN - 1573-9120 VL - 64 IS - 10 SP - 709 EP - 725 PB - Springer CY - New York ER - TY - JOUR A1 - Morris, Paul J. A1 - Bohdan, Artem A1 - Weidl, Martin S. A1 - Pohl, Martin T1 - Preacceleration in the Electron Foreshock. I. Electron Acoustic Waves JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - 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. Y1 - 2022 U6 - https://doi.org/10.3847/1538-4357/ac69c7 SN - 0004-637X SN - 1538-4357 VL - 931 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Dineva, Ekaterina Ivanova A1 - Pearson, Jeniveve A1 - Ilyin, Ilya A1 - Verma, Meetu A1 - Diercke, Andrea A1 - Strassmeier, Klaus A1 - Denker, Carsten T1 - Characterization of chromospheric activity based on Sun-as-a-star spectral and disk-resolved activity indices JF - Astronomische Nachrichten = Astronomical notes N2 - 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. KW - astronomical databases KW - miscellaneous KW - methods KW - data analysis KW - activity KW - Sun KW - atmosphere KW - chromosphere KW - techniques KW - spectroscopic Y1 - 2022 U6 - https://doi.org/10.1002/asna.20223996 SN - 0004-6337 SN - 1521-3994 VL - 343 IS - 5 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Deb, Marwan A1 - Molho, Pierre A1 - Barbara, Bernard T1 - Magnetic damping of ferromagnetic and exchange resonance modes in a ferrimagnetic insulator JF - Physical review : B, Condensed matter and materials physics N2 - Understanding the damping is an important fundamental problem with widespread implications in magnetic technology. Ferrimagnetic materials offer a rich platform to explore not only the damping of the ferromagnetic mode, but also the damping of the high-frequency exchange mode very promising for ultrafast devices. Here we use time-resolved magneto-optical Kerr effect to investigate the ferromagnetic and exchange resonance modes and their damping in the bismuth-doped gadolinium iron garnet over a broad range of magnetic fields (0-10 T) and temperatures (50-300 K) including the magnetization and angular compensation points. These two resonance modes are excited via the inverse Faraday effect and unambiguously identified by their distinct frequency dependence on temperature and magnetic field. The temperature-dependent measurements in the external magnetic field H-ext = 2 T revealed that the intrinsic damping of the ferromagnetic mode is always smaller than the one of the exchange modes and both have a maximum near the angular compensation point. These results are fully consistent with recent predictions of atomistic simulations and a theory based on two-sublattice Landau-Lifshitz-Bloch equation. We also demonstrate that the damping of these modes varies differently as a function of H-ext. We explain the observed behaviors by considering the different features of the effective fields defining the precession frequencies of the ferromagnetic and exchange modes. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevB.105.014432 SN - 2469-9950 SN - 2469-9969 VL - 105 IS - 1 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Xu, Pengbo A1 - Metzler, Ralf A1 - Wang, Wanli T1 - Infinite density and relaxation for Levy walks in an external potential BT - Hermite polynomial approach JF - Physical review N2 - Levy walks are continuous-time random-walk processes with a spatiotemporal coupling of jump lengths and waiting times. We here apply the Hermite polynomial method to study the behavior of LWs with power-law walking time density for four different cases. First we show that the known result for the infinite density of an unconfined, unbiased LW is consistently recovered. We then derive the asymptotic behavior of the probability density function (PDF) for LWs in a constant force field, and we obtain the corresponding qth-order moments. In a harmonic external potential we derive the relaxation dynamic of the LW. For the case of a Poissonian walking time an exponential relaxation behavior is shown to emerge. Conversely, a power-law decay is obtained when the mean walking time diverges. Finally, we consider the case of an unconfined, unbiased LW with decaying speed v(r ) = v0/./r. When the mean walking time is finite, a universal Gaussian law for the position-PDF of the walker is obtained explicitly. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevE.105.044118 SN - 2470-0045 SN - 2470-0053 VL - 105 IS - 4 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Sparre, Martin A1 - Whittingham, Joseph A1 - Damle, Mitali A1 - Hani, Maan H. A1 - Richter, Philipp A1 - Ellison, Sara L. A1 - Pfrommer, Christoph A1 - Vogelsberger, Mark T1 - Gas flows in galaxy mergers BT - supersonic turbulence in bridges, accretion from the circumgalactic medium, and metallicity dilution JF - Monthly notices of the Royal Astronomical Society N2 - In major galaxy mergers, the orbits of stars are violently perturbed, and gas is torqued to the centre, diluting the gas metallicity and igniting a starburst. In this paper, we study the gas dynamics in and around merging galaxies using a series of cosmological magnetohydrodynamical zoom-in simulations. We find that the gas bridge connecting the merging galaxies pre-coalescence is dominated by turbulent pressure, with turbulent Mach numbers peaking at values of 1.6-3.3. This implies that bridges are dominated by supersonic turbulence, and are thus ideal candidates for studying the impact of extreme environments on star formation. We also find that gas accreted from the circumgalactic medium (CGM) during the merger significantly contributes (27-51 percent) to the star formation rate (SFR) at the time of coalescence and drives the subsequent reignition of star formation in the merger remnant. Indeed, 19-53 percent of the SFR at z = 0 originates from gas belonging to the CGM prior the merger. Finally, we investigate the origin of the metallicity-diluted gas at the centre of merging galaxies. We show that this gas is rapidly accreted on to the Galactic Centre with a time-scale much shorter than that of normal star-forming galaxies. This explains why coalescing galaxies are not well-captured by the fundamental metallicity relation. KW - MHD KW - methods: numerical KW - galaxies: interactions KW - galaxies: starburst Y1 - 2021 U6 - https://doi.org/10.1093/mnras/stab3171 SN - 1365-2966 VL - 509 IS - 2 SP - 2720 EP - 2735 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Vinod, Deepak A1 - Cherstvy, Andrey G. A1 - Wang, Wei A1 - Metzler, Ralf A1 - Sokolov, Igor M. T1 - Nonergodicity of reset geometric Brownian motion JF - Physical review : E, Statistical, nonlinear and soft matter physics N2 - We derive. the ensemble-and time-averaged mean-squared displacements (MSD, TAMSD) for Poisson-reset geometric Brownian motion (GBM), in agreement with simulations. We find MSD and TAMSD saturation for frequent resetting, quantify the spread of TAMSDs via the ergodicity-breaking parameter and compute distributions of prices. General MSD-TAMSD nonequivalence proves reset GBM nonergodic. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevE.105.L012106 SN - 2470-0045 SN - 2470-0053 VL - 105 IS - 1 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Schlemm, Tanja A1 - Feldmann, Johannes A1 - Winkelmann, Ricarda A1 - Levermann, Anders T1 - Stabilizing effect of melange buttressing on the marine ice-cliff instability of the West Antarctic Ice Sheet JF - The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union N2 - Owing to global warming and particularly high regional ocean warming, both Thwaites and Pine Island Glaciers in the Amundsen region of the Antarctic Ice Sheet could lose their buttressing ice shelves over time. We analyse the possible consequences using the parallel ice sheet model (PISM), applying a simple cliff-calving parameterization and an ice melange-buttressing model. We find that the instantaneous loss of ice-shelf buttressing, due to enforced ice-shelf melting, initiates grounding-line retreat and triggers marine ice sheet instability (MISI). As a consequence, the grounding line progresses into the interior of the West Antarctic Ice Sheet and leads to a sea level contribution of 0.6 m within 100 a. By subjecting the exposed ice cliffs to cliff calving using our simplified parameterization, we also analyse marine ice cliff instability (MICI). In our simulations it can double or even triple the sea level contribution depending on the only loosely constrained parameter that determines the maximum cliff-calving rate. The speed of MICI depends on this upper bound of the calving rate, which is given by the ice melange buttressing the glacier. However, stabilization of MICI may occur for geometric reasons. Because the embayment geometry changes as MICI advances into the interior of the ice sheet, the upper bound on calving rates is reduced and the progress of MICI is slowed down. Although we cannot claim that our simulations bear relevant quantitative estimates of the effect of ice-melange buttressing on MICI, the mechanism has the potential to stop the instability. Further research is needed to evaluate its role for the past and future evolution of the Antarctic Ice Sheet. Y1 - 2022 U6 - https://doi.org/10.5194/tc-16-1979-2022 SN - 1994-0416 SN - 1994-0424 VL - 16 IS - 5 SP - 1979 EP - 1996 PB - Copernicus CY - Göttingen ER - TY - JOUR A1 - Wang, Suhao A1 - Zuo, Guangzheng A1 - Kim, Jongho A1 - Sirringhaus, Henning T1 - Progress of Conjugated Polymers as Emerging Thermoelectric Materials JF - Progress in polymer science N2 - Thanks to the combined effort s of scientist s in several research fields, the preceding decade has witnessed considerable progress in the use of conjugated polymers as emerging thermoelectric materials leading to significant improvements in performance and demonstration of a number of diverse applications. Despite these recent advances, systematic assessments of the impact of molecular design on thermoelectric properties are scarce. Although several reviews marginally highlight the role of chemical structure, the understanding of structure-performance relationships is still fragmented. An in-depth understanding of the relationship between molecular structure and thermoelectric properties will enable the rational design of next-generation thermoelectric polymers. To this end, this review showcases the state-of-the-art thermoelectric polymers, discusses structure-performance relationships, suggests strategies for improving thermoelectric performance that go beyond molecular design, and highlights some of the most impressive applications of thermoelectric polymers. KW - Organic thermoelectrics KW - Seebeck coefficient KW - Doping KW - Polaron KW - Conducting polymers KW - Structure-performance relationship Y1 - 2022 U6 - https://doi.org/10.1016/j.progpolymsci.2022.101548 SN - 0079-6700 SN - 1873-1619 VL - 129 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Vilk, Ohad A1 - Campos, Daniel A1 - Méndez, Vicenç A1 - Lourie, Emmanuel A1 - Nathan, Ran A1 - Assaf, Michael T1 - Phase transition in a non-Markovian animal exploration model with preferential returns JF - Physical review letters N2 - We study a non-Markovian and nonstationary model of animal mobility incorporating both exploration and memory in the form of preferential returns. Exact results for the probability of visiting a given number of sites are derived and a practical WKB approximation to treat the nonstationary problem is developed. A mean-field version of this model, first suggested by Song et al., [Modelling the scaling properties of human mobility, Nat. Phys. 6, 818 (2010)] was shown to well describe human movement data. We show that our generalized model adequately describes empirical movement data of Egyptian fruit bats (Rousettus aegyptiacus) when accounting for interindividual variation in the population. We also study the probability of visiting any site a given number of times and derive a mean-field equation. Our analysis yields a remarkable phase transition occurring at preferential returns which scale linearly with past visits. Following empirical evidence, we suggest that this phase transition reflects a trade-off between extensive and intensive foraging modes. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevLett.128.148301 SN - 0031-9007 SN - 1079-7114 VL - 128 IS - 14 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Mattern, Maximilian A1 - Reppert, Alexander von A1 - Zeuschner, Steffen Peer A1 - Pudell, Jan-Etienne A1 - Kühne, F. A1 - Diesing, Detlef A1 - Herzog, Marc A1 - Bargheer, Matias T1 - Electronic energy transport in nanoscale Au/Fe hetero-structures in the perspective of ultrafast lattice dynamics JF - Applied physics letters N2 - We study the ultrafast electronic transport of energy in a photoexcited nanoscale Au/Fe hetero-structure by modeling the spatiotemporal profile of energy densities that drives transient strain, which we quantify by femtosecond x-ray diffraction. This flow of energy is relevant for intrinsic demagnetization and ultrafast spin transport. We measured lattice strain for different Fe layer thicknesses ranging from few atomic layers to several nanometers and modeled the spatiotemporal flow of energy densities. The combination of a high electron-phonon coupling coefficient and a large Sommerfeld constant in Fe is found to yield electronic transfer of nearly all energy from Au to Fe within the first hundreds of femtoseconds. Y1 - 2022 U6 - https://doi.org/10.1063/5.0080378 SN - 0003-6951 SN - 1077-3118 VL - 120 IS - 9 PB - AIP Publishing CY - Melville ER - TY - JOUR A1 - Ilin, Ekaterina A1 - Poppenhäger, Katja T1 - Searching for flaring star-planet interactions in AU Mic TESS observations JF - Monthly notices of the Royal Astronomical Society N2 - Planets that closely orbit magnetically active stars are thought to be able to interact with their magnetic fields in a way that modulates stellar activity. This modulation in phase with the planetary orbit, such as enhanced X-ray activity, chromospheric spots, radio emission, or flares, is considered the clearest sign of magnetic star-planet interaction (SPI). However, the magnitude of this interaction is poorly constrained, and the intermittent nature of the interaction is a challenge for observers. AU Mic is an early M dwarf, and the most actively flaring planet host detected to date. Its innermost companion, AU Mic b, is a promising target for magnetic SPI observations. We used optical light curves of AU Mic obtained by the Transiting Exoplanet Survey Satellite to search for signs of flaring SPI with AU Mic b using a customized Anderson-Darling test. In the about 50 d of observations, the flare distributions with orbital, rotational, and synodic periods were generally consistent with intrinsic stellar flaring. We found the strongest deviation (p = 0.07, n = 71) from intrinsic flaring with the orbital period of AU Mic b, in the high-energy half of our sample (ED > 1 s). If it reflects the true SPI signal from AU Mic b, extending the observing time by a factor of 2-3 will yield a >3 sigma detection. Continued monitoring of AU Mic may therefore reveal flaring SPI with orbital phase, while rotational modulation will smear out due to the star's strong differential rotation. KW - planets and satellites: individual: AU Mic b KW - planet-star interactions KW - stars: flare KW - stars: individual: AU Mic Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac1232 SN - 0035-8711 SN - 1365-2966 VL - 513 IS - 3 SP - 4579 EP - 4586 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Geier, Stephan A1 - Dorsch, Matti A1 - Pelisoli, Ingrid A1 - Reindl, Nicole A1 - Heber, Ulrich A1 - Irrgang, Andreas T1 - Radial velocity variability and the evolution of hot subdwarf stars JF - Astronomy and astrophysics : an international weekly journal N2 - Hot subdwarf stars represent a late and peculiar stage in the evolution of low-mass stars, since they are likely formed by close binary interactions. In this work, we perform a radial velocity (RV) variability study of a sample of 646 hot subdwarfs with multi-epoch radial velocities based on spectra from Sloan Digital Sky Survey (SDSS) and Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST). The atmospheric parameters and RVs were taken from the literature. For stars with archival spectra but without literature values, we determined the parameters by fitting model atmospheres. In addition, we redetermined the atmospheric parameters and RVs for all the He-enriched sdO/Bs. This broad sample allowed us to study RV-variability as a function of the location in the T-eff - log g- and T-eff - log n(He)/n(H) diagrams in a statistically significant way. We used the fraction of RV-variable stars and the distribution of the maximum RV variations Delta RVmax as diagnostics. Both indicators turned out to be quite inhomogeneous across the studied parameter ranges. A striking feature is the completely dissimilar behaviour of He-poor and He-rich hot subdwarfs. While the former have a high fraction of close binaries, almost no significant RV variations could be detected for the latter. This has led us to the conclusion that there is likely no evolutionary connection between these subtypes. On the other hand, intermediate He-rich- and extreme He-rich sdOB/Os are more likely to be related. Furthermore, we conclude that the vast majority of this population is formed via one or several binary merger channels. Hot subdwarfs with temperatures cooler than similar to 24 000 K tend to show fewer and smaller RV-variations. These objects might constitute a new subpopulation of binaries with longer periods and late-type or compact companions. The RV-variability properties of the extreme horizontal branch (EHB) and corresponding post-EHB populations of the He-poor hot subdwarfs match and confirm the predicted evolutionary connection between them. Stars found below the canonical EHB at somewhat higher surface gravities show large RV variations and a high RV variability fraction. These properties are consistent with most of them being low-mass EHB stars or progenitors of low-mass helium white dwarfs in close binaries. KW - subdwarfs KW - binaries: spectroscopic KW - stars: horizontal-branch Y1 - 2022 U6 - https://doi.org/10.1051/0004-6361/202143022 SN - 0004-6361 SN - 1432-0746 VL - 661 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Bapolisi, Alain Murhimalika A1 - Kielb, Patrycja A1 - Bekir, Marek A1 - Lehnen, Anne-Catherine A1 - Radon, Christin A1 - Laroque, Sophie A1 - Wendler, Petra A1 - Müller-Werkmeister, Henrike A1 - Hartlieb, Matthias T1 - Antimicrobial polymers of linear and bottlebrush architecture BT - Probing the membrane interaction and physicochemical properties JF - Macromolecular rapid communications : publishing the newsletters of the European Polymer Federation N2 - Polymeric antimicrobial peptide mimics are a promising alternative for the future management of the daunting problems associated with antimicrobial resistance. However, the development of successful antimicrobial polymers (APs) requires careful control of factors such as amphiphilic balance, molecular weight, dispersity, sequence, and architecture. While most of the earlier developed APs focus on random linear copolymers, the development of APs with advanced architectures proves to be more potent. It is recently developed multivalent bottlebrush APs with improved antibacterial and hemocompatibility profiles, outperforming their linear counterparts. Understanding the rationale behind the outstanding biological activity of these newly developed antimicrobials is vital to further improving their performance. This work investigates the physicochemical properties governing the differences in activity between linear and bottlebrush architectures using various spectroscopic and microscopic techniques. Linear copolymers are more solvated, thermo-responsive, and possess facial amphiphilicity resulting in random aggregations when interacting with liposomes mimicking Escheria coli membranes. The bottlebrush copolymers adopt a more stable secondary conformation in aqueous solution in comparison to linear copolymers, conferring rapid and more specific binding mechanism to membranes. The advantageous physicochemical properties of the bottlebrush topology seem to be a determinant factor in the activity of these promising APs. KW - antimicrobial polymers KW - bottlebrush copolymers KW - liposomes KW - membrane KW - interactions KW - quartz crystal microbalance Y1 - 2022 U6 - https://doi.org/10.1002/marc.202200288 SN - 1521-3927 SN - 1022-1336 VL - 43 IS - 19 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Hassanin, Alshaimaa A1 - Kliem, Bernhard A1 - Seehafer, Norbert A1 - Török, Tibor T1 - A model of homologous confined and ejective eruptions involving kink instability and flux cancellation JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - In this study, we model a sequence of a confined and a full eruption, employing the relaxed end state of the confined eruption of a kink-unstable flux rope as the initial condition for the ejective one. The full eruption, a model of a coronal mass ejection, develops as a result of converging motions imposed at the photospheric boundary, which drive flux cancellation. In this process, parts of the positive and negative external flux converge toward the polarity inversion line, reconnect, and cancel each other. Flux of the same amount as the canceled flux transfers to a flux rope, increasing the free magnetic energy of the coronal field. With sustained flux cancellation and the associated progressive weakening of the magnetic tension of the overlying flux, we find that a flux reduction of approximate to 11% initiates the torus instability of the flux rope, which leads to a full eruption. These results demonstrate that a homologous full eruption, following a confined one, can be driven by flux cancellation. Y1 - 2022 U6 - https://doi.org/10.3847/2041-8213/ac64a9 SN - 2041-8205 SN - 2041-8213 VL - 929 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Tomovski, Živorad A1 - Metzler, Ralf A1 - Gerhold, Stefan T1 - Fractional characteristic functions, and a fractional calculus approach for moments of random variables JF - Fractional calculus and applied analysis : an international journal for theory and applications N2 - In this paper we introduce a fractional variant of the characteristic function of a random variable. It exists on the whole real line, and is uniformly continuous. We show that fractional moments can be expressed in terms of Riemann-Liouville integrals and derivatives of the fractional characteristic function. The fractional moments are of interest in particular for distributions whose integer moments do not exist. Some illustrative examples for particular distributions are also presented. KW - Fractional calculus (primary) KW - Characteristic function KW - Mittag-Leffler KW - function KW - Fractional moments KW - Mellin transform Y1 - 2022 U6 - https://doi.org/10.1007/s13540-022-00047-x SN - 1314-2224 VL - 25 IS - 4 SP - 1307 EP - 1323 PB - De Gruyter CY - Berlin ; Boston ER - TY - JOUR A1 - Gerhard, Reimund A1 - Kacprzyk, Ryszard T1 - Paul Böning - early electret researcher in Shanghai and Wroclaw (1922-1945) JF - IEEE transactions on dielectrics and electrical insulation N2 - The scientific career and the research activities of Paul Boening, especially during his tenures at Tongji University in Shanghai (Woosung Campus, 1922-1936) and the Technical University of Wroclaw (TH Breslau, 1936-1945), are briefly reviewed. In particular, Boening's pioneering investigations in the area of electrets and space charge in dielectrics are emphasized. We attempt to shed some light on the significant achievements of a virtually unknown contributor to the early history of electrets and of space-charge research and high-voltage engineering, during the 1920s and 1930s. It should be noted that dielectrics research was a truly international endeavor already at that time. KW - dielectrics KW - electrets KW - electrostatic KW - experiments KW - (high-)voltage measurements KW - space charge Y1 - 2022 U6 - https://doi.org/10.1109/TDEI.2022.3168372 SN - 1070-9878 SN - 1558-4135 VL - 29 IS - 3 SP - 853 EP - 858 PB - Institute of Electrical and Electronics Engineers CY - New York, NY ER - TY - JOUR A1 - Grebenkov, Denis S. T1 - An encounter-based approach for restricted diffusion with a gradient drift JF - Journal of physics : A, Mathematical and theoretical N2 - We develop an encounter-based approach for describing restricted diffusion with a gradient drift toward a partially reactive boundary. For this purpose, we introduce an extension of the Dirichlet-to-Neumann operator and use its eigenbasis to derive a spectral decomposition for the full propagator, i.e. the joint probability density function for the particle position and its boundary local time. This is the central quantity that determines various characteristics of diffusion-influenced reactions such as conventional propagators, survival probability, first-passage time distribution, boundary local time distribution, and reaction rate. As an illustration, we investigate the impact of a constant drift onto the boundary local time for restricted diffusion on an interval. More generally, this approach accesses how external forces may influence the statistics of encounters of a diffusing particle with the reactive boundary. KW - boundary local time KW - reflected Brownian motion KW - diffusion-influenced KW - reactions KW - surface reactivity KW - Robin boundary condition KW - Heterogeneous KW - catalysis Y1 - 2022 U6 - https://doi.org/10.1088/1751-8121/ac411a SN - 1751-8113 SN - 1751-8121 VL - 55 IS - 4 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Drechsler, Martin A1 - Wätzold, Frank A1 - Grimm, Volker T1 - The hitchhiker's guide to generic ecological-economic modelling of land-use-based biodiversity conservation policies JF - Ecological modelling : international journal on ecological modelling and engineering and systems ecolog N2 - Biodiversity loss is a result of interacting ecological and economic factors, and it must be addressed through an analysis of biodiversity conservation policies. Ecological-economic modelling is a helpful approach to this analysis, but it is also challenging since modellers often have a specific disciplinary background and tend to misrepresent either the ecological or economic aspects. Here, we introduce some of the most important concepts from both disciplines, and since the two modelling cultures also differ between the two disciplines, we present an integrated, consistent guide through all the steps of generic ecological-economic modelling, such as formulation of the research question, development of the conceptual model, model parametrisation and analysis, and interpretation of model results. Although we focus on generic models aimed at a general understanding of causes and remedies for biodiversity loss, the concepts and guidance provided here may also help in the modelling of more specific conservation problems. This guide is aimed at the intersection of three disciplines: ecology, economics and mathematical modelling, and addresses readers who have some knowledge in at least one of these disciplines and want to learn about the others to build and analyse generic ecological-economic models. Compared to textbooks, the guide focuses on the practice of modelling rather than lengthy explanations of theoretical concepts. We attempt to demonstrate that generic ecological-economic modelling does not require magical powers and instead is a manageable exercise. KW - Biodiversity KW - Conservation policy KW - Ecological-economic modelling KW - Generic modelling KW - Land use Y1 - 2022 U6 - https://doi.org/10.1016/j.ecolmodel.2021.109861 SN - 0304-3800 SN - 1872-7026 VL - 465 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Thayumanasundaram, Savitha A1 - Raman Venkatesan, Thulasinath A1 - Ousset, Aymeric A1 - Van Hollebeke, Kim A1 - Aerts, Luc A1 - Wubbenhorst, Michael A1 - Van den Mooter, Guy T1 - Complementarity of mDSC, DMA, and DRS Techniques in the Study of T-g and Sub-T-g Transitions in Amorphous Solids BT - PVPVA, Indomethacin, and Amorphous Solid Dispersions Based on Indomethacin/PVPVA JF - Molecular pharmaceutics N2 - Recently, glasses, a subset of amorphous solids, have gained attention in various fields, such as polymer chemistry, optical fibers, and pharmaceuticals. One of their characteristic features, the glass transition temperature (T-g) which is absent in 100% crystalline materials, influences several material properties, such as free volume, enthalpy, viscosity, thermodynamic transitions, molecular motions, physical stability, mechanical properties, etc. In addition to T-g, there may be several other temperaturedependent transitions known as sub-T-g transitions (or beta-, gamma-, and delta-relaxations) which are identified by specific analytical techniques. The study of T-g and sub-T-g transitions occurring in amorphous solids has gained much attention because of its importance in understanding molecular kinetics, and it requires the combination of conventional and novel characterization techniques. In the present study, three different analytical techniques [modulated differential scanning calorimetry (mDSC), dynamic mechanical analysis (DMA), and dielectric relaxation spectroscopy (DRS)] were used to perform comprehensive qualitative/quantitative characterization of molecular relaxations, miscibility, and molecular interactions present in an amorphous polymer (PVPVA), a model drug (indomethacin, IND), and IND/PVPVA-based amorphous solid dispersions (ASDs). This is the first ever reported DMA study on PVPVA in its powder form, which avoids the contribution of solvent to the mechanical properties when a selfstanding polymer film is used. A good correlation between the techniques in determining the T-g value of PVPVA, IND, and IND/ PVPVA-based ASDs is established, and the negligible difference (within 10 degrees C) is attributed to the different material properties assessed in each technique. However, the overall T-g behavior, the decrease in T-g with increase in drug loading in ASDs, is universally observed in all the above-mentioned techniques, which reveals their complementarity. DMA and DRS techniques are used to study the different sub-T-g transitions present in PVPVA, amorphous IND, and IND/PVPVA-based ASDs because these transitions are normally too weak or too broad for mDSC to detect. For IND/PVPVA-based ASDs, both techniques show a shift of sub-T-g transitions (or secondary relaxation peaks) toward the high-temperature region from -140 to -45 degrees C. Thus, this paper outlines the usage of different solid-state characterization techniques in understanding the different molecular dynamics present in the polymer, drug, and their interactions in ASDs with the integrated information obtained from individual techniques. KW - amorphous solids KW - PVPVA KW - indomethacin KW - ASDs KW - dynamic mechanical KW - analysis KW - dielectric relaxation spectroscopy KW - sub-T-g relaxations KW - relaxation dynamics Y1 - 2022 U6 - https://doi.org/10.1021/acs.molpharmaceut.2c00123 SN - 1543-8384 SN - 1543-8392 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Rubio, Gabriel A1 - Toalá, Jesús Alberto A1 - Todt, Helge Tobias A1 - Sabin, Laurence A1 - Santamaría, Edgar A1 - Ramos-Larios, Gerardo A1 - Martín Guerrero, José David T1 - Planetary nebulae with Wolf-Rayet-type central stars - IV. NGC 1501 and its mixing layer JF - Monthly notices of the Royal Astronomical Society N2 - Theory predicts that the temperature of the X-ray-emitting gas (similar to 10(6) K) detected from planetary nebulae (PNe) is a consequence of mixing or thermal conduction when in contact with the ionized outer rim (similar to 10(4) K). Gas at intermediate temperatures (similar to 10(5) K) can be used to study the physics of the production of X-ray-emitting gas, via C iv, N v, and O vi ions. Here, we model the stellar atmosphere of the CSPN of NGC 1501 to demonstrate that even this hot H-deficient [WO4]-type star cannot produce these emission lines by photoionization. We use the detection of the C iv lines to assess the physical properties of the mixing region in this PNe in comparison with its X-ray-emitting gas, rendering NGC 1501 only the second PNe with such characterization. We extend our predictions to the hottest [WO1] and cooler [WC5] spectral types and demonstrate that most energetic photons are absorbed in the dense winds of [WR] CSPN and highly ionized species can be used to study the physics behind the production of hot bubbles in PNe. We found that the UV observations of NGC 2452, NGC 6751, and NGC 6905 are consistent with the presence mixing layers and hot bubbles, providing excellent candidates for future X-ray observations. KW - stars: evolution KW - stars: individual: WD0402+607 KW - stars: winds KW - outflows; KW - stars: Wolf-Rayet KW - planetary nebulae: general KW - planetary nebulae KW - individual: NGC1501 Y1 - 2022 U6 - https://doi.org/10.1093/mnras/stac3011 SN - 0035-8711 SN - 1365-2966 VL - 517 IS - 4 SP - 5166 EP - 5179 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Smirnov, Artem A1 - Shprits, Yuri Y. A1 - Allison, Hayley A1 - Aseev, Nikita A1 - Drozdov, Alexander A1 - Kollmann, Peter A1 - Wang, Dedong A1 - Saikin, Anthony T1 - Storm-Time evolution of the Equatorial Electron Pitch Angle Distributions in Earth's Outer Radiation Belt JF - Frontiers in astronomy and space sciences N2 - In this study we analyze the storm-time evolution of equatorial electron pitch angle distributions (PADs) in the outer radiation belt region using observations from the Magnetic Electron Ion Spectrometer (MagEIS) instrument aboard the Van Allen Probes in 2012-2019. The PADs are approximated using a sum of the first, third and fifth sine harmonics. Different combinations of the respective coefficients refer to the main PAD shapes within the outer radiation belt, namely the pancake, flat-top, butterfly and cap PADs. We conduct a superposed epoch analysis of 129 geomagnetic storms and analyze the PAD evolution for day and night MLT sectors. PAD shapes exhibit a strong energy-dependent response. At energies of tens of keV, the PADs exhibit little variation throughout geomagnetic storms. Cap PADs are mainly observed at energies < 300 keV, and their extent in L shrinks with increasing energy. The cap distributions transform into the pancake PADs around the main phase of the storm on the nightside, and then come back to their original shapes during the recovery phase. At higher energies on the dayside, the PADs are mainly pancake during pre-storm conditions and become more anisotropic during the main phase. The quiet-time butterfly PADs can be observed on the nightside at L> 5.6. During the main phase, butterfly PADs have stronger 90 degrees-minima and can be observed at lower L-shells (down to L = 5), then transitioning into flat-top PADs at L similar to 4.5 - 5 and pancake PADs at L < 4.5. The resulting PAD coefficients for different energies, locations and storm epochs can be used to test the wave models and physics-based radiation belt codes in terms of pitch angle distributions. KW - pitch angle KW - pitch angle distributions KW - electrons KW - radiation belts KW - magnetosphere KW - van alien probes Y1 - 2022 U6 - https://doi.org/10.3389/fspas.2022.836811 SN - 2296-987X VL - 9 PB - Frontiers Media CY - Lausanne ER - TY - JOUR A1 - Smith, Bryce A. A1 - Barlow, Brad N. A1 - Rosenthal, Benjamin A1 - Hermes, J. J. A1 - Schaffenroth, Veronika T1 - Pulse Timing Discovery of a Three-day Companion to the Hot Subdwarf BPM 36430 JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - Hot subdwarf B stars are core-helium-burning objects that have undergone envelope stripping, likely by a binary companion. Using high-speed photometry from the Transiting Exoplanet Survey Satellite, we have discovered the hot subdwarf BPM 36430 is a hybrid sdBV(rs) pulsator exhibiting several low-amplitude g-modes and a strong p-mode pulsation. The latter shows a clear, periodic variation in its pulse arrival times. Fits to this phase oscillation imply BPM 36430 orbits a barycenter approximately 10 light-seconds away once every 3.1 days. Using the CHIRON echelle spectrograph on the CTIO 1.5 m telescope, we confirm the reflex motion by detecting a radial-velocity variation with semiamplitude, period, and phase in agreement with the pulse timings. We conclude that a white dwarf companion with minimum mass of approximate to 0.42 M (circle dot) orbits BPM 36430. Our study represents only the second time a companion orbiting a pulsating hot subdwarf or white dwarf has been detected from pulse timings and confirmed with radial velocities. Y1 - 2022 U6 - https://doi.org/10.3847/1538-4357/ac9384 SN - 0004-637X SN - 1538-4357 VL - 939 IS - 1 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Manassen, Yishay A1 - Jbara, Moamen A1 - Averbukh, Michael A1 - Hazan, Zion A1 - Henkel, Carsten A1 - Horovitz, Baruch T1 - Tunnel current noise spectra of spins in individual dimers of molecular radicals JF - Physical review : B, Condensed matter and materials physics N2 - We report the detection of electron spin resonance (ESR) in individual dimers of the stable free radical 2,2,6,6tetramethyl-piperidine-1-oxyl (TEMPO). ESR is measured by the current fluctuations in a scanning tunneling microscope (ESR-STM method). The multipeak power spectra, distinct from macroscopic data, are assigned to dimers having exchange and Dzyaloshinskii-Moriya interactions in the presence of spin-orbit coupling. These interactions are generated in our model by interfering electronic tunneling pathways from tip to sample via the dimer???s two molecules. This is the first demonstration that tunneling via two spins is a valid mechanism of the ESR-STM method. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevB.105.235438 SN - 2469-9950 SN - 2469-9969 VL - 105 IS - 23 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Zeuschner, Steffen Peer A1 - Wang, Xi-Guang A1 - Deb, Marwan A1 - Popova, Elena A1 - Malinowski, Gregory A1 - Hehn, Michel A1 - Keller, Niels A1 - Berakdar, Jamal A1 - Bargheer, Matias T1 - Standing spin wave excitation in Bi BT - YIG films via temperature-induced anisotropy changes and magneto-elastic coupling JF - Physical review : B, Condensed matter and materials physics N2 - Based on micromagnetic simulations and experimental observations of the magnetization and lattice dynamics after the direct optical excitation of the magnetic insulator Bi : YIG or indirect excitation via an optically opaque Pt/Cu double layer, we disentangle the dynamical effects of magnetic anisotropy and magneto-elastic coupling. The strain and temperature of the lattice are quantified via modeling ultrafast x-ray diffraction data. Measurements of the time-resolved magneto-optical Kerr effect agree well with the magnetization dynamics simulated according to the excitation via two mechanisms: the magneto-elastic coupling to the experimentally verified strain dynamics and the ultrafast temperature-induced transient change in the magnetic anisotropy. The numerical modeling proves that, for direct excitation, both mechanisms drive the fundamental mode with opposite phase. The relative ratio of standing spin wave amplitudes of higher-order modes indicates that both mechanisms are substantially active. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevB.106.134401 SN - 2469-9950 SN - 2469-9969 VL - 106 IS - 13 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Laquai, René A1 - Schaupp, Thomas A1 - Griesche, Axel A1 - Müller, Bernd R. A1 - Kupsch, Andreas A1 - Hannemann, Andreas A1 - Kannengiesser, Thomas A1 - Bruno, Giovanni T1 - Quantitative analysis of hydrogen-assisted microcracking in duplex stainless steel through X-ray refraction 3D imaging JF - Advanced engineering materials N2 - While the problem of the identification of mechanisms of hydrogen-assisted damage has and is being thoroughly studied, the quantitative analysis of such damage still lacks suitable tools. In fact, while, for instance, electron microscopy yields excellent characterization, the quantitative analysis of damage requires at the same time large field-of-views and high spatial resolution. Synchrotron X-ray refraction techniques do possess both features. Herein, it is shown how synchrotron X-ray refraction computed tomography (SXRCT) can quantify damage induced by hydrogen embrittlement in a lean duplex steel, yielding results that overperform even those achievable by synchrotron X-ray absorption computed tomography. As already reported in the literature, but this time using a nondestructive technique, it is shown that the hydrogen charge does not penetrate to the center of tensile specimens. By the comparison between virgin and hydrogen-charged specimens, it is deduced that cracks in the specimen bulk are due to the rolling process rather than hydrogen-assisted. It is shown that (micro)cracks propagate from the surface of tensile specimens to the interior with increasing applied strain, and it is deduced that a significant crack propagation can only be observed short before rupture. KW - 2101 duplex stainless steel KW - computed tomography KW - fractography KW - hydrogen KW - embrittlement KW - microcracking KW - synchrotron radiation KW - X-ray refraction Y1 - 2022 U6 - https://doi.org/10.1002/adem.202101287 SN - 1527-2648 VL - 24 IS - 6 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Guggenberger, Tobias A1 - Chechkin, Aleksei A1 - Metzler, Ralf T1 - Absence of stationary states and non-Boltzmann distributions of fractional Brownian motion in shallow external potentials JF - New journal of physics : the open-access journal for physics N2 - We study the diffusive motion of a particle in a subharmonic potential of the form U(x) = |x|( c ) (0 < c < 2) driven by long-range correlated, stationary fractional Gaussian noise xi ( alpha )(t) with 0 < alpha <= 2. In the absence of the potential the particle exhibits free fractional Brownian motion with anomalous diffusion exponent alpha. While for an harmonic external potential the dynamics converges to a Gaussian stationary state, from extensive numerical analysis we here demonstrate that stationary states for shallower than harmonic potentials exist only as long as the relation c > 2(1 - 1/alpha) holds. We analyse the motion in terms of the mean squared displacement and (when it exists) the stationary probability density function. Moreover we discuss analogies of non-stationarity of Levy flights in shallow external potentials. KW - diffusion KW - Boltzmann distribution KW - fractional Brownian motion Y1 - 2022 U6 - https://doi.org/10.1088/1367-2630/ac7b3c SN - 1367-2630 VL - 24 IS - 7 PB - Dt. Physikalische Ges. CY - [Bad Honnef] ER - TY - JOUR A1 - Basnarkov, Lasko A1 - Tomovski, Igor A1 - Sandev, Trifce A1 - Kocarev, Ljupčo T1 - Non-Markovian SIR epidemic spreading model of COVID-19 JF - Chaos, solitons & fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science N2 - We introduce non-Markovian SIR epidemic spreading model inspired by the characteristics of the COVID-19, by considering discrete-and continuous-time versions. The distributions of infection intensity and recovery period may take an arbitrary form. By taking corresponding choice of these functions, it is shown that the model reduces to the classical Markovian case. The epidemic threshold is analytically determined for arbitrary functions of infectivity and recovery and verified numerically. The relevance of the model is shown by modeling the first wave of the epidemic in Italy, Spain and the UK, in the spring, 2020. KW - Epidemic spreading models KW - Non-Markovian processes KW - COVID-19 KW - SIR model Y1 - 2022 U6 - https://doi.org/10.1016/j.chaos.2022.112286 SN - 0960-0779 SN - 1873-2887 VL - 160 PB - Elsevier CY - Oxford [u.a.] ER - TY - JOUR A1 - Dieterich, Peter A1 - Lindemann, Otto A1 - Moskopp, Mats Leif A1 - Tauzin, Sebastien A1 - Huttenlocher, Anna A1 - Klages, Rainer A1 - Chechkin, Aleksei V. A1 - Schwab, Albrecht T1 - Anomalous diffusion and asymmetric tempering memory in neutrophil chemotaxis JF - PLoS Computational Biology : a new community journal N2 - Neutrophil granulocytes are essential for the first host defense. After leaving the blood circulation they migrate efficiently towards sites of inflammation. They are guided by chemoattractants released from cells within the inflammatory foci. On a cellular level, directional migration is a consequence of cellular front-rear asymmetry which is induced by the concentration gradient of the chemoattractants. The generation and maintenance of this asymmetry, however, is not yet fully understood. Here we analyzed the paths of chemotacting neutrophils with different stochastic models to gain further insight into the underlying mechanisms. Wildtype chemotacting neutrophils show an anomalous superdiffusive behavior. CXCR2 blockade and TRPC6-knockout cause the tempering of temporal correlations and a reduction of chemotaxis. Importantly, such tempering is found both in vitro and in vivo. These findings indicate that the maintenance of anomalous dynamics is crucial for chemotactic behavior and the search efficiency of neutrophils. The motility of neutrophils and their ability to sense and to react to chemoattractants in their environment are of central importance for the innate immunity. Neutrophils are guided towards sites of inflammation following the activation of G-protein coupled chemoattractant receptors such as CXCR2 whose signaling strongly depends on the activity of Ca2+ permeable TRPC6 channels. It is the aim of this study to analyze data sets obtained in vitro (murine neutrophils) and in vivo (zebrafish neutrophils) with a stochastic mathematical model to gain deeper insight into the underlying mechanisms. The model is based on the analysis of trajectories of individual neutrophils. Bayesian data analysis, including the covariances of positions for fractional Brownian motion as well as for exponentially and power-law tempered model variants, allows the estimation of parameters and model selection. Our model-based analysis reveals that wildtype neutrophils show pure superdiffusive fractional Brownian motion. This so-called anomalous dynamics is characterized by temporal long-range correlations for the movement into the direction of the chemotactic CXCL1 gradient. Pure superdiffusion is absent vertically to this gradient. This points to an asymmetric 'memory' of the migratory machinery, which is found both in vitro and in vivo. CXCR2 blockade and TRPC6-knockout cause tempering of temporal correlations in the chemotactic gradient. This can be interpreted as a progressive loss of memory, which leads to a marked reduction of chemotaxis and search efficiency of neutrophils. In summary, our findings indicate that spatially differential regulation of anomalous dynamics appears to play a central role in guiding efficient chemotactic behavior. KW - neutrophils KW - chemotaxis KW - autocorrelation KW - zebrafish KW - cell migration KW - covariance KW - brownian motion KW - stochastic processes Y1 - 2022 U6 - https://doi.org/10.1371/journal.pcbi.1010089 SN - 1553-734X SN - 1553-7358 VL - 18 IS - 5 PB - PLoS CY - San Fransisco ER - TY - JOUR A1 - Lai, Huagui A1 - Luo, Jincheng A1 - Zwirner, Yannick A1 - Olthof, Selina A1 - Wieczorek, Alexander A1 - Ye, Fangyuan A1 - Jeangros, Quentin A1 - Yin, Xinxing A1 - Akhundova, Fatima A1 - Ma, Tianshu A1 - He, Rui A1 - Kothandaraman, Radha K. A1 - Chin, Xinyu A1 - Gilshtein, Evgeniia A1 - Muller, Andre A1 - Wang, Changlei A1 - Thiesbrummel, Jarla A1 - Siol, Sebastian A1 - Prieto, Jose Marquez A1 - Unold, Thomas A1 - Stolterfoht, Martin A1 - Chen, Cong A1 - Tiwari, Ayodhya N. A1 - Zhao, Dewei A1 - Fu, Fan T1 - High-performance flexible all-Perovskite tandem solar cells with reduced V-OC-deficit in wide-bandgap subcell JF - Advanced energy materials N2 - Among various types of perovskite-based tandem solar cells (TSCs), all-perovskite TSCs are of particular attractiveness for building- and vehicle-integrated photovoltaics, or space energy areas as they can be fabricated on flexible and lightweight substrates with a very high power-to-weight ratio. However, the efficiency of flexible all-perovskite tandems is lagging far behind their rigid counterparts primarily due to the challenges in developing efficient wide-bandgap (WBG) perovskite solar cells on the flexible substrates as well as their low open-circuit voltage (V-OC). Here, it is reported that the use of self-assembled monolayers as hole-selective contact effectively suppresses the interfacial recombination and allows the subsequent uniform growth of a 1.77 eV WBG perovskite with superior optoelectronic quality. In addition, a postdeposition treatment with 2-thiopheneethylammonium chloride is employed to further suppress the bulk and interfacial recombination, boosting the V-OC of the WBG top cell to 1.29 V. Based on this, the first proof-of-concept four-terminal all-perovskite flexible TSC with a power conversion efficiency of 22.6% is presented. When integrating into two-terminal flexible tandems, 23.8% flexible all-perovskite TSCs with a superior V-OC of 2.1 V is achieved, which is on par with the V-OC reported on the 28% all-perovskite tandems grown on the rigid substrate. KW - all-perovskite tandems KW - flexible tandem solar cells KW - perovskite KW - V OC-deficit KW - wide-bandgap Y1 - 2022 U6 - https://doi.org/10.1002/aenm.202202438 SN - 1614-6832 SN - 1614-6840 VL - 12 IS - 45 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Dudi, Reetika A1 - Adhikari, Ananya A1 - Brügmann, Bernd A1 - Dietrich, Tim A1 - Hayashi, Kota A1 - Kawaguchi, Kyohei A1 - Kiuchi, Kenta A1 - Kyutoku, Koutarou A1 - Shibata, Masaru A1 - Tichy, Wolfgang T1 - Investigating GW190425 with numerical-relativity simulations JF - Physical review : D, Particles, fields, gravitation, and cosmology N2 - The third observing run of the LIGO-Virgo Collaboration has resulted in many gravitational wave detections, including the binary neutron star merger GW190425. However, none of these events have been accompanied with an electromagnetic transient found during extensive follow-up searches. In this article, we perform new numerical-relativity simulations of binary neutron star and black hole-neutron star systems that have a chirp mass consistent with GW190425. Assuming that the GW190425's sky location was covered with sufficient accuracy during the electromagnetic follow-up searches, we investigate whether the nondetection of the kilonova is compatible with the source parameters estimated through the gravitational -wave analysis and how one can use this information to place constraints on the properties of the system. Our simulations suggest that GW190425 is incompatible with an unequal mass binary neutron star merger with a mass ratio q < 0.8 when considering stiff or moderately stiff equations of state if the binary was face on and covered by the observation. Our analysis shows that a detailed observational result for kilonovae will be useful to constrain the mass ratio of binary neutron stars in future events. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevD.106.084039 SN - 2470-0010 SN - 2470-0029 VL - 106 IS - 8 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Rüdiger, Günther A1 - Schultz, Manfred T1 - On the toroidal-velocity antidynamo theorem under the presence of nonuniform electric conductivity JF - Astronomische Nachrichten = Astronomical notes N2 - Laminar electrically conducting Couette flows with the hydrodynamically stable quasi-Keplerian rotation profile and nonuniform conductivity are probed for dynamo instability. In spherical geometry, the equations for the poloidal and the toroidal field components completely decouple, resulting in free decay, regardless of the spatial distribution of the electric conductivity. In cylindrical geometry the poloidal and toroidal components do not decouple, but here also we do not find dynamo excitations for the cases that the electric conductivity only depends on the radius or - much more complex- that it only depends on the azimuthal or the axial coordinate. The transformation of the plane-flow dynamo model of Busse and Wicht (1992) to cylindrical or spherical geometry therefore fails. It is also shown that even the inclusion of axial flows of both directions does not support the dynamo mechanism. The Elsasser toroidal-velocity antidynamo theorem, according to which dynamos without any radial velocity component cannot work, is thus not softened by nonuniform conductivity distributions. KW - antidynamo theorem KW - MHD KW - Taylor-Couette flow Y1 - 2022 U6 - https://doi.org/10.1002/asna.20224011 SN - 0004-6337 SN - 1521-3994 VL - 343 IS - 5 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Del Corpo, Alfredo A1 - Vellante, Massimo A1 - Zhelavskaya, Irina A1 - Shprits, Yuri Y. A1 - Heilig, Balazs A1 - Reda, Jan A1 - Pietropaolo, Ermanno A1 - Lichtenberger, Janos T1 - Study of the average ion mass of the dayside magnetospheric plasma JF - Journal of geophysical research : Space physics N2 - The investigation of heavy ions dynamics and properties in the Earth's magnetosphere is still an important field of research as they play an important role in several space weather aspects. We present a statistical survey of the average ion mass in the dayside magnetosphere made comparing plasma mass density with electron number density measurements and focusing on both spatial and geomagnetic activity dependence. Field line resonance frequency observations across the European quasi-Meridional Magnetometer Array, are used to infer the equatorial plasma mass density in the range of magnetic L-shells 1.6-6.2. The electron number density is derived from local electric field measurements made on Van Allen Probes using the Neural-network-based Upper-hybrid Resonance Determination algorithm. The analysis is conducted separately for the plasmasphere and the plasmatrough during favorable periods for which both the plasma parameters are observed simultaneously. We found that throughout the plasmasphere the average ion mass is similar or equal to 1 amu for a wide range of geomagnetic activity conditions, suggesting that the plasma mainly consist of hydrogen ions, without regard to the level of geomagnetic activity. Conversely, the plasmatrough is characterized by a variable composition, highlighting a heavy ion mass loading that increases with increasing levels of geomagnetic disturbance. During the most disturbed conditions, the average radial structure shows a broad maximum around 3-4 Earth radii, probably correlated with the accumulation of oxygen ions near the plasmapause. Those ions are mostly observed in the post-dawn and pre-dusk longitudinal sectors. KW - magnetospheric average ion mass KW - magnetospheric plasma spatial KW - distribution KW - oxygen torus KW - geomagnetic activity dependence KW - field line KW - resonances Y1 - 2022 U6 - https://doi.org/10.1029/2022JA030605 SN - 2169-9380 VL - 127 IS - 10 PB - American Geophysical Union CY - Washington, DC ER - TY - JOUR A1 - Omarova, Zhansaya A1 - Yerezhep, Darkhan A1 - Aldiyarov, Abdurakhman A1 - Tokmoldin, Nurlan T1 - In Silico Investigation of the Impact of Hole-Transport Layers on the Performance of CH3NH3SnI3 Perovskite Photovoltaic Cells JF - Crystals N2 - Perovskite solar cells represent one of the recent success stories in photovoltaics. The device efficiency has been steadily increasing over the past years, but further work is needed to enhance the performance, for example, through the reduction of defects to prevent carrier recombination. SCAPS-1D simulations were performed to assess efficiency limits and identify approaches to decrease the impact of defects, through the selection of an optimal hole-transport material and a hole-collecting electrode. Particular attention was given to evaluation of the influence of bulk defects within light-absorbing CH3NH3SnI3 layers. In addition, the study demonstrates the influence of interface defects at the TiO2/CH3NH3SnI3 (IL1) and CH3NH3SnI3/HTL (IL2) interfaces across the similar range of defect densities. Finally, the optimal device architecture TiO2/CH3NH3SnI3/Cu2O is proposed for the given absorber layer using the readily available Cu2O hole-transporting material with PCE = 27.95%, FF = 84.05%, V-OC = 1.02 V and J(SC) = 32.60 mA/cm(2), providing optimal performance and enhanced resistance to defects. KW - perovskite solar cells KW - CH3NH3SnI3 KW - SCAPS-1D KW - modeling KW - HTL Y1 - 2022 U6 - https://doi.org/10.3390/cryst12050699 SN - 2073-4352 VL - 12 IS - 5 PB - MDPI CY - Basel ER - TY - JOUR A1 - Eckert, Sebastian A1 - Mascarenhas, Eric Johnn A1 - Mitzner, Rolf A1 - Jay, Raphael Martin A1 - Pietzsch, Annette A1 - Fondell, Mattis A1 - Vaz da Cruz, Vinicius A1 - Föhlisch, Alexander T1 - From the free ligand to the transition metal complex BT - FeEDTA(-) formation seen at ligand K-Edges JF - Inorganic chemistry N2 - Chelating agents are an integral part of transition metal complex chemistry with broad biological and industrial relevance. The hexadentate chelating agent ethylenediaminetetraacetic acid (EDTA) has the capability to bind to metal ions at its two nitrogen and four of its carboxylate oxygen sites. We use resonant inelastic X-ray scattering at the 1s absorption edge of the aforementioned elements in EDTA and the iron(III)-EDTA complex to investigate the impact of the metal-ligand bond formation on the electronic structure of EDTA. Frontier orbital distortions, occupation changes, and energy shifts through metal- ligand bond formation are probed through distinct spectroscopic signatures. KW - Energy KW - Ligands KW - Metals KW - Nitrogen KW - Oxygen Y1 - 2022 U6 - https://doi.org/10.1021/acs.inorgchem.2c00789 SN - 0020-1669 SN - 1520-510X VL - 61 IS - 27 SP - 10321 EP - 10328 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Zeiske, Stefan A1 - Sandberg, Oskar J. A1 - Zarrabi, Nasim A1 - Wolff, Christian Michael A1 - Raoufi, Meysam A1 - Peña-Camargo, Francisco A1 - Gutierrez-Partida, Emilio A1 - Meredith, Paul A1 - Stolterfoht, Martin A1 - Armin, Ardalan T1 - Static disorder in lead halide perovskites JF - The journal of physical chemistry letters N2 - In crystalline and amorphous semiconductors, the temperature-dependent Urbach energy can be determined from the inverse slope of the logarithm of the absorption spectrum and reflects the static and dynamic energetic disorder. Using recent advances in the sensitivity of photocurrent spectroscopy methods, we elucidate the temperature-dependent Urbach energy in lead halide perovskites containing different numbers of cation components. We find Urbach energies at room temperature to be 13.0 +/- 1.0, 13.2 +/- 1.0, and 13.5 +/- 1.0 meV for single, double, and triple cation perovskite. Static, temperature-independent contributions to the Urbach energy are found to be as low as 5.1 ?+/- 0.5, 4.7 +/- 0.3, and 3.3 +/- 0.9 meV for the same systems. Our results suggest that, at a low temperature, the dominant static disorder in perovskites is derived from zero-point phonon energy rather than structural disorder. This is unusual for solution-processed semiconductors but broadens the potential application of perovskites further to quantum electronics and devices. KW - Cations KW - External quantum efficiency KW - Perovskites KW - Solar cells KW - Solar energy Y1 - 2022 U6 - https://doi.org/10.1021/acs.jpclett.2c01652 SN - 1948-7185 VL - 13 IS - 31 SP - 7280 EP - 7285 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Schröder, Jakob A1 - Evans, Alexander A1 - Polatidis, Efthymios A1 - Mohr, Gunther A1 - Serrano-Munoz, Itziar A1 - Bruno, Giovanni A1 - Čapek, Jan T1 - Understanding the impact of texture on the micromechanical anisotropy of laser powder bed fused Inconel 718 JF - Journal of materials science N2 - The manufacturability of metallic alloys using laser-based additive manufacturing methods such as laser powder bed fusion has substantially improved within the last decade. However, local melting and solidification cause hierarchically structured and crystallographically textured microstructures possessing large residual stress. Such microstructures are not only the origin of mechanical anisotropy but also pose metrological challenges for the diffraction-based residual stress determination. Here we demonstrate the influence of the build orientation and the texture on the microstructure and consequently the mechanical anisotropy of as-built Inconel 718. For this purpose, we manufactured specimens with [001]/[011]-, [001]- and [011]/[11 (1) over bar]-type textures along their loading direction. In addition to changes in the Young's moduli, the differences in the crystallographic textures result in variations of the yield and ultimate tensile strengths. With this in mind, we studied the anisotropy on the micromechanical scale by subjecting the specimens to tensile loads along the different texture directions during in situ neutron diffraction experiments. In this context, the response of multiple lattice planes up to a tensile strain of 10% displayed differences in the load partitioning and the residual strain accumulation for the specimen with [011]/[(1) over bar 11]-type texture. However, the relative behavior of the specimens possessing an [001] /[011]- and [001]-type texture remained qualitatively similar. The consequences on the metrology of residual stress determination methods are discussed. Y1 - 2022 U6 - https://doi.org/10.1007/s10853-022-07499-9 SN - 0022-2461 SN - 1573-4803 VL - 57 IS - 31 SP - 15036 EP - 15058 PB - Springer CY - New York ER - TY - JOUR A1 - Liu, Chun-Yu A1 - Ruotsalainen, Kari A1 - Bauer, Karl A1 - Decker, Régis A1 - Pietzsch, Annette A1 - Föhlisch, Alexander T1 - Excited-state exchange interaction in NiO determined by high-resolution resonant inelastic x-ray scattering at the Ni M2,3 edges JF - Physical review : B, Condensed matter and materials physics N2 - The electronic and magnetic excitations of bulk NiO have been determined using the 3A2g to 3T2g crystal-field transition at the Ni M2,3 edges with resonant inelastic x-ray scattering at 66.3- and 67.9-eV photon energies and 33-meV spectral resolution. Unambiguous assignment of the high-energy side of this state to a spin-flip satellite is achieved. We extract an effective exchange field of 89±4 meV in the 3T2g excited final state from empirical two-peak spin-flip model. The experimental data is found consistent with crystal-field model calculations using exchange fields of 60–100 meV. Full agreement with crystal-field multiplet calculations is achieved for the incident photon energy dependence of line shapes. The lower exchange parameter in the excited state as compared to the ground-state value of 120 meV is discussed in terms of the modification of the orbital occupancy (electronic effects) and of the structural dynamics: (A) With pure electronic effects, the lower exchange energy is attributed to the reduction in effective hopping integral. (B) With no electronic effects, we use the S = 1 Heisenberg model of antiferromagnetism to derive a second-nearest-neighbor exchange constant J2 = 14.8±0.6 meV. Based on the linear correlation between J2 and the lattice parameter from pressure-dependent experiments, an upper limit of 2% local Ni-O bond elongation during the femtosecond scattering duration is derived. Y1 - 2022 U6 - https://doi.org/10.1103/PhysRevB.106.035104 SN - 2469-9950 SN - 2469-9969 VL - 106 IS - 3 PB - American Physical Society CY - Ridge, NY ER -