@article{ChenMuellerPrinzetal.2020, author = {Chen, Cong and M{\"u}ller, Bernd R. and Prinz, Carsten and Stroh, Julia and Feldmann, Ines and Bruno, Giovanni}, title = {The correlation between porosity characteristics and the crystallographic texture in extruded stabilized aluminium titanate for diesel particulate filter applications}, series = {Journal of the European Ceramic Society}, volume = {40}, journal = {Journal of the European Ceramic Society}, number = {4}, publisher = {Elsevier}, address = {Oxford}, issn = {0955-2219}, doi = {10.1016/j.jeurceramsoc.2019.11.076}, pages = {1592 -- 1601}, year = {2020}, abstract = {Porous ceramic diesel particulate filters (DPFs) are extruded products that possess macroscopic anisotropic mechanical and thermal properties. This anisotropy is caused by both morphological features (mostly the orientation of porosity) and crystallographic texture. We systematically studied those two aspects in two aluminum titanate ceramic materials of different porosity using mercury porosimetry, gas adsorption, electron microscopy, X-ray diffraction, and X-ray refraction radiography. We found that a lower porosity content implies a larger isotropy of both the crystal texture and the porosity orientation. We also found that, analogous to cordierite, crystallites do align with their axis of negative thermal expansion along the extrusion direction. However, unlike what found for cordierite, the aluminium titanate crystallite form is such that a more pronounced (0 0 2) texture along the extrusion direction implies porosity aligned perpendicular to it.}, language = {en} } @article{ChenLangeAndjelkovicetal.2020, author = {Chen, Junchao and Lange, Thomas and Andjelkovic, Milos and Simevski, Aleksandar and Krstić, Miloš}, title = {Prediction of solar particle events with SRAM-based soft error rate monitor and supervised machine learning}, series = {Microelectronics reliability}, volume = {114}, journal = {Microelectronics reliability}, publisher = {Elsevier}, address = {Oxford}, issn = {0026-2714}, doi = {10.1016/j.microrel.2020.113799}, pages = {6}, year = {2020}, abstract = {This work introduces an embedded approach for the prediction of Solar Particle Events (SPEs) in space applications by combining the real-time Soft Error Rate (SER) measurement with SRAM-based detector and the offline trained machine learning model. The proposed approach is intended for the self-adaptive fault-tolerant multiprocessing systems employed in space applications. With respect to the state-of-the-art, our solution allows for predicting the SER 1 h in advance and fine-grained hourly tracking of SER variations during SPEs as well as under normal conditions. Therefore, the target system can activate the appropriate mechanisms for radiation hardening before the onset of high radiation levels. Based on the comparison of five different machine learning algorithms trained with the public space flux database, the preliminary results indicate that the best prediction accuracy is achieved with the recurrent neural network (RNN) with long short-term memory (LSTM).}, language = {en} } @misc{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 = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {2}, issn = {1866-8372}, doi = {10.25932/publishup-51972}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-519720}, pages = {22}, 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{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{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} } @phdthesis{Christ2020, author = {Christ, Simon}, title = {Morphological transitions of vesicles exposed to nonuniform spatio-temporal conditions}, doi = {10.25932/publishup-48078}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-480788}, school = {Universit{\"a}t Potsdam}, pages = {viii, 105}, year = {2020}, abstract = {Giant unilamellar vesicles are an important tool in todays experimental efforts to understand the structure and behaviour of biological cells. Their simple structure allows the isolation of the physical elastic properties of the lipid membrane. A central physical property is the bending energy of the membrane, since the many different shapes of giant vesicles can be obtained by finding the minimum of the bending energy. In the spontaneous curvature model the bending energy is a function of the bending rigidity as well as the mean curvature and an additional parameter called the spontaneous curvature, which describes an internal preference of the lipid-bilayer to bend towards one side or the other. The spontaneous and mean curvature are local properties of the membrane. Additional constraints arise from the conservation of the membrane surface area and the enclosed volume, which are global properties. In this thesis the spontaneous curvature model is used to explain the experimental observation of a periodic shape oscillation of a giant unilamellar vesicle that was filled with a protein complex that periodically binds to and unbinds from the membrane. By assuming that the binding of the proteins to the membrane induces a change in the spontaneous curvature the experimentally observed shapes could successfully be explained. This involves the numerical solution of the differential equations as obtained from the minimization of the bending energy respecting the area and volume constraints, the so called shape equations. Vice versa this approach can be used to estimate the spontaneous curvature from experimentally measurable quantities. The second topic of this thesis is the analysis of concentration gradients in rigid conic membrane compartments. Gradients of an ideal gas due to gravity and gradients generated by the directed stochastic movement of molecular motors along a microtubulus were considered. It was possible to calculate the free energy and the bending energy analytically for the ideal gas. In the case of the non-equilibrium system with molecular motors, the characteristic length of the density profile, the jam-length, and its dependency on the opening angle of the conic compartment have been calculated in the mean-field limit. The mean field results agree qualitatively with stochastic particle simulations.}, language = {en} } @misc{CiemerRehmKurthsetal.2020, author = {Ciemer, Catrin and Rehm, Lars and Kurths, J{\"u}rgen and Donner, Reik Volker and Winkelmann, Ricarda and Boers, Niklas}, title = {An early-warning indicator for Amazon droughts exclusively based on tropical Atlantic sea surface temperatures}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {9}, issn = {1866-8372}, doi = {10.25932/publishup-52586}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-525863}, pages = {12}, year = {2020}, abstract = {Droughts in tropical South America have an imminent and severe impact on the Amazon rainforest and affect the livelihoods of millions of people. Extremely dry conditions in Amazonia have been previously linked to sea surface temperature (SST) anomalies in the adjacent tropical oceans. Although the sources and impacts of such droughts have been widely studied, establishing reliable multi-year lead statistical forecasts of their occurrence is still an ongoing challenge. Here, we further investigate the relationship between SST and rainfall anomalies using a complex network approach. We identify four ocean regions which exhibit the strongest overall SST correlations with central Amazon rainfall, including two particularly prominent regions in the northern and southern tropical Atlantic. Based on the time-dependent correlation between SST anomalies in these two regions alone, we establish a new early-warning method for droughts in the central Amazon basin and demonstrate its robustness in hindcasting past major drought events with lead-times up to 18 months.}, language = {en} } @article{CiemerRehmKurthsetal.2020, author = {Ciemer, Catrin and Rehm, Lars and Kurths, J{\"u}rgen and Donner, Reik Volker and Winkelmann, Ricarda and Boers, Niklas}, title = {An early-warning indicator for Amazon droughts exclusively based on tropical Atlantic sea surface temperatures}, series = {Environmental Research Letters}, volume = {15}, journal = {Environmental Research Letters}, number = {9}, publisher = {IOP - Institute of Physics Publishing}, address = {Bristol}, pages = {10}, year = {2020}, abstract = {Droughts in tropical South America have an imminent and severe impact on the Amazon rainforest and affect the livelihoods of millions of people. Extremely dry conditions in Amazonia have been previously linked to sea surface temperature (SST) anomalies in the adjacent tropical oceans. Although the sources and impacts of such droughts have been widely studied, establishing reliable multi-year lead statistical forecasts of their occurrence is still an ongoing challenge. Here, we further investigate the relationship between SST and rainfall anomalies using a complex network approach. We identify four ocean regions which exhibit the strongest overall SST correlations with central Amazon rainfall, including two particularly prominent regions in the northern and southern tropical Atlantic. Based on the time-dependent correlation between SST anomalies in these two regions alone, we establish a new early-warning method for droughts in the central Amazon basin and demonstrate its robustness in hindcasting past major drought events with lead-times up to 18 months.}, language = {en} } @article{CrovettoHempelRusuetal.2020, author = {Crovetto, Andrea and Hempel, Hannes and Rusu, Marin and Choubrac, Leo and Kojda, Sandrino Danny and Habicht, Klaus and Unold, Thomas}, title = {Water adsorption enhances electrical conductivity in transparent p-type CuI}, series = {ACS applied materials \& interfaces}, volume = {12}, journal = {ACS applied materials \& interfaces}, number = {43}, publisher = {American Chemical Society}, address = {Washington, DC}, issn = {1944-8244}, doi = {10.1021/acsami.0c11040}, pages = {48741 -- 48747}, year = {2020}, abstract = {CuI has been recently rediscovered as a p-type transparent conductor with a high figure of merit. Even though many metal iodides are hygroscopic, the effect of moisture on the electrical properties of CuI has not been clarified. In this work, we observe a 2-fold increase in the conductivity of CuI after exposure to ambient humidity for 5 h, followed by slight long-term degradation. Simultaneously, the work function of CuI decreases by almost 1 eV, which can explain the large spread in the previously reported work function values. The conductivity increase is partially reversible and is maximized at intermediate humidity levels. On the basis of the large intragrain mobility measured by THz spectroscopy, we suggest that hydration of grain boundaries may be beneficial for the overall hole mobility.}, language = {en} } @phdthesis{Dahlke2020, author = {Dahlke, Sandro}, title = {Rapid climate changes in the arctic region of Svalbard}, doi = {10.25932/publishup-44554}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-445542}, school = {Universit{\"a}t Potsdam}, pages = {xv, 123}, year = {2020}, abstract = {Over the last decades, the Arctic regions of the earth have warmed at a rate 2-3 times faster than the global average- a phenomenon called Arctic Amplification. A complex, non-linear interplay of physical processes and unique pecularities in the Arctic climate system is responsible for this, but the relative role of individual processes remains to be debated. This thesis focuses on the climate change and related processes on Svalbard, an archipelago in the North Atlantic sector of the Arctic, which is shown to be a "hotspot" for the amplified recent warming during winter. In this highly dynamical region, both oceanic and atmospheric large-scale transports of heat and moisture interfere with spatially inhomogenous surface conditions, and the corresponding energy exchange strongly shapes the atmospheric boundary layer. In the first part, Pan-Svalbard gradients in the surface air temperature (SAT) and sea ice extent (SIE) in the fjords are quantified and characterized. This analysis is based on observational data from meteorological stations, operational sea ice charts, and hydrographic observations from the adjacent ocean, which cover the 1980-2016 period. It is revealed that typical estimates of SIE during late winter range from 40-50\% (80-90\%) in the western (eastern) parts of Svalbard. However, strong SAT warming during winter of the order of 2-3K per decade dictates excessive ice loss, leaving fjords in the western parts essentially ice-free in recent winters. It is further demostrated that warm water currents on the west coast of Svalbard, as well as meridional winds contribute to regional differences in the SIE evolution. In particular, the proximity to warm water masses of the West Spitsbergen Current can explain 20-37\% of SIE variability in fjords on west Svalbard, while meridional winds and associated ice drift may regionally explain 20-50\% of SIE variability in the north and northeast. Strong SAT warming has overruled these impacts in recent years, though. In the next part of the analysis, the contribution of large-scale atmospheric circulation changes to the Svalbard temperature development over the last 20 years is investigated. A study employing kinematic air-back trajectories for Ny-{\AA}lesund reveals a shift in the source regions of lower-troposheric air over time for both the winter and the summer season. In winter, air in the recent decade is more often of lower-latitude Atlantic origin, and less frequent of Arctic origin. This affects heat- and moisture advection towards Svalbard, potentially manipulating clouds and longwave downward radiation in that region. A closer investigation indicates that this shift during winter is associated with a strengthened Ural blocking high and Icelandic low, and contributes about 25\% to the observed winter warming on Svalbard over the last 20 years. Conversely, circulation changes during summer include a strengthened Greenland blocking high which leads to more frequent cold air advection from the central Arctic towards Svalbard, and less frequent air mass origins in the lower latitudes of the North Atlantic. Hence, circulation changes during winter are shown to have an amplifying effect on the recent warming on Svalbard, while summer circulation changes tend to mask warming. An observational case study using upper air soundings from the AWIPEV research station in Ny-{\AA}lesund during May-June 2017 underlines that such circulation changes during summer are associated with tropospheric anomalies in temperature, humidity and boundary layer height. In the last part of the analysis, the regional representativeness of the above described changes around Svalbard for the broader Arctic is investigated. Therefore, the terms in the diagnostic temperature equation in the Arctic-wide lower troposphere are examined for the Era-Interim atmospheric reanalysis product. Significant positive trends in diabatic heating rates, consistent with latent heat transfer to the atmosphere over regions of increasing ice melt, are found for all seasons over the Barents/Kara Seas, and in individual months in the vicinity of Svalbard. The above introduced warm (cold) advection trends during winter (summer) on Svalbard are successfully reproduced. Regarding winter, they are regionally confined to the Barents Sea and Fram Strait, between 70°-80°N, resembling a unique feature in the whole Arctic. Summer cold advection trends are confined to the area between eastern Greenland and Franz Josef Land, enclosing Svalbard.}, 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{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{ErlerRiebeBeitzetal.2020, author = {Erler, Alexander and Riebe, Daniel and Beitz, Toralf and L{\"o}hmannsr{\"o}ben, Hans-Gerd and Grothusheitkamp, Daniela and Kunz, Thomas and Methner, Frank-J{\"u}rgen}, title = {Characterization of volatile metabolites formed by molds on barley by mass and ion mobility spectrometry}, series = {Journal of mass spectrometr}, volume = {55}, journal = {Journal of mass spectrometr}, number = {5}, publisher = {Wiley}, address = {Hoboken}, issn = {1076-5174}, doi = {10.1002/jms.4501}, pages = {1 -- 10}, year = {2020}, abstract = {The contamination of barley by molds on the field or in storage leads to the spoilage of grain and the production of mycotoxins, which causes major economic losses in malting facilities and breweries. Therefore, on-site detection of hidden fungus contaminations in grain storages based on the detection of volatile marker compounds is of high interest. In this work, the volatile metabolites of 10 different fungus species are identified by gas chromatography (GC) combined with two complementary mass spectrometric methods, namely, electron impact (EI) and chemical ionization at atmospheric pressure (APCI)-mass spectrometry (MS). The APCI source utilizes soft X-radiation, which enables the selective protonation of the volatile metabolites largely without side reactions. Nearly 80 volatile or semivolatile compounds from different substance classes, namely, alcohols, aldehydes, ketones, carboxylic acids, esters, substituted aromatic compounds, alkenes, terpenes, oxidized terpenes, sesquiterpenes, and oxidized sesquiterpenes, could be identified. The profiles of volatile and semivolatile metabolites of the different fungus species are characteristic of them and allow their safe differentiation. The application of the same GC parameters and APCI source allows a simple method transfer from MS to ion mobility spectrometry (IMS), which permits on-site analyses of grain stores. Characterization of IMS yields limits of detection very similar to those of APCI-MS. Accordingly, more than 90\% of the volatile metabolites found by APCI-MS were also detected in IMS. In addition to different fungus genera, different species of one fungus genus could also be differentiated by GC-IMS.}, language = {en} } @article{EvsevleevPaciornikBruno2020, author = {Evsevleev, Sergei and Paciornik, Sidnei and Bruno, Giovanni}, title = {Advanced deep learning-based 3D microstructural characterization of multiphase metal matrix composites}, series = {Advanced engineering materials}, volume = {22}, journal = {Advanced engineering materials}, number = {4}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1438-1656}, doi = {10.1002/adem.201901197}, pages = {6}, year = {2020}, abstract = {The quantitative analysis of microstructural features is a key to understanding the micromechanical behavior of metal matrix composites (MMCs), which is a premise for their use in practice. Herein, a 3D microstructural characterization of a five-phase MMC is performed by synchrotron X-ray computed tomography (SXCT). A workflow for advanced deep learning-based segmentation of all individual phases in SXCT data is shown using a fully convolutional neural network with U-net architecture. High segmentation accuracy is achieved with a small amount of training data. This enables extracting unprecedently precise microstructural parameters (e.g., volume fractions and particle shapes) to be input, e.g., in micromechanical models.}, language = {en} } @article{FernandezCharcharCherstvyetal.2020, author = {Fernandez, Amanda Diez and Charchar, Patrick and Cherstvy, Andrey G. and Metzler, Ralf and Finnis, Michael W.}, title = {The diffusion of doxorubicin drug molecules in silica nanoslits is non-Gaussian, intermittent and anticorrelated}, series = {Physical chemistry, chemical physics}, volume = {22}, journal = {Physical chemistry, chemical physics}, number = {48}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d0cp03849k}, pages = {27955 -- 27965}, year = {2020}, abstract = {In this study we investigate, using all-atom molecular-dynamics computer simulations, the in-plane diffusion of a doxorubicin drug molecule in a thin film of water confined between two silica surfaces. We find that the molecule diffuses along the channel in the manner of a Gaussian diffusion process, but with parameters that vary according to its varying transversal position. Our analysis identifies that four Gaussians, each describing particle motion in a given transversal region, are needed to adequately describe the data. Each of these processes by itself evolves with time at a rate slower than that associated with classical Brownian motion due to a predominance of anticorrelated displacements. Long adsorption events lead to ageing, a property observed when the diffusion is intermittently hindered for periods of time with an average duration which is theoretically infinite. This study presents a simple system in which many interesting features of anomalous diffusion can be explored. It exposes the complexity of diffusion in nanoconfinement and highlights the need to develop new understanding.}, 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{FernandezGonzalezDoncelGarcesetal.2020, author = {Fernandez, Ricardo and Gonzalez-Doncel, Gaspar and Garces, Gerardo and Bruno, Giovanni}, title = {Towards a comprehensive understanding of creep}, series = {Materials science \& engineering. A, Structural materials: properties, microstructure and processing}, volume = {776}, journal = {Materials science \& engineering. A, Structural materials: properties, microstructure and processing}, publisher = {Elsevier}, address = {Lausanne}, issn = {0921-5093}, doi = {10.1016/j.msea.2020.139036}, pages = {7}, year = {2020}, abstract = {We show that the equation proposed by Takeuchi and Argon to explain the creep behavior of Al-Mg solid solution can be used to describe also the creep behavior of pure aluminum. In this frame, it is possible to avoid the use of the classic pre-exponential fitting parameter in the power law equation to predict the minimum creep strain rate. The effect of the fractal arrangement of dislocations, developed at the mesoscale, must be considered to fully explain the experimental data. These ideas allow improving the recently introduced SSTC model, fully describing the primary and secondary creep regimes of aluminum alloys without the need for fitting. Creep data from commercially pure A199.8\% and Al-Mg alloys tested at different temperatures and stresses are used to validate the proposed ideas.}, language = {en} } @article{FulmerGallagherHamannetal.2020, author = {Fulmer, Leah M. and Gallagher, John S. and Hamann, Wolf-Rainer and Oskinova, Lidia M. 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{FumaniNematiMahdavifar2020, author = {Fumani, F. Khastehdel and Nemati, Somayyeh and Mahdavifar, Saeed}, title = {Quantum critical lines in the ground state phase diagram of spin-1/2 frustrated transverse-field ising chains}, series = {Annalen der Physik}, volume = {533}, journal = {Annalen der Physik}, number = {2}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0003-3804}, doi = {10.1002/andp.202000384}, pages = {8}, year = {2020}, abstract = {This paper focuses on the ground state phase diagram of a 1D spin-1/2 quantum Ising model with competing first and second nearest neighbour interactions known as the axial next nearest neighbour Ising model in the presence of a transverse magnetic field. Here, using quantum correlations, both numerically and analytically, some evidence is provided to clarify the identification of the ground state phase diagram. Local quantum correlations play a crucial role in detecting the critical lines either revealed or hidden by symmetry-breaking. A non-symmetry-breaking disorder transition line can be identified by the first derivative of both entanglement of formation and quantum discord between nearest neighbour spins. In addition, the quantum correlations between the second neighbour spins can also be used to reveal Kosterlitz-Thouless phase transition when their interaction strength grows and becomes closer to the first nearest neighbour one. The results obtained using the Jordan-Wigner transformation confirm the accuracy of the numerical case.}, 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{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} } @misc{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 = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, issn = {1866-8372}, doi = {10.25932/publishup-51242}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-512420}, pages = {13}, 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{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{GongToenjesPikovsky2020, author = {Gong, Chen Chris and T{\"o}njes, Ralf and Pikovsky, Arkady}, title = {Coupled M{\"o}bius maps as a tool to model Kuramoto phase synchronization}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {102}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {2}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.102.022206}, pages = {12}, year = {2020}, abstract = {We propose Mobius maps as a tool to model synchronization phenomena in coupled phase oscillators. Not only does the map provide fast computation of phase synchronization, it also reflects the underlying group structure of the sinusoidally coupled continuous phase dynamics. We study map versions of various known continuous-time collective dynamics, such as the synchronization transition in the Kuramoto-Sakaguchi model of nonidentical oscillators, chimeras in two coupled populations of identical phase oscillators, and Kuramoto-Battogtokh chimeras on a ring, and demonstrate similarities and differences between the iterated map models and their known continuous-time counterparts.}, language = {en} } @article{GostkowskaLeknerWallacherGrimmetal.2020, author = {Gostkowska-Lekner, Natalia Katarzyna and Wallacher, Dirk and Grimm, Nico and Habicht, Klaus and Hofmann, Tommy}, title = {A novel electrochemical anodization cell for the synthesis of mesoporous silicon}, series = {Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques}, volume = {91}, journal = {Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques}, number = {10}, publisher = {American Institute of Physics}, address = {Melville, NY}, issn = {0034-6748}, doi = {10.1063/5.0008536}, pages = {6}, year = {2020}, abstract = {A novel design of an electrochemical anodization cell dedicated to the synthesis of mesoporous, single-crystalline silicon is presented. First and foremost, the design principle follows user safety since electrochemical etching of silicon requires highly hazardous electrolytes based on hydrofluoric (HF) acid. The novel cell design allows for safe electrolyte handling prior, during, and post-etching. A peristaltic pump with HF-resistant fluoroelastomer tubing transfers electrolytes between dedicated reservoirs and the anodization cell. Due to the flexibility of the cell operation, different processing conditions can be realized providing a large parameter range for the attainable sample thickness, its porosity, and the mean pore size. Rapid etching on the order of several minutes to synthesize micrometer-thick porous silicon epilayers on bulk silicon is possible as well as long-time etching with continuous, controlled electrolyte flow for several days to prepare up to 1000 mu m thick self-supporting porous silicon membranes. A highly adaptable, LabVIEW((TM))-based control software allows for user-defined etching profiles.}, language = {en} } @misc{GranadoAbadMetzleretal.2020, author = {Granado, Felipe Le Vot and Abad, Enrique and Metzler, Ralf and Yuste, Santos B.}, title = {Continuous time random walk in a velocity field}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1005}, issn = {1866-8372}, doi = {10.25932/publishup-47999}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-479997}, pages = {28}, year = {2020}, abstract = {We consider the emerging dynamics of a separable continuous time random walk (CTRW) in the case when the random walker is biased by a velocity field in a uniformly growing domain. Concrete examples for such domains include growing biological cells or lipid vesicles, biofilms and tissues, but also macroscopic systems such as expanding aquifers during rainy periods, or the expanding Universe. The CTRW in this study can be subdiffusive, normal diffusive or superdiffusive, including the particular case of a L{\´e}vy flight. We first consider the case when the velocity field is absent. In the subdiffusive case, we reveal an interesting time dependence of the kurtosis of the particle probability density function. In particular, for a suitable parameter choice, we find that the propagator, which is fat tailed at short times, may cross over to a Gaussian-like propagator. We subsequently incorporate the effect of the velocity field and derive a bi-fractional diffusion-advection equation encoding the time evolution of the particle distribution. We apply this equation to study the mixing kinetics of two diffusing pulses, whose peaks move towards each other under the action of velocity fields acting in opposite directions. This deterministic motion of the peaks, together with the diffusive spreading of each pulse, tends to increase particle mixing, thereby counteracting the peak separation induced by the domain growth. As a result of this competition, different regimes of mixing arise. In the case of L{\´e}vy flights, apart from the non-mixing regime, one has two different mixing regimes in the long-time limit, depending on the exact parameter choice: in one of these regimes, mixing is mainly driven by diffusive spreading, while in the other mixing is controlled by the velocity fields acting on each pulse. Possible implications for encounter-controlled reactions in real systems are discussed.}, language = {en} } @article{GranadoAbadMetzleretal.2020, author = {Granado, Felipe Le Vot and Abad, Enrique and Metzler, Ralf and Yuste, Santos B.}, title = {Continuous time random walk in a velocity field}, series = {New Journal of Physics}, volume = {22}, journal = {New Journal of Physics}, publisher = {Dt. Physikalische Ges.}, address = {Bad Honnef}, issn = {1367-2630}, doi = {10.1088/1367-2630/ab9ae2}, pages = {27}, year = {2020}, abstract = {We consider the emerging dynamics of a separable continuous time random walk (CTRW) in the case when the random walker is biased by a velocity field in a uniformly growing domain. Concrete examples for such domains include growing biological cells or lipid vesicles, biofilms and tissues, but also macroscopic systems such as expanding aquifers during rainy periods, or the expanding Universe. The CTRW in this study can be subdiffusive, normal diffusive or superdiffusive, including the particular case of a L{\´e}vy flight. We first consider the case when the velocity field is absent. In the subdiffusive case, we reveal an interesting time dependence of the kurtosis of the particle probability density function. In particular, for a suitable parameter choice, we find that the propagator, which is fat tailed at short times, may cross over to a Gaussian-like propagator. We subsequently incorporate the effect of the velocity field and derive a bi-fractional diffusion-advection equation encoding the time evolution of the particle distribution. We apply this equation to study the mixing kinetics of two diffusing pulses, whose peaks move towards each other under the action of velocity fields acting in opposite directions. This deterministic motion of the peaks, together with the diffusive spreading of each pulse, tends to increase particle mixing, thereby counteracting the peak separation induced by the domain growth. As a result of this competition, different regimes of mixing arise. In the case of L{\´e}vy flights, apart from the non-mixing regime, one has two different mixing regimes in the long-time limit, depending on the exact parameter choice: in one of these regimes, mixing is mainly driven by diffusive spreading, while in the other mixing is controlled by the velocity fields acting on each pulse. Possible implications for encounter-controlled reactions in real systems are discussed.}, language = {en} } @misc{GrebenkovMetzlerOshanin2020, author = {Grebenkov, Denis S. and Metzler, Ralf and Oshanin, Gleb}, title = {From single-particle stochastic kinetics to macroscopic reaction rates}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1018}, issn = {1866-8372}, doi = {10.25932/publishup-48405}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-484059}, pages = {29}, year = {2020}, abstract = {We consider the first-passage problem for N identical independent particles that are initially released uniformly in a finite domain Ω and then diffuse toward a reactive area Γ, which can be part of the outer boundary of Ω or a reaction centre in the interior of Ω. For both cases of perfect and partial reactions, we obtain the explicit formulas for the first two moments of the fastest first-passage time (fFPT), i.e., the time when the first out of the N particles reacts with Γ. Moreover, we investigate the full probability density of the fFPT. We discuss a significant role of the initial condition in the scaling of the average fFPT with the particle number N, namely, a much stronger dependence (1/N and 1/N² for partially and perfectly reactive targets, respectively), in contrast to the well known inverse-logarithmic behaviour found when all particles are released from the same fixed point. We combine analytic solutions with scaling arguments and stochastic simulations to rationalise our results, which open new perspectives for studying the relevance of multiple searchers in various situations of molecular reactions, in particular, in living cells.}, language = {en} } @article{GrebenkovMetzlerOshanin2020, author = {Grebenkov, Denis S. and Metzler, Ralf and Oshanin, Gleb}, title = {From single-particle stochastic kinetics to macroscopic reaction rates}, series = {New Journal of Physics}, volume = {22}, journal = {New Journal of Physics}, publisher = {Dt. Physikalische Ges.}, address = {Bad Honnef}, issn = {1367-2630}, doi = {10.1088/1367-2630/abb1de}, pages = {28}, year = {2020}, abstract = {We consider the first-passage problem for N identical independent particles that are initially released uniformly in a finite domain Ω and then diffuse toward a reactive area Γ, which can be part of the outer boundary of Ω or a reaction centre in the interior of Ω. For both cases of perfect and partial reactions, we obtain the explicit formulas for the first two moments of the fastest first-passage time (fFPT), i.e., the time when the first out of the N particles reacts with Γ. Moreover, we investigate the full probability density of the fFPT. We discuss a significant role of the initial condition in the scaling of the average fFPT with the particle number N, namely, a much stronger dependence (1/N and 1/N² for partially and perfectly reactive targets, respectively), in contrast to the well known inverse-logarithmic behaviour found when all particles are released from the same fixed point. We combine analytic solutions with scaling arguments and stochastic simulations to rationalise our results, which open new perspectives for studying the relevance of multiple searchers in various situations of molecular reactions, in particular, in living cells.}, language = {en} } @article{GrebenkovSposiniMetzleretal.2020, author = {Grebenkov, Denis S. and Sposini, Vittoria and Metzler, Ralf and Oshanin, Gleb and Seno, Flavio}, title = {Exact distributions of the maximum and range of random diffusivity processes}, series = {New Journal of Physics}, volume = {23}, journal = {New Journal of Physics}, publisher = {Dt. Physikalische Ges.}, address = {Bad Honnef}, issn = {1367-2630}, doi = {10.1088/1367-2630/abd313}, pages = {23}, year = {2020}, abstract = {We study the extremal properties of a stochastic process xt defined by the Langevin equation ẋₜ =√2Dₜ ξₜ, in which ξt is a Gaussian white noise with zero mean and Dₜ is a stochastic'diffusivity', defined as a functional of independent Brownian motion Bₜ.We focus on threechoices for the random diffusivity Dₜ: cut-off Brownian motion, Dₜt ∼ Θ(Bₜ), where Θ(x) is the Heaviside step function; geometric Brownian motion, Dₜ ∼ exp(-Bₜ); and a superdiffusive process based on squared Brownian motion, Dₜ ∼ B²ₜ. For these cases we derive exact expressions for the probability density functions of the maximal positive displacement and of the range of the process xₜ on the time interval ₜ ∈ (0, T).We discuss the asymptotic behaviours of the associated probability density functions, compare these against the behaviour of the corresponding properties of standard Brownian motion with constant diffusivity (Dₜ = D0) and also analyse the typical behaviour of the probability density functions which is observed for a majority of realisations of the stochastic diffusivity process.}, language = {en} } @misc{GrebenkovSposiniMetzleretal.2020, author = {Grebenkov, Denis S. and Sposini, Vittoria and Metzler, Ralf and Oshanin, Gleb and Seno, Flavio}, title = {Exact distributions of the maximum and range of random diffusivity processes}, series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1142}, issn = {1866-8372}, doi = {10.25932/publishup-50397}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-503976}, pages = {24}, year = {2020}, abstract = {We study the extremal properties of a stochastic process xt defined by the Langevin equation ẋₜ =√2Dₜ ξₜ, in which ξt is a Gaussian white noise with zero mean and Dₜ is a stochastic'diffusivity', defined as a functional of independent Brownian motion Bₜ.We focus on threechoices for the random diffusivity Dₜ: cut-off Brownian motion, Dₜt ∼ Θ(Bₜ), where Θ(x) is the Heaviside step function; geometric Brownian motion, Dₜ ∼ exp(-Bₜ); and a superdiffusive process based on squared Brownian motion, Dₜ ∼ B²ₜ. For these cases we derive exact expressions for the probability density functions of the maximal positive displacement and of the range of the process xₜ on the time interval ₜ ∈ (0, T).We discuss the asymptotic behaviours of the associated probability density functions, compare these against the behaviour of the corresponding properties of standard Brownian motion with constant diffusivity (Dₜ = D0) and also analyse the typical behaviour of the probability density functions which is observed for a majority of realisations of the stochastic diffusivity process.}, language = {en} } @article{GrossmannAransonPeruani2020, author = {Großmann, Robert and Aranson, Igor S. and Peruani, Fernando}, title = {A particle-field approach bridges phase separation and collective motion in active matter}, series = {Nature Communications}, volume = {11}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-020-18978-5}, pages = {12}, year = {2020}, abstract = {Whereas self-propelled hard discs undergo motility-induced phase separation, self-propelled rods exhibit a variety of nonequilibrium phenomena, including clustering, collective motion, and spatio-temporal chaos. In this work, we present a theoretical framework representing active particles by continuum fields. This concept combines the simplicity of alignment-based models, enabling analytical studies, and realistic models that incorporate the shape of self-propelled objects explicitly. By varying particle shape from circular to ellipsoidal, we show how nonequilibrium stresses acting among self-propelled rods destabilize motility-induced phase separation and facilitate orientational ordering, thereby connecting the realms of scalar and vectorial active matter. Though the interaction potential is strictly apolar, both, polar and nematic order may emerge and even coexist. Accordingly, the symmetry of ordered states is a dynamical property in active matter. The presented framework may represent various systems including bacterial colonies, cytoskeletal extracts, or shaken granular media. Interacting self-propelled particles exhibit phase separation or collective motion depending on particle shape. A unified theory connecting these paradigms represents a major challenge in active matter, which the authors address here by modeling active particles as continuum fields.}, language = {en} } @article{GrunerBarnes2020, author = {Gruner, David and Barnes, Sydney A.}, title = {Rotation periods for cool stars in the open cluster Ruprecht 147 (NGC 6774) Implications for gyrochronology}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {644}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/202038984}, pages = {40}, year = {2020}, abstract = {Context: Gyrochronology allows the derivation of ages for cool main sequence stars based on their observed rotation periods and masses, or a suitable proxy thereof. It is increasingly well-explored for FGK stars, but requires further measurements for older ages and K - M-type stars. Aims: We study the 2.7 Gyr-old open cluster Ruprecht 147 to compare it with the previously-studied, but far more distant, NGC 6819 cluster, and especially to measure cooler stars than was previously possible there. Methods: We constructed an inclusive list of 102 cluster members from prior work, including Gaia DR2, and for which light curves were also obtained during Campaign 7 of the Kepler/K2 space mission. We placed them in the cluster color-magnitude diagram and checked the related information against appropriate isochrones. The light curves were then corrected for data systematics using Principal Component Analysis on all observed K2 C07 stars and subsequently subjected to periodicity analysis. Results: Periodic signals are found for 32 stars, 21 of which are considered to be both highly reliable and to represent single, or effectively single, Ru 147 stars. These stars cover the spectral types from late-F to mid-M stars, and they have periods ranging from 6 d - 33 d, allowing for a comparison of Ruprecht 147 to both other open clusters and to models of rotational spindown. The derived rotation periods connect reasonably to, overlap with, and extend to lower masses the known rotation period distribution of the 2.5 Gyr-old cluster NGC 6819. Conclusions: The data confirm that cool stars lie on a single surface in rotation period-mass-age space, and they simultaneously challenge its commonly assumed shape. The shape at the low mass region of the color-period diagram at the age of Ru 147 favors a recently-proposed model which requires a third mass-dependent timescale in addition to the two timescales required by a former model, suggesting that a third physical process is required to model rotating stars effectively.}, language = {en} } @phdthesis{Graetz2020, author = {Gr{\"a}tz, Fabio M.}, title = {Nonlinear diffusion in granular gases and dense planetary rings}, school = {Universit{\"a}t Potsdam}, pages = {101}, year = {2020}, abstract = {Small moonlets or moons embedded in dense planetary rings create S-shaped density modulations called propellers if their masses are smaller than a certain threshold, alternatively they create a circumferential gap in the disk if the embedded body's mass exceeds this threshold (Spahn and Sremčević, 2000). The gravitational perturber scatters the ring particles, depletes the disk's density, and, thus, clears a gap, whereas counteracting viscous diffusion of the ring material has the tendency to close the created gap, thereby forming a propeller. Propeller objects were predicted by Spahn and Sremčević (2000) and Sremčević et al. (2002) and were later discovered by the Cassini space probe (Tiscareno et al., 2006, Sremčević et al., 2007, Tiscareno et al., 2008, and Tiscareno et al., 2010). The ring moons Pan and Daphnis are massive enough to maintain the circumferential Encke and Keeler gaps in Saturn's A ring and were detected by Showalter (1991) and Porco (2005) in Voyager and Cassini images, respectively. In this thesis, a nonlinear axisymmetric diffusion model is developed to describe radial density profiles of circumferential gaps in planetary rings created by embedded moons (Grätz et al., 2018). The model accounts for the gravitational scattering of the ring particles by the embedded moon and for the counteracting viscous diffusion of the ring matter back into the gap. With test particle simulations it is shown that the scattering of the ring particles passing the moon is larger for small impact parameters than estimated by Goldreich and Tremaine (1980). This is especially significant for the modeling of the Keeler gap. The model is applied to the Encke and Keeler gaps with the aim to estimate the shear viscosity of the ring in their vicinities. In addition, the model is used to analyze whether tiny icy moons whose dimensions lie below Cassini's resolution capabilities would be able to cause the poorly understood gap structure of the C ring and the Cassini Division. One of the most intriguing facets of Saturn's rings are the extremely sharp edges of the Encke and Keeler gaps: UVIS-scans of their gap edges show that the optical depth drops from order unity to zero over a range of far less than 100 m, a spatial scale comparable to the ring's vertical extent. This occurs despite the fact that the range over which a moon transfers angular momentum onto the ring material is much larger. Borderies et al. (1982, 1989) have shown that this striking feature is likely related to the local reversal of the usually outward-directed viscous transport of angular momentum in strongly perturbed regions. We have revised the Borderies et al. (1989) model using a granular flow model to define the shear and bulk viscosities, ν and ζ, in order to incorporate the angular momentum flux reversal effect into the axisymmetric diffusion model for circumferential gaps presented in this thesis (Grätz et al., 2019). The sharp Encke and Keeler gap edges are modeled and conclusions regarding the shear and bulk viscosities of the ring are discussed. Finally, we explore the question of whether the radial density profile of the central and outer A ring, recently measured by Tiscareno and Harris (2018) in the highest resolution to date, and in particular, the sharp outer A ring edge can be modeled consistently from the balance of gravitational scattering by several outer moons and the mass and momentum transport. To this aim, the developed model is extended to account for the inward drifts caused by multiple discrete and overlapping resonances with multiple outer satellites and is then used to hydrodynamically simulate the normalized surface mass density profile of the A ring. This section of the thesis is based on studies by Tajeddine et al. (2017a) who recently discussed the common misconception that the 7:6 resonance with Janus alone maintains the outer A ring edge, showing that the combined effort of several resonances with several outer moons is required to confine the A ring as observed by the Cassini spacecraft.}, language = {en} } @article{GomezNavaGrossmannHintscheetal.2020, author = {G{\´o}mez-Nava, Luis and Grossmann, Robert and Hintsche, Marius and Beta, Carsten and Peruani, Fernando}, title = {A novel approach to chemotaxis}, series = {epl : a letters journal exploring the frontiers of physics}, volume = {130}, journal = {epl : a letters journal exploring the frontiers of physics}, number = {6}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0295-5075}, doi = {10.1209/0295-5075/130/68002}, pages = {7}, year = {2020}, abstract = {Motivated by the observation of non-exponential run-time distributions of bacterial swimmers, we propose a minimal phenomenological model for taxis of active particles whose motion is controlled by an internal clock. The ticking of the clock depends on an external concentration field, e.g., a chemical substance. We demonstrate that these particles can detect concentration gradients and respond to them by moving up- or down-gradient depending on the clock design, albeit measurements of these fields are purely local in space and instantaneous in time. Altogether, our results open a new route in the study of directional navigation: we show that the use of a clock to control motility actions represents a generic and versatile toolbox to engineer behavioral responses to external cues, such as light, chemical, or temperature gradients.}, 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{Henkel2020, author = {Henkel, Carsten}, title = {Thermally excited quasiparticles in metals, dispersion forces, and the thermal anomaly}, series = {Modern physics letters : A, Particles and fields, gravitation, cosmology, nuclear physics}, volume = {35}, journal = {Modern physics letters : A, Particles and fields, gravitation, cosmology, nuclear physics}, number = {3}, publisher = {World Scientific}, address = {Singapore}, issn = {0217-7323}, doi = {10.1142/S021773232040009X}, pages = {9}, year = {2020}, abstract = {We provide a brief review of the contribution of thermally excited carriers to dispersion forces. In a metal, these carriers generate charge and current fluctuations whose spectral frequencies are comparable to k(B)T/(h) over bar. They are very likely responsible for the "plasma vs. Drude" anomaly.}, language = {en} } @phdthesis{HernandezAnguizola2020, author = {Hernandez Anguizola, Eloy Luis}, title = {Numerical simulations in multimode fibres for astronomical spectroscopy}, doi = {10.25932/publishup-47236}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-472363}, school = {Universit{\"a}t Potsdam}, pages = {xvi, 114}, year = {2020}, abstract = {The goal of this thesis was to thoroughly investigate the behavior of multimode fibres to aid the development of modern and forthcoming fibre-fed spectrograph systems. Based on the Eigenmode Expansion Method, a field propagation model was created that can emulate effects in fibres relevant for astronomical spectroscopy, such as modal noise, scrambling, and focal ratio degradation. These effects are of major concern for any fibre-coupled spectrograph used in astronomical research. Changes in the focal ratio, modal distribution of light or non-perfect scrambling limit the accuracy of measurements, e.g. the flux determination of the astronomical object, the sky-background subtraction and detection limit for faint galaxies, or the spectral line position accuracy used for the detection of extra-solar planets. Usually, fibres used for astronomical instrumentation are characterized empirically through tests. The results of this work allow to predict the fibre behaviour under various conditions using sophisticated software tools to simulate the waveguide behaviour and mode transport of fibres. The simulation environment works with two software interfaces. The first is the mode solver module FemSIM from Rsoft. It is used to calculate all the propagation modes and effective refractive indexes of a given system. The second interface consists of Python scripts which enable the simulation of the near- and far-field outputs of a given fibre. The characteristics of the input field can be manipulated to emulate real conditions. Focus variations, spatial translation, angular fluctuations, and disturbances through the mode coupling factor can also be simulated. To date, complete coherent propagation or complete incoherent propagation can be simulated. Partial coherence was not addressed in this work. Another limitation of the simulations is that they work exclusively for the monochromatic case and that the loss coefficient of the fibres is not considered. Nevertheless, the simulations were able to match the results of realistic measurements. To test the validity of the simulations, real fibre measurements were used for comparison. Two fibres with different cross-sections were characterized. The first fibre had a circular cross-section, and the second one had an octagonal cross-section. The utilized test-bench was originally developed for the prototype fibres of the 4MOST fibre feed characterization. It allowed for parallel laser beam measurements, light cone measurements, and scrambling measurements. Through the appropriate configuration, the acquisition of the near- and/or far-field was feasible. By means of modal noise analysis, it was possible to compare the near-field speckle patterns of simulations and measurements as a function of the input angle. The spatial frequencies that originate from the modal interference could be analyzed by using the power spectral density analysis. Measurements and simulations yielded similar results. Measurements with induced modal scrambling were compared to simulations using incoherent propagation and once again similar results were achieved. Through both measurements and simulations, the enlargement of the near-field distribution could be observed and analyzed. The simulations made it possible to explain incoherent intensity fluctuations that appear in real measurements due to the field distribution of the active propagation modes. By using the Voigt analysis in the far-field distribution, it was possible to separate the modal diffusion component in order to compare it with the simulations. Through an appropriate assessment, the modal diffusion component as a function of the input angle could be translated into angular divergence. The simulations gave the minimal angular divergence of the system. Through the mean of the difference between simulations and measurements, a figure of merit is given which can be used to characterize the angular divergence of real fibres using the simulations. Furthermore, it was possible to simulate light cone measurements. Due to the overall consistent results, it can be stated that the simulations represent a good tool to assist the fibre characterization process for fibre-fed spectrograph systems. This work was possible through the BMBF Grant 05A14BA1 which was part of the phase A study of the fibre system for MOSAIC, a multi-object spectrograph for the Extremely Large Telescope (ELT-MOS).}, 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} } @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} } @misc{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 = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {1}, issn = {1866-8372}, doi = {10.25932/publishup-51678}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-516788}, pages = {10}, 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{HosseiniTokmoldinLeeetal.2020, author = {Hosseini, Seyed Mehrdad and Tokmoldin, Nurlan and Lee, Young Woong and Zou, Yingping and Woo, Han Young and Neher, Dieter and Shoaee, Safa}, title = {Putting order into PM6:Y6 solar cells to reduce the langevin recombination in 400 nm thick junction}, series = {Solar RRL}, volume = {4}, journal = {Solar RRL}, number = {11}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2367-198X}, doi = {10.1002/solr.202000498}, pages = {7}, year = {2020}, abstract = {Increasing the active layer thickness without sacrificing the power conversion efficiency (PCE) is one of the great challenges faced by organic solar cells (OSCs) for commercialization. Recently, PM6:Y6 as an OSC based on a non-fullerene acceptor (NFA) has excited the community because of its PCE reaching as high as 15.9\%; however, by increasing the thickness, the PCE drops due to the reduction of the fill factor (FF). This drop is attributed to change in mobility ratio with increasing thickness. Furthermore, this work demonstrates that by regulating the packing and the crystallinity of the donor and the acceptor, through volumetric content of chloronaphthalene (CN) as a solvent additive, one can improve the FF of a thick PM6:Y6 device (approximate to 400 nm) from 58\% to 68\% (PCE enhances from 12.2\% to 14.4\%). The data indicate that the origin of this enhancement is the reduction of the structural and energetic disorders in the thick device with 1.5\% CN compared with 0.5\% CN. This correlates with improved electron and hole mobilities and a 50\% suppressed bimolecular recombination, such that the non-Langevin reduction factor is 180 times. This work reveals the role of disorder on the charge extraction and bimolecular recombination of NFA-based OSCs.}, 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{JayVazdaCruzEckertetal.2020, author = {Jay, Raphael M. and Vaz da Cruz, Vinicius and Eckert, Sebastian and Fondell, Mattis and Mitzner, Rolf and F{\"o}hlisch, Alexander}, title = {Probing solute-solvent interactions of transition metal complexes using L-edge absorption spectroscopy}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {124}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, number = {27}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c00638}, pages = {5636 -- 5645}, year = {2020}, abstract = {In order to tailor solution-phase chemical reactions involving transition metal complexes, it is critical to understand how their valence electronic charge distributions are affected by the solution environment. Here, solute-solvent interactions of a solvatochromic mixed-ligand iron complex were investigated using X-ray absorption spectroscopy at the transition metal L-2,L-3-edge. Due to the selectivity of the corresponding core excitations to the iron 3d orbitals, the method grants direct access to the valence electronic structure around the iron center and its response to interactions with the solvent environment. A linear increase of the total L-2,L-3-edge absorption cross section as a function of the solvent Lewis acidity is revealed. The effect is caused by relative changes in different metal-ligand-bonding channels, which preserve local charge densities while increasing the density of unoccupied states around the iron center. These conclusions are corroborated by a combination of molecular dynamics and spectrum simulations based on time-dependent density functional theory. The simulations reproduce the spectral trends observed in the X-ray but also optical absorption experiments. Our results underscore the importance of solute-solvent interactions when aiming for an accurate description of the valence electronic structure of solvated transition metal complexes and demonstrate how L-2,L-3-edge absorption spectroscopy can aid in understanding the impact of the solution environment on intramolecular covalency and the electronic charge distribution.}, language = {en} } @phdthesis{Jay2020, author = {Jay, Raphael Martin}, title = {Principles of charge distribution and separation}, school = {Universit{\"a}t Potsdam}, pages = {xi, 162}, year = {2020}, abstract = {The electronic charge distributions of transition metal complexes fundamentally determine their chemical reactivity. Experimental access to the local valence electronic structure is therefore crucial in order to determine how frontier orbitals are delocalized between different atomic sites and electronic charge is spread throughout the transition metal complex. To that end, X-ray spectroscopies are employed in this thesis to study a series of solution-phase iron complexes with respect to the response of their local electronic charge distributions to different external influences. Using resonant inelastic X-ray scattering (RIXS) and X-ray absorption spectroscopy (XAS) at the iron L-edge, changes in local charge densities are investigated at the iron center depending on different ligand cages as well as solvent environments. A varying degree of charge delocalization from the metal center onto the ligands is observed, which is governed by the capabilities of the ligands to accept charge density into their unoccupied orbitals. Specific solvents are furthermore shown to amplify this process. Solvent molecules of strong Lewis-acids withdraw charge from the ligand allowing in turn for more metal charge to be delocalized onto the ligand. The resulting local charge deficiencies at the metal center are, however, counteracted by competing electron-donation channels from the ligand towards the iron, which are additionally revealed. This is interpreted as a compensating effect which strives to maintain local charge densities at the iron center. This mechanism of charge density preservation is found to be of general nature. Using time-resolved RIXS and XAS at the iron L-edge, an analogous interplay of electron donation and back-donation channels is also revealed for the case of charge-transfer excited states. In such transient configurations, the electronic occupation of iron-centered frontier orbitals has been altered by an optical excitation. Changes in local charge densities that are expected to follow an increased or decreased population of iron-centered orbitals are, however, again counteracted. By scaling the degree of electron donation from the ligand onto the metal, local charge densities at the iron center can be efficiently maintained. Since charge-transfer excitations, however, often constitute the initial step in many electron transfer processes, these findings challenge common notions of charge-separation in transition metal dyes.}, language = {en} } @article{JelkenHenkelSanter2020, author = {Jelken, Joachim and Henkel, Carsten and Santer, Svetlana}, title = {Polarization controlled fine structure of diffraction spots from an optically induced grating}, series = {Applied physics letters}, volume = {116}, journal = {Applied physics letters}, number = {5}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0003-6951}, doi = {10.1063/1.5140067}, pages = {4}, year = {2020}, abstract = {We report on the remote control of the fine structure of a diffraction spot from optically induced dual gratings within a photosensitive polymer film. The material contains azobenzene in the polymer side chains and develops a surface relief under two-beam holographic irradiation. The diffraction of a polarized probe beam is sensitive to the orientation of the azobenzene groups forming a permanently stored birefringence grating within the film. We demonstrate that the fine structure of the probe diffraction spot switches from a Gaussian to a hollow or a hollow to a "Saturn"-like structure by a change in polarization. This makes it potentially useful in photonic devices because the beam shape can be easily inverted by an external stimulus.}, language = {en} } @article{JelkenHenkelSanter2020, author = {Jelken, Joachim and Henkel, Carsten and Santer, Svetlana}, title = {Formation of half-period surface relief gratings in azobenzene containing polymer films}, series = {Applied physics : B, Lasers and optics}, volume = {126}, journal = {Applied physics : B, Lasers and optics}, number = {9}, publisher = {Springer}, address = {Heidelberg}, issn = {0946-2171}, doi = {10.1007/s00340-020-07500-w}, pages = {14}, year = {2020}, abstract = {We study the peculiar response of photo-sensitive polymer films irradiated with a certain type of interference pattern where one interfering beam is S-polarized, while the second one is P-polarized. The polymer film, although in a glassy state, deforms following the local polarization distribution of the incident light, and a surface relief grating (SRG) appears whose period is half the optical one. All other types of interference patterns result in the matching of both periods. The topographical response is triggered by the alignment of photo-responsive azobenzene containing polymer side chains orthogonal to the local electrical field, resulting in a bulk birefringence grating (BBG). We investigate the process of dual grating formation (SRG and BBG) in a polymer film utilizing a dedicated set-up that combines probe beam diffraction and atomic force microscopy (AFM) measurements, and permits acquiring in situ and in real-time information about changes in local topography and birefringence. We find that the SRG maxima appear at the positions of linearly polarized light (tilted by 45 degrees relative to the grating vector), causing the formation of the half-period topography. This permits to inscribe symmetric and asymmetric topography gratings with sub-wavelength period, while changing only slightly the polarization of one of the interfering beams. We demonstrate an easy generation of sawtooth profiles (blazed gratings) with adjustable shape. With these results, we have taken a significant step in understanding the photo-induced deformation of azo-polymer films.}, language = {en} } @article{JiangTaoStolterfohtetal.2020, author = {Jiang, Wei and Tao, Chen and Stolterfoht, Martin and Jin, Hui and Stephen, Meera and Lin, Qianqian and Nagiri, Ravi C. R. and Burn, Paul L. and Gentle, Ian R.}, title = {Hole-transporting materials for low donor content organic solar cells}, series = {Organic electronics : physics, materials and applications}, volume = {76}, journal = {Organic electronics : physics, materials and applications}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1566-1199}, doi = {10.1016/j.orgel.2019.105480}, pages = {7}, year = {2020}, abstract = {Low donor content solar cells are an intriguing class of photovoltaic device about which there is still considerable discussion with respect to their mode of operation. We have synthesized a series of triphenylamine-based materials for use in low donor content devices with the electron accepting [6,6]-phenyl-C71-butyric acid methyl ester (PC(7)0BM). The triphenylamine-based materials absorb light in the near UV enabling the PC(7)0BM to be be the main light absorbing organic semiconducting material in the solar cell. It was found that the devices did not operate as classical Schottky junctions but rather photocurrent was generated by hole transfer from the photo-excited PC(7)0BM to the triphenylamine-based donors. We found that replacing the methoxy surface groups with methyl groups on the donor material led to a decrease in hole mobility for the neat films, which was due to the methyl substituted materials having the propensity to aggregate. The thermodynamic drive to aggregate was advantageous for the performance of the low donor content (6 wt\%) films. It was found that the 6 wt\% donor devices generally gave higher performance than devices containing 50 wt\% of the donor.}, language = {en} } @article{KelesKitzmannMallonnetal.2020, author = {Keles, Engin and Kitzmann, Daniel and Mallonn, Matthias and Alexoudi, Xanthippi and Fossati, Luca and Pino, Lorenzo and Seidel, Julia Victoria and Caroll, Thorsten A. and Steffen, M. and Ilyin, Ilya and Poppenh{\"a}ger, Katja and Strassmeier, Klaus G. and von Essen, Carolina and Nascimbeni, Valerio and Turner, Jake D.}, title = {Probing the atmosphere of HD189733b with the Na i and K i lines}, 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}, doi = {10.1093/mnras/staa2435}, pages = {1033}, year = {2020}, abstract = {High spectral resolution transmission spectroscopy is a powerful tool to characterize exoplanet atmospheres. Especially for hot Jupiters, this technique is highly relevant, due to their high-altitude absorption, e.g. from resonant sodium (Na i) and potassium (K i) lines. We resolve the atmospheric K i absorption on HD189733b with the aim to compare the resolved K i line and previously obtained high-resolution Na i-D line observations with synthetic transmission spectra. The line profiles suggest atmospheric processes leading to a line broadening of the order of ∼10 km/s for the Na i-D lines and only a few km/s for the K i line. The investigation hints that either the atmosphere of HD189733b lacks a significant amount of K i or the alkali lines probe different atmospheric regions with different temperature, which could explain the differences we see in the resolved absorption lines.}, 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} }