@article{RaoufiHoermannLigorioetal.2020, author = {Raoufi, Meysam and H{\"o}rmann, Ulrich and Ligorio, Giovanni and Hildebrandt, Jana and P{\"a}tzel, Michael and Schultz, Thorsten and Perdig{\´o}n-Toro, Lorena and Koch, Norbert and List-Kratochvil, Emil and Hecht, Stefan and Neher, Dieter}, title = {Simultaneous effect of ultraviolet radiation and surface modification on the work function and hole injection properties of ZnO thin films}, series = {Physica Status Solidi. A , Applications and materials science}, volume = {217}, journal = {Physica Status Solidi. A , Applications and materials science}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6300}, doi = {10.1002/pssa.201900876}, pages = {1 -- 6}, year = {2020}, abstract = {The combined effect of ultraviolet (UV) light soaking and self-assembled monolayer deposition on the work function (WF) of thin ZnO layers and on the efficiency of hole injection into the prototypical conjugated polymer poly(3-hexylthiophen-2,5-diyl) (P3HT) is systematically investigated. It is shown that the WF and injection efficiency depend strongly on the history of UV light exposure. Proper treatment of the ZnO layer enables ohmic hole injection into P3HT, demonstrating ZnO as a potential anode material for organic optoelectronic devices. The results also suggest that valid conclusions on the energy-level alignment at the ZnO/organic interfaces may only be drawn if the illumination history is precisely known and controlled. This is inherently problematic when comparing electronic data from ultraviolet photoelectron spectroscopy (UPS) measurements carried out under different or ill-defined illumination conditions.}, language = {en} } @article{VarykhalovFreyseAguileraetal.2020, author = {Varykhalov, Andrei and Freyse, Friedrich and Aguilera, Irene and Battiato, Marco and Krivenkov, Maxim and Marchenko, Dmitry and Bihlmayer, Gustav and Blugel, Stefan and Rader, Oliver and Sanchez-Barriga, Jaime}, title = {Effective mass enhancement and ultrafast electron dynamics of Au(111) surface state coupled to a quantum well}, series = {Physical Review Research}, volume = {2}, journal = {Physical Review Research}, number = {1}, publisher = {American Physical Society}, address = {Ridge, NY}, issn = {0031-9007}, doi = {10.1103/PhysRevResearch.2.013343}, pages = {1 -- 9}, year = {2020}, abstract = {We show that, although the equilibrium band dispersion of the Shockley-type surface state of two-dimensional Au(111) quantum films grown on W(110) does not deviate from the expected free-electron-like behavior, its nonequilibrium energy-momentum dispersion probed by time- and angle-resolved photoemission exhibits a remarkable kink above the Fermi level due to a significant enhancement of the effective mass. The kink is pronounced for certain thicknesses of the Au quantum well and vanishes in the very thin limit. We identify the kink as induced by the coupling between the Au(111) surface state and emergent quantum-well states which probe directly the buried gold-tungsten interface. The signatures of the coupling are further revealed by our time-resolved measurements which show that surface state and quantum-well states thermalize together behaving as dynamically locked electron populations. In particular, relaxation of hot carriers following laser excitation is similar for both surface state and quantum-well states and much slower than expected for a bulk metallic system. The influence of quantum confinement on the interplay between elementary scattering processes of the electrons at the surface and ultrafast carrier transport in the direction perpendicular to the surface is shown to be the reason for the slow electron dynamics.}, language = {en} } @article{PochIstiqomahQuiricoetal.2020, author = {Poch, Olivier and Istiqomah, Istiqomah and Quirico, Eric and Beck, Pierre and Schmitt, Bernard and Theul{\´e}, Patrice and Faure, Alexandre and Hily-Blant, Pierre and Bonal, Lydie and Kappel, David}, title = {Ammonium salts are a reservoir of nitrogen on a cometary nucleus and possibly on some asteroids}, series = {Science}, volume = {367}, journal = {Science}, number = {6483}, publisher = {AAAS, American Association for the Advancement of Science}, address = {Washington, DC}, issn = {1095-9203}, doi = {10.1126/science.aaw7462}, pages = {1 -- 8}, year = {2020}, abstract = {The measured nitrogen-to-carbon ratio in comets is lower than for the Sun, a discrepancy which could be alleviated if there is an unknown reservoir of nitrogen in comets. The nucleus of comet 67P/Churyumov-Gerasimenko exhibits an unidentified broad spectral reflectance feature around 3.2 micrometers, which is ubiquitous across its surface. On the basis of laboratory experiments, we attribute this absorption band to ammonium salts mixed with dust on the surface. The depth of the band indicates that semivolatile ammonium salts are a substantial reservoir of nitrogen in the comet, potentially dominating over refractory organic matter and more volatile species. Similar absorption features appear in the spectra of some asteroids, implying a compositional link between asteroids, comets, and the parent interstellar cloud.}, language = {en} } @article{SchueKopyshevLutzetal.2020, author = {Schu{\´e}, Emmanuelle and Kopyshev, Alexey and Lutz, Jean-Fran{\c{c}}ois and B{\"o}rner, Hans G.}, title = {Molecular bottle brushes with positioned selenols}, series = {Journal of Polymer Science}, volume = {58}, journal = {Journal of Polymer Science}, number = {1}, publisher = {Wiley}, address = {Hoboken}, issn = {2642-4169}, doi = {10.1002/pola.29496}, pages = {154 -- 162}, year = {2020}, abstract = {A synthesis route to controlled and dynamic single polymer chain folding is reported. Sequence-controlled macromolecules containing precisely located selenol moieties within a polymer chain are synthesized. Oxidation of selenol functionalities lead to diselenide bridges and induces controlled intramolecular crosslinking to generate single chain collapse. The cyclization process is successfully characterized by SEC as well as by H-1 NMR and 2D HSQC NMR spectroscopies. In order to gain insight on the molecular level to reveal the degree of structural control, the folded polymers are transformed into folded molecular brushes that are known to be visualizable as single molecule structures by AFM. The "grafting onto" approach is performed by using triazolinedione-diene reaction to graft the side chain polymers. A series of folded molecular brushes as well as the corresponding linear controls are synthesized. AFM visualization is proving the cyclization of the folded backbone by showing globular objects, where non-folded brushes show typical worm-like structures. (C) 2019 The Authors. Journal of Polymer Science published by Wiley Periodicals, Inc.}, language = {en} } @article{KirchartzMarquezStolterfohtetal.2020, author = {Kirchartz, Thomas and M{\´a}rquez, Jos{\´e} A. and Stolterfoht, Martin and Unold, Thomas}, title = {Photoluminescence-based characterization of halide perovskites for photovoltaics}, series = {Advanced Energy Materials}, volume = {10}, journal = {Advanced Energy Materials}, number = {26}, publisher = {Wiley}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201904134}, pages = {1 -- 21}, year = {2020}, abstract = {Photoluminescence spectroscopy is a widely applied characterization technique for semiconductor materials in general and halide perovskite solar cell materials in particular. It can give direct information on the recombination kinetics and processes as well as the internal electrochemical potential of free charge carriers in single semiconductor layers, layer stacks with transport layers, and complete solar cells. The correct evaluation and interpretation of photoluminescence requires the consideration of proper excitation conditions, calibration and application of the appropriate approximations to the rather complex theory, which includes radiative recombination, non-radiative recombination, interface recombination, charge transfer, and photon recycling. In this article, an overview is given of the theory and application to specific halide perovskite compositions, illustrating the variables that should be considered when applying photoluminescence analysis in these materials.}, language = {en} } @article{ChengZhangKliemetal.2020, author = {Cheng, Xin and Zhang, Jie and Kliem, Bernhard and T{\"o}r{\"o}k, Tibor and Xing, Chen and Zhou, Zhenjun and Inhester, Bernd and Ding, Mingde}, title = {Initiation and early kinematic evolution of solar eruptions}, series = {The Astrophysical Journal}, volume = {894}, journal = {The Astrophysical Journal}, number = {2}, publisher = {Cambridge Scientific Publishers}, address = {Cambridge}, issn = {1055-6796}, doi = {10.3847/1538-4357/ab886a}, pages = {1 -- 20}, year = {2020}, abstract = {We investigate the initiation and early evolution of 12 solar eruptions, including six active-region hot channel and six quiescent filament eruptions, which were well observed by the Solar Dynamics Observatory, as well as by the Solar Terrestrial Relations Observatory for the latter. The sample includes one failed eruption and 11 coronal mass ejections, with velocities ranging from 493 to 2140 km s(-1). A detailed analysis of the eruption kinematics yields the following main results. (1) The early evolution of all events consists of a slow-rise phase followed by a main-acceleration phase, the height-time profiles of which differ markedly and can be best fit, respectively, by a linear and an exponential function. This indicates that different physical processes dominate in these phases, which is at variance with models that involve a single process. (2) The kinematic evolution of the eruptions tends to be synchronized with the flare light curve in both phases. The synchronization is often but not always close. A delayed onset of the impulsive flare phase is found in the majority of the filament eruptions (five out of six). This delay and its trend to be larger for slower eruptions favor ideal MHD instability models. (3) The average decay index at the onset heights of the main acceleration is close to the threshold of the torus instability for both groups of events (although, it is based on a tentative coronal field model for the hot channels), suggesting that this instability initiates and possibly drives the main acceleration.}, language = {en} } @article{GarciaBenitoQuartiQuelozetal.2020, author = {Garc{\´i}a-Benito, In{\´e}s and Quarti, Claudio and Queloz, Valentin I. E. and Hofstetter, Yvonne J. and Becker-Koch, David and Caprioglio, Pietro and Neher, Dieter and Orlandi, Simonetta and Cavazzini, Marco and Pozzi, Gianluca and Even, Jacky and Nazeeruddin, Mohammad Khaja and Vaynzof, Yana and Grancini, Giulia}, title = {Fluorination of organic spacer impacts on the structural and optical response of 2D perovskites}, series = {Frontiers in Chemistry}, volume = {7}, journal = {Frontiers in Chemistry}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00946}, pages = {1 -- 11}, year = {2020}, abstract = {Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent structural and optical features in two-dimensional (2D) perovskites is paramount for material optimization. To obtain a deeper understanding of the relationship between spacers and the corresponding 2D perovskite film properties, we explore the influence of the partial substitution of hydrogen atoms by fluorine in an alkylammonium organic cation, resulting in (Lc)(2)PbI4 and (Lf)(2)PbI4 2D perovskites, respectively. Consequently, optical analysis reveals a clear 0.2 eV blue-shift in the excitonic position at room temperature. This result can be mainly attributed to a band gap opening, with negligible effects on the exciton binding energy. According to Density Functional Theory (DFT) calculations, the band gap increases due to a larger distortion of the structure that decreases the atomic overlap of the wavefunctions and correspondingly bandwidth of the valence and conduction bands. In addition, fluorination impacts the structural rigidity of the 2D perovskite, resulting in a stable structure at room temperature and the absence of phase transitions at a low temperature, in contrast to the widely reported polymorphism in some non-fluorinated materials that exhibit such a phase transition. This indicates that a small perturbation in the material structure can strongly influence the overall structural stability and related phase transition of 2D perovskites, making them more robust to any phase change. This work provides key information on how the fluorine content in organic spacer influence the structural distortion of 2D perovskites and their optical properties which possess remarkable importance for future optoelectronic applications, for instance in the field of light-emitting devices or sensors.}, language = {en} } @article{ZhongCausaMooreetal.2020, author = {Zhong, Yufei and Causa, Martina and Moore, Gareth John and Krauspe, Philipp and Xiao, Bo and G{\"u}nther, Florian and Kublitski, Jonas and BarOr, Eyal and Zhou, Erjun and Banerji, Natalie}, title = {Sub-picosecond charge-transfer at near-zero driving force in polymer:non-fullerene acceptor blends and bilayers}, series = {Nature Communications}, volume = {11}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group UK}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-020-14549-w}, pages = {1 -- 10}, year = {2020}, abstract = {Organic photovoltaics based on non-fullerene acceptors (NFAs) show record efficiency of 16 to 17\% and increased photovoltage owing to the low driving force for interfacial charge-transfer. However, the low driving force potentially slows down charge generation, leading to a tradeoff between voltage and current. Here, we disentangle the intrinsic charge-transfer rates from morphology-dependent exciton diffusion for a series of polymer:NFA systems. Moreover, we establish the influence of the interfacial energetics on the electron and hole transfer rates separately. We demonstrate that charge-transfer timescales remain at a few hundred femtoseconds even at near-zero driving force, which is consistent with the rates predicted by Marcus theory in the normal region, at moderate electronic coupling and at low re-organization energy. Thus, in the design of highly efficient devices, the energy offset at the donor:acceptor interface can be minimized without jeopardizing the charge-transfer rate and without concerns about a current-voltage tradeoff.}, language = {en} } @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{SchaffenrothCasewellSchneideretal.2020, author = {Schaffenroth, Veronika and Casewell, Sarah L. and Schneider, D. and Kilkenny, David and Geier, Stephan and Heber, Ulrich and Irrgang, Andreas and Przybilla, Norbert and Marsh, Thomas R. and Littlefair, Stuart P. and Dhillon, Vik S.}, title = {A quantitative in-depth analysis of the prototype sdB plus BD system SDSS J08205+0008 revisited in the Gaia era}, series = {Monthly notices of the Royal Astronomical Society}, volume = {501}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa3661}, pages = {3847 -- 3870}, year = {2020}, abstract = {Subdwarf B stars are core-helium-burning stars located on the extreme horizontal branch (EHB). Extensive mass loss on the red giant branch is necessary to form them. It has been proposed that substellar companions could lead to the required mass loss when they are engulfed in the envelope of the red giant star. J08205+0008 was the first example of a hot subdwarf star with a close, substellar companion candidate to be found. Here, we perform an in-depth re-analysis of this important system with much higher quality data allowing additional analysis methods. From the higher resolution spectra obtained with ESO-VLT/XSHOOTER, we derive the chemical abundances of the hot subdwarf as well as its rotational velocity. Using the Gaia parallax and a fit to the spectral energy distribution in the secondary eclipse, tight constraints to the radius of the hot subdwarf are derived. From a long-term photometric campaign, we detected a significant period decrease of -3.2(8) x 10(-12) dd(-1). This can be explained by the non-synchronized hot subdwarf star being spun up by tidal interactions forcing it to become synchronized. From the rate of period decrease we could derive the synchronization time-scale to be 4 Myr, much smaller than the lifetime on EHB. By combining all different methods, we could constrain the hot subdwarf to a mass of 0.39-0.50 M-circle dot and a radius of R-sdB = 0.194 +/- 0.008 R-circle dot, and the companion to 0.061-0.071 M-circle dot with a radius of R-comp = 0.092 +/- 0.005 R-circle dot, below the hydrogen-burning limit. We therefore confirm that the companion is most likely a massive brown dwarf.}, language = {en} } @article{MansourLungwitzSchultzetal.2020, author = {Mansour, Ahmed E. and Lungwitz, Dominique and Schultz, Thorsten and Arvind, Malavika and Valencia, Ana M. and Cocchi, Caterina and Opitz, Andreas and Neher, Dieter and Koch, Norbert}, title = {The optical signatures of molecular-doping induced polarons in poly(3-hexylthiophene-2,5-diyl)}, series = {Journal of materials chemistry : C, Materials for optical and electronic devices}, volume = {8}, journal = {Journal of materials chemistry : C, Materials for optical and electronic devices}, number = {8}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7526}, doi = {10.1039/c9tc06509a}, pages = {2870 -- 2879}, year = {2020}, abstract = {Optical absorption spectroscopy is a key method to investigate doped conjugated polymers and to characterize the doping-induced charge carriers, i.e., polarons. For prototypical poly(3-hexylthiophene-2,5-diyl) (P3HT), the absorption intensity of molecular dopant induced polarons is widely used to estimate the carrier density and the doping efficiency, i.e., the number of polarons formed per dopant molecule. However, the dependence of the polaron-related absorption features on the structure of doped P3HT, being either aggregates or separated individual chains, is not comprehensively understood in contrast to the optical absorption features of neutral P3HT. In this work, we unambiguously differentiate the optical signatures of polarons on individual P3HT chains and aggregates in solution, notably the latter exhibiting the same shape as aggregates in solid thin films. This is enabled by employing tris(pentafluorophenyl)borane (BCF) as dopant, as this dopant forms only ion pairs with P3HT and no charge transfer complexes, and BCF and its anion have no absorption in the spectral region of P3HT polarons. Polarons on individual chains exhibit absorption peaks at 1.5 eV and 0.6 eV, whereas in aggregates the high-energy peak is split into a doublet 1.3 eV and 1.65 eV, and the low-energy peak is shifted below 0.5 eV. The dependence of the fraction of solvated individual chains versus aggregates on absolute solution concentration, dopant concentration, and temperature is elucidated, and we find that aggregates predominate in solution under commonly used processing conditions. Aggregates in BCF-doped P3HT solution can be effectively removed upon simple filtering. From varying the filter pore size (down to 200 nm) and thin film morphology characterization with scanning force microscopy we reveal the aggregates' size dependence on solution absolute concentration and dopant concentration. Furthermore, X-ray photoelectron spectroscopy shows that the dopant loading in aggregates is higher than for individual P3HT chains. The results of this study help understanding the impact of solution pre-aggregation on thin film properties of molecularly doped P3HT, and highlight the importance of considering such aggregation for other doped conjugated polymers in general.}, language = {en} } @article{ZuSchultzWolffetal.2020, author = {Zu, Fengshuo and Schultz, Thorsten and Wolff, Christian Michael and Shin, Dongguen and Frohloff, Lennart and Neher, Dieter and Amsalem, Patrick and Koch, Norbert}, title = {Position-locking of volatile reaction products by atmosphere and capping layers slows down photodecomposition of methylammonium lead triiodide perovskite}, series = {RSC Advances}, volume = {10}, journal = {RSC Advances}, number = {30}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2046-2069}, doi = {10.1039/d0ra03572f}, pages = {17534 -- 17542}, year = {2020}, abstract = {The remarkable progress of metal halide perovskites in photovoltaics has led to the power conversion efficiency approaching 26\%. However, practical applications of perovskite-based solar cells are challenged by the stability issues, of which the most critical one is photo-induced degradation. Bare CH3NH3PbI3 perovskite films are known to decompose rapidly, with methylammonium and iodine as volatile species and residual solid PbI2 and metallic Pb, under vacuum under white light illumination, on the timescale of minutes. We find, in agreement with previous work, that the degradation is non-uniform and proceeds predominantly from the surface, and that illumination under N-2 and ambient air (relative humidity 20\%) does not induce substantial degradation even after several hours. Yet, in all cases the release of iodine from the perovskite surface is directly identified by X-ray photoelectron spectroscopy. This goes in hand with a loss of organic cations and the formation of metallic Pb. When CH3NH3PbI3 films are covered with a few nm thick organic capping layer, either charge selective or non-selective, the rapid photodecomposition process under ultrahigh vacuum is reduced by more than one order of magnitude, and becomes similar in timescale to that under N-2 or air. We conclude that the light-induced decomposition reaction of CH3NH3PbI3, leading to volatile methylammonium and iodine, is largely reversible as long as these products are restrained from leaving the surface. This is readily achieved by ambient atmospheric pressure, as well as a thin organic capping layer even under ultrahigh vacuum. In addition to explaining the impact of gas pressure on the stability of this perovskite, our results indicate that covalently "locking" the position of perovskite components at the surface or an interface should enhance the overall photostability.}, language = {en} } @article{SamsonRechPerdigonToroetal.2020, author = {Samson, Stephanie and Rech, Jeromy and Perdig{\´o}n-Toro, Lorena and Peng, Zhengxing and Shoaee, Safa and Ade, Harald and Neher, Dieter and Stolterfoht, Martin and You, Wei}, title = {Organic solar cells with large insensitivity to donor polymer molar mass across all acceptor classes}, series = {ACS applied polymer materials}, volume = {2}, journal = {ACS applied polymer materials}, number = {11}, publisher = {American Chemical Society}, address = {Washington}, issn = {2637-6105}, doi = {10.1021/acsapm.0c01041}, pages = {5300 -- 5308}, year = {2020}, abstract = {Donor polymer number-average molar mass (M-n) has long been known to influence organic photovoltaic (OPV) performance via changes in both the polymer properties and the resulting bulk heterojunction morphology. The exact nature of these M-n effects varies from system to system, although there is generally some intermediate M-n that results in optimal performance. Interestingly, our earlier work with the difluorobenzotriazole (FTAZ)-based donor polymer, paired with either N2200 (polymer acceptor) or PC61BM (fullerene acceptor), PcBm demonstrated <10\% variation in power conversion efficiency and a consistent morphology over a large span of M-n (30 kg/mol to over 100 kg/mol). Would such insensitivity to polymer M-n still hold true when prevailing small molecular acceptors were used with FTAZ? To answer this question, we explored the impact of FTAZ on OPVs with ITIC, a high-performance small-molecule fused-ring electron acceptor (FREA). By probing the photovoltaic characteristics of the resulting OPVs, we show that a similar FTAZ mn insensitivity is also found in the FTAZ:ITIC system. This study highlights a single-donor polymer which, when paired with an archetypal fullerene, polymer, and FREA, results in systems that are largely insensitive to donor M. Our results may have implications in polymer batch-to-batch reproducibility, in particular, relaxing the need for tight M-n control during synthesis.}, language = {en} } @article{FulmerGallagherHamannetal.2020, author = {Fulmer, Leah M. and Gallagher, John S. and Hamann, Wolf-Rainer and Oskinova, Lida and Ramachandran, Varsha}, title = {Testing massive star evolution, star-formation history, and feedback at low metallicity}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {633}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/201834314}, pages = {9}, year = {2020}, abstract = {Context. The supergiant ionized shell SMC-SGS 1 (DEM 167), which is located in the outer Wing of the Small Magellanic Cloud (SMC), resembles structures that originate from an energetic star-formation event and later stimulate star formation as they expand into the ambient medium. However, stellar populations within and surrounding SMC-SGS 1 tell a different story. Aims. We present a photometric study of the stellar population encompassed by SMC-SGS 1 in order to trace the history of such a large structure and its potential influence on star formation within the low-density, low-metallicity environment of the SMC. Methods. For a stellar population that is physically associated with SMC-SGS 1, we combined near-ultraviolet (NUV) photometry from the Galaxy Evolution Explorer with archival optical (V-band) photometry from the ESO Danish 1.54 m Telescope. Given their colors and luminosities, we estimated stellar ages and masses by matching observed photometry to theoretical stellar isochrone models. Results. We find that the investigated region supports an active, extended star-formation event spanning similar to 25-40 Myr ago, as well as continued star formation into the present. Using a standard initial mass function, we infer a lower bound on the stellar mass from this period of similar to 3 x 10(4) M-circle dot, corresponding to a star-formation intensity of similar to 6 x 10(-3) M-circle dot kpc(-2) yr(-1). Conclusions. The spatial and temporal distributions of young stars encompassed by SMC-SGS 1 imply a slow, consistent progression of star formation over millions of years. Ongoing star formation, both along the edge and interior to SMC-SGS 1, suggests a combined stimulated and stochastic mode of star formation within the SMC Wing. We note that a slow expansion of the shell within this low-density environment may preserve molecular clouds within the volume of the shell, leaving them to form stars even after nearby stellar feedback expels local gas and dust.}, language = {en} } @article{JayEckertMitzneretal.2020, author = {Jay, Raphael M. and Eckert, Sebastian and Mitzner, Rolf and Fondell, Mattis and F{\"o}hlisch, Alexander}, title = {Quantitative evaluation of transient valence orbital occupations in a 3d transition metal complex as seen from the metal and ligand perspective}, series = {Chemical physics letters}, volume = {754}, journal = {Chemical physics letters}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0009-2614}, doi = {10.1016/j.cplett.2020.137681}, pages = {5}, year = {2020}, abstract = {It is demonstrated for the case of photo-excited ferrocyanide how time-resolved soft X-ray absorption spectroscopy in transmission geometry at the ligand K-edge and metal L-3-edge provides quantitatively equivalent valence electronic structure information, where signatures of photo-oxidation are assessed locally at the metal as well as the ligand. This allows for a direct and independent quantification of the number of photo-oxidized molecules at two soft X-ray absorption edges highlighting the sensitivity of X-ray absorption spectroscopy to the valence orbital occupation of 3d transition metal complexes throughout the soft X-ray range.}, language = {en} } @article{AlbrechtWinkelmannLevermann2020, author = {Albrecht, Torsten and Winkelmann, Ricarda and Levermann, Anders}, title = {Glacial-cycle simulations of the Antarctic Ice Sheet with the Parallel Ice Sheet Model (PISM)}, series = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, volume = {14}, journal = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, number = {2}, publisher = {Copernicus Publ.}, address = {G{\"o}ttingen}, issn = {1994-0416}, doi = {10.5194/tc-14-633-2020}, pages = {633 -- 656}, year = {2020}, abstract = {The Parallel Ice Sheet Model (PISM) is applied to the Antarctic Ice Sheet over the last two glacial cycles (approximate to 210 000 years) with a resolution of 16 km. An ensemble of 256 model runs is analyzed in which four relevant model parameters have been systematically varied using full-factorial parameter sampling. Parameters and plausible parameter ranges have been identified in a companion paper (Albrecht et al., 2020) and are associated with ice dynamics, climatic forcing, basal sliding and bed deformation and represent distinct classes of model uncertainties. The model is scored against both modern and geologic data, including reconstructed grounding-line locations, elevation-age data, ice thickness, surface velocities and uplift rates. An aggregated score is computed for each ensemble member that measures the overall model-data misfit, including measurement uncertainty in terms of a Gaussian error model (Briggs and Tarasov, 2013). The statistical method used to analyze the ensemble simulation results follows closely the simple averaging method described in Pollard et al. (2016). This analysis reveals clusters of best-fit parameter combinations, and hence a likely range of relevant model and boundary parameters, rather than individual best-fit parameters. The ensemble of reconstructed histories of Antarctic Ice Sheet volumes provides a score-weighted likely range of sea-level contributions since the Last Glacial Maximum (LGM) of 9.4 +/- 4.1m (or 6.5 +/- 2.0 x 10(6) km(3)), which is at the upper range of most previous studies. The last deglaciation occurs in all ensemble simulations after around 12 000 years before present and hence after the meltwater pulse 1A (MWP1a). Our ensemble analysis also provides an estimate of parametric uncertainty bounds for the present-day state that can be used for PISM projections of future sea-level contributions from the Antarctic Ice Sheet.}, language = {en} } @article{LiXuLietal.2020, author = {Li, Hua and Xu, Yong and Li, Yongge and Metzler, Ralf}, title = {Transition path dynamics across rough inverted parabolic potential barrier}, series = {The European physical journal : Plus}, volume = {135}, journal = {The European physical journal : Plus}, number = {9}, publisher = {Springer}, address = {Berlin ; Heidelberg}, issn = {2190-5444}, doi = {10.1140/epjp/s13360-020-00752-7}, pages = {22}, year = {2020}, abstract = {Transition path dynamics have been widely studied in chemical, physical, and technological systems. Mostly, the transition path dynamics is obtained for smooth barrier potentials, for instance, generic inverse-parabolic shapes. We here present analytical results for the mean transition path time, the distribution of transition path times, the mean transition path velocity, and the mean transition path shape in a rough inverted parabolic potential function under the driving of Gaussian white noise. These are validated against extensive simulations using the forward flux sampling scheme in parallel computations. We observe how precisely the potential roughness, the barrier height, and the noise intensity contribute to the particle transition in the rough inverted barrier potential.}, language = {en} } @article{DevarapalliJagirdarPrasadetal.2020, author = {Devarapalli, Shanti Priya and Jagirdar, Rukmini and Prasad, Manjunath R. and Thomas, Vineet S. and Ahmed, Syed Aslam and Gralapally, Raghavendra and Das, Jesmin Permala Lohy}, title = {Comprehensive study of a neglected contact binary TYC 5532-1333-1}, series = {Monthly notices of the Royal Astronomical Society}, volume = {493}, journal = {Monthly notices of the Royal Astronomical Society}, number = {2}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa031}, pages = {1565 -- 1573}, year = {2020}, abstract = {A comprehensive photometric and spectroscopic analysis of the variable TYC 5532-1333-1 (TYC) along with an investigation of its orbital period variation is presented for the first time. The B- and V-band photometric study indicates that TYC is an intermediate contact binary with degree of contact and mass ratio of 34 per cent and similar to 0.24, respectively. The derived equivalent widths from the spectroscopic study of H alpha and Na-I lines reveal phase-dependent variation and mutual correlation. Using the available times of minimum light, an investigation of orbital period variation shows a long-term decrease at a rate of 3.98 x 10(-6) d yr(-1). Expected causes for such decline in the orbital period could be angular momentum loss and a quasi-sinusoidal variation due to light-time effect probably caused by a third-body companion. The minimum mass of the third body (M-3) was derived to be 0.65 M-circle dot. Our presented study is an attempt to evaluate and understand the evolutionary state of above-mentioned neglected contact binary.}, language = {en} } @article{TokmoldinHosseiniRaoufietal.2020, author = {Tokmoldin, Nurlan and Hosseini, Seyed Mehrdad and Raoufi, Meysam and Phuong, Le Quang and Sandberg, Oskar J. and Guan, Huilan and Zou, Yingping and Neher, Dieter and Shoaee, Safa}, title = {Extraordinarily long diffusion length in PM6:Y6 organic solar cells}, series = {Journal of materials chemistry : A, materials for energy and sustainability}, volume = {8}, journal = {Journal of materials chemistry : A, materials for energy and sustainability}, number = {16}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7488}, doi = {10.1039/d0ta03016c}, pages = {7854 -- 7860}, year = {2020}, abstract = {The PM6:Y6 bulk-heterojunction (BHJ) blend system achieves high short-circuit current (J(SC)) values in thick photovoltaic junctions. Here we analyse these solar cells to understand the observed independence of the short-circuit current upon photoactive layer thickness. We employ a range of optoelectronic measurements and analyses, including Mott-Schottky analysis, CELIV, photoinduced absorption spectroscopy, mobility measurements and simulations, to conclude that, the invariant photocurrent for the devices with different active layer thicknesses is associated with the Y6's diffusion length exceeding 300 nm in case of a 300 nm thick cell. This is despite unintentional doping that occurs in PM6 and the associated space-charge effect, which is expected to be even more profound upon photogeneration. This extraordinarily long diffusion length - which is an order of magnitude larger than typical values for organics - dominates transport in the flat-band region of thick junctions. Our work suggests that the performance of the doped PM6:Y6 organic solar cells resembles that of inorganic devices with diffusion transport playing a pivotal role. Ultimately, this is expected to be a key requirement for the fabrication of efficient, high-photocurrent, thick organic solar cells.}, language = {en} } @article{HajdukTodtHamannetal.2020, author = {Hajduk, Marcin and Todt, Helge Tobias and Hamann, Wolf-Rainer and Borek, Karolina and van Hoof, Peter A. M. and Zijlstra, Albert A.}, title = {The cooling-down central star of the planetary nebula SwSt 1}, series = {Monthly notices of the Royal Astronomical Society}, volume = {498}, journal = {Monthly notices of the Royal Astronomical Society}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa2274}, pages = {1205 -- 1220}, year = {2020}, abstract = {SwSt 1 (PN G001.5-06.7) is a bright and compact planetary nebula containing a late [WC]-type central star. Previous studies suggested that the nebular and stellar lines are slowly changing with time. We studied new and archival optical and ultraviolet spectra of the object. The [O III] 4959 and 5007 angstrom to H beta line flux ratios decreased between about 1976 and 1997/2015. The stellar spectrum also shows changes between these epochs. We modelled the stellar and nebular spectra observed at different epochs. The analyses indicate a drop of the stellar temperature from about 42 kK to 40.5 kK between 1976 and 1993. We do not detect significant changes between 1993 and 2015. The observations show that the star performed a loop in the H-R diagram. This is possible when a shell source is activated during its post-AGB evolution. We infer that a late thermal pulse (LTP) experienced by a massive post-AGB star can explain the evolution of the central star. Such a star does not expand significantly as the result of the LTP and does not became a born-again red giant. However, the released energy can remove the tiny H envelope of the star.}, language = {en} } @article{DinevaVermaGonzalezManriqueetal.2020, author = {Dineva, Ekaterina Ivanova and Verma, Meetu and Gonzalez Manrique, Sergio Javier and Schwartz, Pavol and Denker, Carsten}, title = {Cloud model inversions of strong chromospheric absorption lines using principal component analysis}, series = {Astronomische Nachrichten = Astronomical notes}, volume = {341}, journal = {Astronomische Nachrichten = Astronomical notes}, number = {1}, publisher = {Wiley-VCH Verl.}, address = {Berlin}, issn = {0004-6337}, doi = {10.1002/asna.202013652}, pages = {64 -- 78}, year = {2020}, abstract = {High-resolution spectroscopy of strong chromospheric absorption lines delivers nowadays several millions of spectra per observing day, when using fast scanning devices to cover large regions on the solar surface. Therefore, fast and robust inversion schemes are needed to explore the large data volume. Cloud model (CM) inversions of the chromospheric H alpha line are commonly employed to investigate various solar features including filaments, prominences, surges, jets, mottles, and (macro-) spicules. The choice of the CM was governed by its intuitive description of complex chromospheric structures as clouds suspended above the solar surface by magnetic fields. This study is based on observations of active region NOAA 11126 in H alpha, which were obtained November 18-23, 2010 with the echelle spectrograph of the vacuum tower telescope at the Observatorio del Teide, Spain. Principal component analysis reduces the dimensionality of spectra and conditions noise-stripped spectra for CM inversions. Modeled H alpha intensity and contrast profiles as well as CM parameters are collected in a database, which facilitates efficient processing of the observed spectra. Physical maps are computed representing the line-core and continuum intensity, absolute contrast, equivalent width, and Doppler velocities, among others. Noise-free spectra expedite the analysis of bisectors. The data processing is evaluated in the context of "big data," in particular with respect to automatic classification of spectra.}, language = {en} } @article{AlexoudiMallonnKelesetal.2020, author = {Alexoudi, Xanthippi and Mallonn, Matthias and Keles, Engin and Poppenh{\"a}ger, Katja and von Essen, Carolina and Strassmeier, Klaus}, title = {Role of the impact parameter in exoplanet transmission spectroscopy}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {640}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/202038080}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-605378}, pages = {9}, year = {2020}, abstract = {Context Transmission spectroscopy is a promising tool for the atmospheric characterization of transiting exoplanets. Because the planetary signal is faint, discrepancies have been reported regarding individual targets. Aims We investigate the dependence of the estimated transmission spectrum on deviations of the orbital parameters of the star-planet system that are due to the limb-darkening effects of the host star. We describe how the uncertainty on the orbital parameters translates into an uncertainty on the planetary spectral slope. Methods We created synthetic transit light curves in seven different wavelength bands, from the near-ultraviolet to the near-infrared, and fit them with transit models parameterized by fixed deviating values of the impact parameter b. First, we performed a qualitative study to illustrate the effect by presenting the changes in the transmission spectrum slope with different deviations of b. Then, we quantified these variations by creating an error envelope (for centrally transiting, off-center, and grazing systems) based on a derived typical uncertainty on b from the literature. Finally, we compared the variations in the transmission spectra for different spectral types of host stars. Results Our simulations show a wavelength-dependent offset that is more pronounced at the blue wavelengths where the limb-darkening effect is stronger. This offset introduces a slope in the planetary transmission spectrum that becomes steeper with increasing b values. Variations of b by positive or negative values within its uncertainty interval introduce positive or negative slopes, thus the formation of an error envelope. The amplitude from blue optical to near-infrared wavelength for a typical uncertainty on b corresponds to one atmospheric pressure scale height and more. This impact parameter degeneracy is confirmed for different host types; K stars present prominently steeper slopes, while M stars indicate features at the blue wavelengths. Conclusions We demonstrate that transmission spectra can be hard to interpret, basically because of the limitations in defining a precise impact parameter value for a transiting exoplanet. This consequently limits a characterization of its atmosphere.}, language = {en} } @article{YochelisBetaGov2020, author = {Yochelis, Arik and Beta, Carsten and Gov, Nir S.}, title = {Excitable solitons}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {101}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {2}, publisher = {American Physical Society}, address = {Melville, NY}, issn = {2470-0045}, doi = {10.1103/PhysRevE.101.022213}, pages = {6}, year = {2020}, abstract = {Excitable pulses are among the most widespread dynamical patterns that occur in many different systems, ranging from biological cells to chemical reactions and ecological populations. Traditionally, the mutual annihilation of two colliding pulses is regarded as their prototypical signature. Here we show that colliding excitable pulses may exhibit solitonlike crossover and pulse nucleation if the system obeys a mass conservation constraint. In contrast to previous observations in systems without mass conservation, these alternative collision scenarios are robustly observed over a wide range of parameters. We demonstrate our findings using a model of intracellular actin waves since, on time scales of wave propagations over the cell scale, cells obey conservation of actin monomers. The results provide a key concept to understand the ubiquitous occurrence of actin waves in cells, suggesting why they are so common, and why their dynamics is robust and long-lived.}, language = {en} } @article{FosterPoppenhaegerAlvaradoGomezetal.2020, author = {Foster, Mary Grace and Poppenh{\"a}ger, Katja and Alvarado-G{\´o}mez, Juli{\´a}n David and Schmitt, J{\"u}rgen}, title = {The corona of GJ 1151 in the context of star-planet interaction}, series = {Monthly notices of the Royal Astronomical Society}, volume = {497}, journal = {Monthly notices of the Royal Astronomical Society}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa1982}, pages = {1015 -- 1019}, year = {2020}, abstract = {The low-mass star GJ 1151 has been reported to display variable low-frequency radio emission, which has been interpreted as a signpost of coronal star-planet interactions with an unseen exoplanet. Here we report the first X-ray detection of GJ 1151's corona based on the XMM-Newton data. We find that the star displays a small flare during the X-ray observation. Averaged over the observation, we detect the star with a low coronal temperature of 1.6 MK and an X-ray luminosity of L-X = 5.5 x 10(26) erg s(-1). During the quiescent time periods excluding the flare, the star remains undetected with an upper limit of L-X,L- qui <= 3.7 x 10(26) erg s(-1). This is compatible with the coronal assumptions used in a recently published model for a star-planet interaction origin of the observed radio signals from this star.}, language = {en} } @article{VinkeGabryschPaolettietal.2020, author = {Vinke, Kira and Gabrysch, Sabine and Paoletti, Emanuela and Rockstr{\"o}m, Johan and Schellnhuber, Hans Joachim}, title = {Corona and the climate}, series = {Global sustainability}, volume = {3}, journal = {Global sustainability}, publisher = {Cambridge Univ. Press}, address = {Cambridge}, issn = {2059-4798}, doi = {10.1017/sus.2020.20}, pages = {7}, year = {2020}, abstract = {Lessons from the corona crisis can help manage the even more daunting challenge of anthropogenic global warming.}, language = {en} } @article{EmanuelCherstvyMetzleretal.2020, author = {Emanuel, Marc D. and Cherstvy, Andrey G. and Metzler, Ralf and Gompper, Gerhard}, title = {Buckling transitions and soft-phase invasion of two-component icosahedral shells}, series = {Physical review / publ. by The American Physical Society. E, Statistical, nonlinear, and soft matter physics}, volume = {102}, journal = {Physical review / publ. by The American Physical Society. E, Statistical, nonlinear, and soft matter physics}, number = {6}, publisher = {Woodbury}, address = {New York}, issn = {2470-0045}, doi = {10.1103/PhysRevE.102.062104}, pages = {26}, year = {2020}, abstract = {What is the optimal distribution of two types of crystalline phases on the surface of icosahedral shells, such as of many viral capsids? We here investigate the distribution of a thin layer of soft material on a crystalline convex icosahedral shell. We demonstrate how the shapes of spherical viruses can be understood from the perspective of elasticity theory of thin two-component shells. We develop a theory of shape transformations of an icosahedral shell upon addition of a softer, but still crystalline, material onto its surface. We show how the soft component "invades" the regions with the highest elastic energy and stress imposed by the 12 topological defects on the surface. We explore the phase diagram as a function of the surface fraction of the soft material, the shell size, and the incommensurability of the elastic moduli of the rigid and soft phases. We find that, as expected, progressive filling of the rigid shell by the soft phase starts from the most deformed regions of the icosahedron. With a progressively increasing soft-phase coverage, the spherical segments of domes are filled first (12 vertices of the shell), then the cylindrical segments connecting the domes (30 edges) are invaded, and, ultimately, the 20 flat faces of the icosahedral shell tend to be occupied by the soft material. We present a detailed theoretical investigation of the first two stages of this invasion process and develop a model of morphological changes of the cone structure that permits noncircular cross sections. In conclusion, we discuss the biological relevance of some structures predicted from our calculations, in particular for the shape of viral capsids.}, language = {en} } @article{MishurovaBrunoEvsevleevetal.2020, author = {Mishurova, Tatiana and Bruno, Giovanni and Evsevleev, Sergei and Sevostianov, Igor}, title = {Determination of macroscopic stress from diffraction experiments}, series = {Journal of applied physics}, volume = {128}, journal = {Journal of applied physics}, number = {2}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-8979}, doi = {10.1063/5.0009101}, pages = {14}, year = {2020}, abstract = {The paper is motivated by some inconsistencies and contradictions present in the literature on the calculation of the so-called diffraction elastic constants. In an attempt at unifying the views that the two communities of Materials Science and Mechanics of Materials have on the subject, we revisit and define the terminology used in the field. We also clarify the limitations of the commonly used approaches and show that a unified methodology is also applicable to textured materials with a nearly arbitrary grain shape. We finally compare the predictions based on this methodology with experimental data obtained by in situ synchrotron radiation diffraction on additively manufactured Ti-6Al-4V alloy. We show that (a) the transverse isotropy of the material yields good agreement between the best-fit isotropy approximation (equivalent to the classic Kroner's model) and the experimental data and (b) the use of a general framework allows the calculation of all components of the tensor of diffraction elastic constants, which are not easily measurable by diffraction methods. This allows us to extend the current state-of-the-art with a predictive tool.}, language = {en} } @article{MejiaMonasterioMetzlerVollmer2020, author = {Mejia-Monasterio, Carlos and Metzler, Ralf and Vollmer, J{\"u}rgen}, title = {Editorial: anomalous transport}, series = {Frontiers in Physics}, volume = {8}, journal = {Frontiers in Physics}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-424X}, doi = {10.3389/fphy.2020.622417}, pages = {4}, year = {2020}, language = {en} } @article{MeyerPetrovPohl2020, author = {Meyer, Dominique M.-A. and Petrov, Mykola and Pohl, Martin}, title = {Wind nebulae and supernova remnants of very massive stars}, series = {Monthly notices of the Royal Astronomical Society}, volume = {493}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa554}, pages = {3548 -- 3564}, year = {2020}, abstract = {A very small fraction of (runaway) massive stars have masses exceeding 60-70 M-circle dot and are predicted to evolve as luminous blue variable and Wolf-Rayet stars before ending their lives as core-collapse supernovae. Our 2D axisymmetric hydrodynamical simulations explore how a fast wind (2000 km s(-1)) and high mass-loss rate (10(-5)M(circle dot) yr(-1)) can impact the morphology of the circumstellar medium. It is shaped as 100 pc-scale wind nebula that can be pierced by the driving star when it supersonically moves with velocity 20-40 km s(-1) through the interstellar medium (ISM) in the Galactic plane. The motion of such runaway stars displaces the position of the supernova explosion out of their bow shock nebula, imposing asymmetries to the eventual shock wave expansion and engendering Cygnus-loop-like supernova remnants. We conclude that the size (up to more than 200 pc) of the filamentary wind cavity in which the chemically enriched supernova ejecta expand, mixing efficiently the wind and ISM materials by at least 10 per cent in number density, can be used as a tracer of the runaway nature of the very massive progenitors of such 0.1Myr old remnants. Our results motivate further observational campaigns devoted to the bow shock of the very massive stars BD+43 degrees 3654 and to the close surroundings of the synchrotron-emitting Wolf-Rayet shell G2.4+1.4.}, language = {en} } @article{SandevIominKocarev2020, author = {Sandev, Trifce and Iomin, Alexander and Kocarev, Ljupco}, title = {Hitting times in turbulent diffusion due to multiplicative noise}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {102}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {4}, publisher = {American Institute of Physics}, address = {Woodbury, NY}, issn = {2470-0045}, doi = {10.1103/PhysRevE.102.042109}, pages = {10}, year = {2020}, abstract = {We study a distribution of times of the first arrivals to absorbing targets in turbulent diffusion, which is due to a multiplicative noise. Two examples of dynamical systems with a multiplicative noise are studied. The first one is a random process according to inhomogeneous diffusion, which is also known as a geometric Brownian motion in the Black-Scholes model. The second model is due to a random processes on a two-dimensional comb, where inhomogeneous advection is possible only along the backbone, while Brownian diffusion takes place inside the branches. It is shown that in both cases turbulent diffusion takes place as the one-dimensional random process with the log-normal distribution in the presence of absorbing targets, which are characterized by the Levy-Smirnov distribution for the first hitting times.}, language = {en} } @article{AldiyarovSokolovAkylbayevaetal.2020, author = {Aldiyarov, Abdurakhman and Sokolov, Dmitriy and Akylbayeva, Aigerim and Nurmukan, Assel and Tokmoldin, Nurlan}, title = {On thermal stability of cryovacuum deposited CH4+H2O films}, series = {Low temperature physics}, volume = {46}, journal = {Low temperature physics}, number = {11}, publisher = {American Institute of Physics}, address = {Melville}, issn = {1063-777X}, doi = {10.1063/10.0002156}, pages = {1121 -- 1124}, year = {2020}, abstract = {Whereas stable homogenous states of aqueous hydrocarbon solutions are typically observed at high temperatures and pressures far beyond the critical values corresponding to individual components, the stability of such system may be preserved upon transition into the region of metastable states at low temperatures and low pressures. This work is dedicated to the study of the thermal stability of a water-methane mixture formed by cryogenic vapor phase deposition. The obtained thin films were studied using vibrational spectroscopy in the temperature range of 16-180 K. During thermal annealing of the samples, characteristic vibrational C-H modes of methane were monitored alongside the chamber pressure to register both structural changes and desorption of the film material. The obtained results reveal that upon the co-deposition of methane and water, methane molecules appear both in non-bound and trapped states. The observed broadening of the characteristic C-H stretching mode at 3010 cm(-1) upon an increase in temperature of the sample from 16 to 90 K, followed by narrowing of the peak as the temperature is reduced back to 16 K, indicates localization of methane molecules within the water matrix at lower temperatures.}, language = {en} } @article{GlanemannWillnerLevermann2020, author = {Glanemann, Nicole and Willner, Sven N. and Levermann, Anders}, title = {Paris Climate Agreement passes the cost-benefit test}, series = {Nature Communications}, volume = {11}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-019-13961-1}, pages = {11}, year = {2020}, abstract = {The Paris Climate Agreement aims to keep temperature rise well below 2 degrees C. This implies mitigation costs as well as avoided climate damages. Here we show that independent of the normative assumptions of inequality aversion and time preferences, the agreement constitutes the economically optimal policy pathway for the century. To this end we consistently incorporate a damage-cost curve reproducing the observed relation between temperature and economic growth into the integrated assessment model DICE. We thus provide an intertemporally optimizing cost-benefit analysis of this century's climate problem. We account for uncertainties regarding the damage curve, climate sensitivity, socioeconomic future, and mitigation costs. The resulting optimal temperature is robust as can be understood from the generic temperature-dependence of the mitigation costs and the level of damages inferred from the observed temperature-growth relationship. Our results show that the politically motivated Paris Climate Agreement also represents the economically favourable pathway, if carried out properly.}, language = {en} } @article{WilhelmTelezhinskyDwarkadasetal.2020, author = {Wilhelm, Alina and Telezhinsky, Igor and Dwarkadas, Vikram V. and Pohl, Martin}, title = {Stochastic re-acceleration and magnetic-field damping in Tycho's supernova remnant}, series = {Astronomy and astrophysics}, volume = {639}, journal = {Astronomy and astrophysics}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/201936079}, pages = {14}, year = {2020}, abstract = {Context. Tycho's supernova remnant (SNR) is associated with the historical supernova (SN) event SN 1572 of Type Ia. The explosion occurred in a relatively clean environment, and was visually observed, providing an age estimate. This SNR therefore represents an ideal astrophysical test-bed for the study of cosmic-ray acceleration and related phenomena. A number of studies suggest that shock acceleration with particle feedback and very efficient magnetic-field amplification combined with Alfvenic drift are needed to explain the rather soft radio spectrum and the narrow rims observed in X-rays. Aims. We show that the broadband spectrum of Tycho's SNR can alternatively be well explained when accounting for stochastic acceleration as a secondary process. The re-acceleration of particles in the turbulent region immediately downstream of the shock should be efficient enough to impact particle spectra over several decades in energy. The so-called Alfvenic drift and particle feedback on the shock structure are not required in this scenario. Additionally, we investigate whether synchrotron losses or magnetic-field damping play a more profound role in the formation of the non-thermal filaments. Methods. We solved the full particle transport equation in test-particle mode using hydrodynamic simulations of the SNR plasma flow. The background magnetic field was either computed from the induction equation or follows analytic profiles, depending on the model considered. Fast-mode waves in the downstream region provide the diffusion of particles in momentum space. Results. We show that the broadband spectrum of Tycho can be well explained if magnetic-field damping and stochastic re-acceleration of particles are taken into account. Although not as efficient as standard diffusive shock acceleration, stochastic acceleration leaves its imprint on the particle spectra, which is especially notable in the emission at radio wavelengths. We find a lower limit for the post-shock magnetic-field strength similar to 330 mu G, implying efficient amplification even for the magnetic-field damping scenario. Magnetic-field damping is necessary for the formation of the filaments in the radio range, while the X-ray filaments are shaped by both the synchrotron losses and magnetic-field damping.}, language = {en} } @article{WunderlingWilleitDongesetal.2020, author = {Wunderling, Nico and Willeit, Matteo and Donges, Jonathan and Winkelmann, Ricarda}, title = {Global warming due to loss of large ice masses and Arctic summer sea ice}, series = {Nature Communications}, volume = {11}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group}, address = {Berlin}, issn = {2041-1723}, doi = {10.1038/s41467-020-18934-3}, pages = {14}, year = {2020}, abstract = {Several large-scale cryosphere elements such as the Arctic summer sea ice, the mountain glaciers, the Greenland and West Antarctic Ice Sheet have changed substantially during the last century due to anthropogenic global warming. However, the impacts of their possible future disintegration on global mean temperature (GMT) and climate feedbacks have not yet been comprehensively evaluated. Here, we quantify this response using an Earth system model of intermediate complexity. Overall, we find a median additional global warming of 0.43 degrees C (interquartile range: 0.39-0.46 degrees C) at a CO2 concentration of 400 ppm. Most of this response (55\%) is caused by albedo changes, but lapse rate together with water vapour (30\%) and cloud feedbacks (15\%) also contribute significantly. While a decay of the ice sheets would occur on centennial to millennial time scales, the Arctic might become ice-free during summer within the 21st century. Our findings imply an additional increase of the GMT on intermediate to long time scales. The disintegration of cryosphere elements such as the Arctic summer sea ice, mountain glaciers, Greenland and West Antarctica is associated with temperature and radiative feedbacks. In this work, the authors quantify these feedbacks and find an additional global warming of 0.43 degrees C.}, language = {en} } @article{RuedigerKuekerKaepylae2020, author = {R{\"u}diger, G{\"u}nther and K{\"u}ker, Manfred and K{\"a}pyl{\"a}, Petri J.}, title = {Electrodynamics of turbulent fluids with fluctuating electric conductivity}, series = {Journal of plasma physics}, volume = {86}, journal = {Journal of plasma physics}, number = {3}, publisher = {Cambridge Univ. Press}, address = {London}, issn = {0022-3778}, doi = {10.1017/S0022377820000665}, pages = {14}, year = {2020}, abstract = {Consequences of fluctuating microscopic conductivity in mean-field electrodynamics of turbulent fluids are formulated and discussed. If the conductivity fluctuations are assumed to be uncorrelated with the velocity fluctuations then only the turbulence-originated magnetic diffusivity of the fluid is reduced and the decay time of a large-scale magnetic field or the cycle times of oscillating turbulent dynamo models are increased. If, however, the fluctuations of conductivity and flow in a certain well-defined direction are correlated, an additional diamagnetic pumping effect results, transporting the magnetic field in the opposite direction to the diffusivity flux vector . In the presence of global rotation, even for homogeneous turbulence fields, an alpha effect appears. If the characteristic values of the outer core of the Earth or the solar convection zone are applied, the dynamo number of the new alpha effect does not reach supercritical values to operate as an alpha(2)-dynamo but oscillating alpha Omega-dynamos with differential rotation are not excluded.}, language = {en} } @article{KulgemeyerBorowskiBuschhueteretal.2020, author = {Kulgemeyer, Christoph and Borowski, Andreas and Buschh{\"u}ter, David and Enkrott, Patrick and Kempin, Maren and Reinhold, Peter and Riese, Josef and Schecker, Horst and Schr{\"o}der, Jan and Vogelsang, Christoph}, title = {Professional knowledge affects action-related skills}, series = {Journal of research in science teaching : the official journal of the National Association for Research in Science Teaching}, volume = {57}, journal = {Journal of research in science teaching : the official journal of the National Association for Research in Science Teaching}, number = {10}, publisher = {Wiley}, address = {Hoboken}, issn = {0022-4308}, doi = {10.1002/tea.21632}, pages = {1554 -- 1582}, year = {2020}, abstract = {Professional knowledge is an important source of science teachers' actions in the classroom (e.g., personal professional content knowledge [pedagogical content knowledge, PCK] is the source of enacted PCK in the refined consensus model [RCM] for PCK). However, the evidence for this claim is ambiguous at best. This study applied a cross-lagged panel design to examine the relationship between professional knowledge and actions in one particular instructional situation: explaining physics. Pre- and post a field experience (one semester), 47 preservice physics teachers from four different universities were tested for their content knowledge (CK), PCK, pedagogical knowledge (PK), and action-related skills in explaining physics. The study showed that joint professional knowledge (the weighted sum of CK, PCK, and PK scores) at the beginning of the field experience impacted the development of explaining skills during the field experience (beta = .38**). We interpret this as a particular relationship between professional knowledge and science teachers' action-related skills (enacted PCK): professional knowledge is necessary for the development of explaining skills. That is evidence that personal PCK affects enacted PCK. In addition, field experiences are often supposed to bridge the theory-practice gap by transforming professional knowledge into instructional practice. Our results suggest that for field experiences to be effective, preservice teachers should start with profound professional knowledge.}, language = {en} } @article{MontesHofnerOskinovaetal.2020, author = {Montes, Virginie A. and Hofner, Peter and Oskinova, Lida and Linz, Hendrik}, title = {A Chandra X-Ray and infrared study of the stellar population in the high-mass star-forming region IRAS 16562-3959}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {888}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {2}, publisher = {Institute of Physics Publ.}, address = {London}, issn = {0004-637X}, doi = {10.3847/1538-4357/ab59cf}, pages = {15}, year = {2020}, abstract = {We present the results from Chandra X-ray observations, and near- and mid-infrared analysis, using VISTA/VVV and Spitzer/GLIMPSE catalogs, of the high-mass star-forming region IRAS 16562-3959, which contains a candidate for a high-mass protostar. We detected 249 X-ray sources within the ACIS-I field of view. The majority of the X-ray sources have low count rates (<0.638 cts/ks) and hard X-ray spectra. The search for YSOs in the region using VISTA/VVV and Spitzer/GLIMPSE catalogs resulted in a total of 636 YSOs, with 74 Class I and 562 Class II YSOs. The search for near- and mid-infrared counterparts of the X-ray sources led to a total of 165 VISTA/VVV counterparts, and a total of 151 Spitzer/GLIMPSE counterparts. The infrared analysis of the X-ray counterparts allowed us to identify an extra 91 Class III YSOs associated with the region. We conclude that a total of 727 YSOs are associated with the region, with 74 Class I, 562 Class II, and 91 Class III YSOs. We also found that the region is composed of 16 subclusters. In the vicinity of the high-mass protostar, the stellar distribution has a core-halo structure. The subcluster containing the high-mass protostar is the densest and the youngest in the region, and the high-mass protostar is located at its center. The YSOs in this cluster appear to be substantially older than the high-mass protostar.}, language = {en} } @article{GarbeAlbrechtLevermannetal.2020, author = {Garbe, Julius and Albrecht, Torsten and Levermann, Anders and Donges, Jonathan and Winkelmann, Ricarda}, title = {The hysteresis of the Antarctic Ice Sheet}, series = {Nature : the international weekly journal of science}, volume = {585}, journal = {Nature : the international weekly journal of science}, number = {7826}, publisher = {Macmillan Publishers Limited}, address = {Berlin}, issn = {0028-0836}, doi = {10.1038/s41586-020-2727-5}, pages = {538 -- 544}, year = {2020}, abstract = {More than half of Earth's freshwater resources are held by the Antarctic Ice Sheet, which thus represents by far the largest potential source for global sea-level rise under future warming conditions(1). Its long-term stability determines the fate of our coastal cities and cultural heritage. Feedbacks between ice, atmosphere, ocean, and the solid Earth give rise to potential nonlinearities in its response to temperature changes. So far, we are lacking a comprehensive stability analysis of the Antarctic Ice Sheet for different amounts of global warming. Here we show that the Antarctic Ice Sheet exhibits a multitude of temperature thresholds beyond which ice loss is irreversible. Consistent with palaeodata(2)we find, using the Parallel Ice Sheet Model(3-5), that at global warming levels around 2 degrees Celsius above pre-industrial levels, West Antarctica is committed to long-term partial collapse owing to the marine ice-sheet instability. Between 6 and 9 degrees of warming above pre-industrial levels, the loss of more than 70 per cent of the present-day ice volume is triggered, mainly caused by the surface elevation feedback. At more than 10 degrees of warming above pre-industrial levels, Antarctica is committed to become virtually ice-free. The ice sheet's temperature sensitivity is 1.3 metres of sea-level equivalent per degree of warming up to 2 degrees above pre-industrial levels, almost doubling to 2.4 metres per degree of warming between 2 and 6 degrees and increasing to about 10 metres per degree of warming between 6 and 9 degrees. Each of these thresholds gives rise to hysteresis behaviour: that is, the currently observed ice-sheet configuration is not regained even if temperatures are reversed to present-day levels. In particular, the West Antarctic Ice Sheet does not regrow to its modern extent until temperatures are at least one degree Celsius lower than pre-industrial levels. Our results show that if the Paris Agreement is not met, Antarctica's long-term sea-level contribution will dramatically increase and exceed that of all other sources.
Modelling shows that the Antarctic Ice Sheet exhibits multiple temperature thresholds beyond which ice loss would become irreversible, and once melted, the ice sheet can regain its previous mass only if the climate cools well below pre-industrial temperatures.}, language = {en} } @article{PerdigonToroZhangMarkinaetal.2020, author = {Perdig{\´o}n-Toro, Lorena and Zhang, Huotian and Markina, Anastaa si and Yuan, Jun and Hosseini, Seyed Mehrdad and Wolff, Christian Michael and Zuo, Guangzheng and Stolterfoht, Martin and Zou, Yingping and Gao, Feng and Andrienko, Denis and Shoaee, Safa and Neher, Dieter}, title = {Barrierless free charge generation in the high-performance PM6:Y6 bulk heterojunction non-fullerene solar cell}, series = {Advanced materials}, volume = {32}, journal = {Advanced materials}, number = {9}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0935-9648}, doi = {10.1002/adma.201906763}, pages = {9}, year = {2020}, abstract = {Organic solar cells are currently experiencing a second golden age thanks to the development of novel non-fullerene acceptors (NFAs). Surprisingly, some of these blends exhibit high efficiencies despite a low energy offset at the heterojunction. Herein, free charge generation in the high-performance blend of the donor polymer PM6 with the NFA Y6 is thoroughly investigated as a function of internal field, temperature and excitation energy. Results show that photocurrent generation is essentially barrierless with near-unity efficiency, regardless of excitation energy. Efficient charge separation is maintained over a wide temperature range, down to 100 K, despite the small driving force for charge generation. Studies on a blend with a low concentration of the NFA, measurements of the energetic disorder, and theoretical modeling suggest that CT state dissociation is assisted by the electrostatic interfacial field which for Y6 is large enough to compensate the Coulomb dissociation barrier.}, language = {en} } @article{PoppenhaegerKetzerMallonn2020, author = {Poppenh{\"a}ger, Katja and Ketzer, Laura and Mallonn, Matthias}, title = {X-ray irradiation and evaporation of the four young planets around V1298 Tau}, series = {Monthly notices of the Royal Astronomical Society}, volume = {500}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/staa1462}, pages = {4560 -- 4572}, year = {2020}, abstract = {Planets around young stars are thought to undergo atmospheric evaporation due to the high magnetic activity of the host stars. Here we report on X-ray observations of V1298 Tau, a young star with four transiting exoplanets. We use X-ray observations of the host star with Chandra and ROSAT to measure the current high-energy irradiation level of the planets and employ a model for the stellar activity evolution together with exoplanetary mass-loss to estimate the possible evolution of the planets. We find that V1298 Tau is X-ray bright with log L-X [erg s(-1)] = 30.1 and has a mean coronal temperature of approximate to 9 MK. This places the star amongst the more X-ray luminous ones at this stellar age. We estimate the radiation-driven mass-loss of the exoplanets and find that it depends sensitively on the possible evolutionary spin-down tracks of the star as well as on the current planetary densities. Assuming the planets are of low density due to their youth, we find that the innermost two planets can lose significant parts of their gaseous envelopes and could be evaporated down to their rocky cores depending on the stellar spin evolution. However, if the planets are heavier and follow the mass-radius relation of older planets, then even in the highest XUV irradiation scenario none of the planets is expected to cross the radius gap into the rocky regime until the system reaches an age of 5 Gyr.}, language = {en} } @article{ChigarevKazakovPikovsky2020, author = {Chigarev, Vladimir and Kazakov, Alexey and Pikovsky, Arkady}, title = {Kantorovich-Rubinstein-Wasserstein distance between overlapping attractor and repeller}, series = {Chaos : an interdisciplinary journal of nonlinear science}, volume = {30}, journal = {Chaos : an interdisciplinary journal of nonlinear science}, number = {7}, publisher = {American Institute of Physics}, address = {Melville}, issn = {1054-1500}, doi = {10.1063/5.0007230}, pages = {10}, year = {2020}, abstract = {We consider several examples of dynamical systems demonstrating overlapping attractor and repeller. These systems are constructed via introducing controllable dissipation to prototypic models with chaotic dynamics (Anosov cat map, Chirikov standard map, and incompressible three-dimensional flow of the ABC-type on a three-torus) and ergodic non-chaotic behavior (skew-shift map). We employ the Kantorovich-Rubinstein-Wasserstein distance to characterize the difference between the attractor and the repeller, in dependence on the dissipation level.}, language = {en} } @article{XuLiuLietal.2020, author = {Xu, Yong and Liu, Xuemei and Li, Yongge and Metzler, Ralf}, title = {Heterogeneous diffusion processes and nonergodicity with Gaussian colored noise in layered diffusivity landscapes}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {102}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.102.062106}, pages = {16}, year = {2020}, abstract = {Heterogeneous diffusion processes (HDPs) with space-dependent diffusion coefficients D(x) are found in a number of real-world systems, such as for diffusion of macromolecules or submicron tracers in biological cells. Here, we examine HDPs in quenched-disorder systems with Gaussian colored noise (GCN) characterized by a diffusion coefficient with a power-law dependence on the particle position and with a spatially random scaling exponent. Typically, D(x) is considered to be centerd at the origin and the entire x axis is characterized by a single scaling exponent a. In this work we consider a spatially random scenario: in periodic intervals ("layers") in space D(x) is centerd to the midpoint of each interval. In each interval the scaling exponent alpha is randomly chosen from a Gaussian distribution. The effects of the variation of the scaling exponents, the periodicity of the domains ("layer thickness") of the diffusion coefficient in this stratified system, and the correlation time of the GCN are analyzed numerically in detail. We discuss the regimes of superdiffusion, subdiffusion, and normal diffusion realisable in this system. We observe and quantify the domains where nonergodic and non-Gaussian behaviors emerge in this system. Our results provide new insights into the understanding of weak ergodicity breaking for HDPs driven by colored noise, with potential applications in quenched layered systems, typical model systems for diffusion in biological cells and tissues, as well as for diffusion in geophysical systems.}, language = {en} } @article{FernandezBrunoGarcesetal.2020, author = {Fernandez, Ricardo and Bruno, Giovanni and Garces, Gerardo and Nieto-Luis, H. and Gonzalez-Doncel, Gaspar}, title = {Fractional brownian motion of dislocations during creep deformation of metals}, series = {Materials science \& engineering. A, Structural materials}, volume = {796}, journal = {Materials science \& engineering. A, Structural materials}, publisher = {Elsevier}, address = {Lausanne}, issn = {0921-5093}, doi = {10.1016/j.msea.2020.140013}, pages = {8}, year = {2020}, abstract = {The present work offers an explanation on how the long-range interaction of dislocations influences their movement, and therefore the strain, during creep of metals. It is proposed that collective motion of dislocations can be described as a fractional Brownian motion. This explains the noisy appearance of the creep strain signal as a function of time. Such signal is split into a deterministic and a stochastic part. These terms can be related to two kinds of dislocation motions: individual and collective, respectively. The description is consistent with the fractal nature of strain-induced dislocation structures predicated in previous works. Moreover, it encompasses the evolution of the strain rate during all stages of creep, including the tertiary one. Creep data from Al99.8\% and Al3.85\%Mg tested at different temperatures and stresses are used to validate the proposed ideas: it is found that different creep stages present different diffusion characters, and therefore different dislocation motion character.}, language = {en} } @article{PetreskadeCastroSandevetal.2020, author = {Petreska, Irina and de Castro, Antonio S. M. and Sandev, Trifce and Lenzi, Ervin K.}, title = {The time-dependent Schr{\"o}dinger equation in non-integer dimensions for constrained quantum motion}, series = {Modern physics letters : A, Particles and fields, gravitation, cosmology, nuclear physics}, volume = {384}, journal = {Modern physics letters : A, Particles and fields, gravitation, cosmology, nuclear physics}, number = {34}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0375-9601}, doi = {10.1016/j.physleta.2020.126866}, pages = {9}, year = {2020}, abstract = {We propose a theoretical model, based on a generalized Schroedinger equation, to study the behavior of a constrained quantum system in non-integer, lower than two-dimensional space. The non-integer dimensional space is formed as a product space X x Y, comprising x-coordinate with a Hausdorff measure of dimension alpha(1) = D -1 (1 < D < 2) and y-coordinate with the Lebesgue measure of dimension of length (alpha(2) = 1). Geometric constraints are set at y = 0. Two different approaches to find the Green's function are employed, both giving the same form in terms of the Fox H-function. For D = 2, the solution for two-dimensional quantum motion on a comb is recovered. (C) 2020 Elsevier B.V. All rights reserved.}, language = {en} } @article{MazzioKojdaRubioGoveaetal.2020, author = {Mazzio, Katherine A. and Kojda, Sandrino Danny and Rubio-Govea, Rodrigo and Niederhausen, Jens and Ryll, Britta and Raja-Thulasimani, Monika and Habicht, Klaus and Raoux, Simone}, title = {P-type-to-n-type transition in hybrid AgxTe/PEDOT:PSS thermoelectric materials via stoichiometric control during solution-based synthesis}, series = {ACS applied energy materials}, volume = {3}, journal = {ACS applied energy materials}, number = {11}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01774}, pages = {10734 -- 10743}, year = {2020}, abstract = {This work demonstrates the production of high-performing p- type and n-type hybrid AgxTe/poly(3,4-ethylenedioxythiopene):polystyrene sulfonic acid (PE-DOT:PSS) thermoelectric materials from the same Te/PEDOT:PSS parent structure during aqueous-based synthesis. All samples were solution-processed and analyzed in thin- film architectures. We were able to demonstrate a power factor of 44 mu W m(-1) K-2 for our highest-performing n-type material. In addition, we were also able to realize a 68\% improvement in the power factor of our p-type compositions relative to the parent structure through manipulation of the inorganic nanostructure composition. We demonstrate control over the thermoelectric properties by varying the stoichiometry of AgxTe nanoparticles in AgxTe/PEDOT:PSS hybrid materials via a topotactic chemical transformation process at room temperature. This process offers a simple, low-temperature, and cost-effective route toward the production of both efficient n-type and p-type hybrid thermoelectric materials.}, language = {en} } @article{LaquaiMuellerSchneideretal.2020, author = {Laquai, Rene and M{\"u}ller, Bernd R. and Schneider, Judith Ann and Kupsch, Andreas and Bruno, Giovanni}, title = {Using SXRR to probe the nature of discontinuities in SLM additive manufactured inconel 718 specimens}, series = {Metallurgical and Materials Transactions A}, volume = {51}, journal = {Metallurgical and Materials Transactions A}, number = {8}, publisher = {Springer}, address = {New York}, issn = {1073-5623}, doi = {10.1007/s11661-020-05847-5}, pages = {4146 -- 4157}, year = {2020}, abstract = {The utilization of additive manufacturing (AM) to fabricate robust structural components relies on understanding the nature of internal anomalies or discontinuities, which can compromise the structural integrity. While some discontinuities in AM microstructures stem from similar mechanisms as observed in more traditional processes such as casting, others are unique to the AM process. Discontinuities in AM are challenging to detect, due to their submicron size and orientation dependency. Toward the goal of improving structural integrity, minimizing discontinuities in an AM build requires an understanding of the mechanisms of formation to mitigate their occurrence. This study utilizes various techniques to evaluate the shape, size, nature and distribution of discontinuities in AM Inconel 718, in a non-hot isostatic pressed (HIPed) as-built, non-HIPed and direct age, and HIPed with two step age samples. Non-destructive synchrotron radiation refraction and transmission radiography (SXRR) provides additional information beyond that obtained with destructive optical microscopy. SXRR was able to distinguish between voids, cracks and lack of melt in, due to its sensitivity to the orientation of the discontinuity.}, language = {en} } @article{EberhardSchaikSchibalskietal.2020, author = {Eberhard, Julius and Schaik, N. Loes M. B. and Schibalski, Anett and Gr{\"a}ff, Thomas}, title = {Simulating future salinity dynamics in a coastal marshland under different climate scenarios}, series = {Vadose zone journal}, volume = {19}, journal = {Vadose zone journal}, number = {1}, publisher = {Wiley}, address = {Hoboken}, issn = {1539-1663}, doi = {10.1002/vzj2.20008}, pages = {15}, year = {2020}, abstract = {Salinization is a well-known problem in agricultural areas worldwide. In the last 20-30 yr, rising salinity in the upper, unconfined aquifer has been observed in the Freepsumer Meer, a grassland near the German North Sea coast. For investigating long-term development of salinity and water balance during 1961-2099, the one-dimensional Soil-Water-Atmosphere-Plant (SWAP) model was set up and calibrated for a soil column in the area. The model setup involves a deep aquifer as the source of salt through upward seepage. In the vertical salt transport equation, dispersion and advection are included. Six different regional outputs of statistical downscaling methods were used as climate scenarios. These comprise different rates of increasing surface temperature and different trends in seasonal rainfall. The simulation results exhibit opposing salinity trends for topsoil and deeper layers. Although projections of some scenarios entail decreasing salinities near the surface, most of them project a rise in subsoil salinity, with the strongest trends of up to +0.9 mg cm(-3) 100 yr(-1) at -65 cm. The results suggest that topsoil salinity trends in the study area are affected by the magnitude of winter rainfall trends, whereas high subsoil salinities correspond to low winter rainfall and high summer temperature. How these projected trends affect the vegetation and thereby future land use will depend on the future management of groundwater levels in the area.}, language = {en} } @article{HolmesAndersMintert2020, author = {Holmes, Zoe and Anders, Janet and Mintert, Florian}, title = {Enhanced energy transfer to an optomechanical piston from indistinguishable photons}, series = {Physical review letters}, volume = {124}, journal = {Physical review letters}, number = {21}, publisher = {American Physical Society}, address = {College Park, Md.}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.124.210601}, pages = {6}, year = {2020}, abstract = {Thought experiments involving gases and pistons, such as Maxwell's demon and Gibbs' mixing, are central to our understanding of thermodynamics. Here, we present a quantum thermodynamic thought experiment in which the energy transfer from two photonic gases to a piston membrane grows quadratically with the number of photons for indistinguishable gases, while it grows linearly for distinguishable gases. This signature of bosonic bunching may be observed in optomechanical experiments, highlighting the potential of these systems for the realization of thermodynamic thought experiments in the quantum realm.}, language = {en} }