@article{MejiaMonasterioMetzlerVollmer2020, author = {Mejia-Monasterio, Carlos and Metzler, Ralf and Vollmer, J{\"u}rgen}, title = {Editorial: anomalous transport}, series = {Frontiers in Physics}, volume = {8}, journal = {Frontiers in Physics}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-424X}, doi = {10.3389/fphy.2020.622417}, pages = {4}, year = {2020}, language = {en} } @article{RodriguezZuluagaStolleYamazakietal.2021, author = {Rodr{\´i}guez Zuluaga, Juan and Stolle, Claudia and Yamazaki, Yosuke and Xiong, Chao and England, Scott L.}, title = {A synoptic-scale wavelike structure in the nighttime equatorial ionization anomaly}, series = {Earth and Space Science : ESS}, volume = {8}, journal = {Earth and Space Science : ESS}, number = {2}, publisher = {American Geophysical Union}, address = {Malden, Mass.}, issn = {2333-5084}, doi = {10.1029/2020EA001529}, pages = {10}, year = {2021}, abstract = {Both ground- and satellite-based airglow imaging have significantly contributed to understanding the low-latitude ionosphere, especially the morphology and dynamics of the equatorial ionization anomaly (EIA). The NASA Global-scale Observations of the Limb and Disk (GOLD) mission focuses on far-ultraviolet airglow images from a geostationary orbit at 47.5 degrees W. This region is of particular interest at low magnetic latitudes because of the high magnetic declination (i.e., about -20 degrees) and proximity of the South Atlantic magnetic anomaly. In this study, we characterize an exciting feature of the nighttime EIA using GOLD observations from October 5, 2018 to June 30, 2020. It consists of a wavelike structure of a few thousand kilometers seen as poleward and equatorward displacements of the EIA-crests. Initial analyses show that the synoptic-scale structure is symmetric about the dip equator and appears nearly stationary with time over the night. In quasi-dipole coordinates, maxima poleward displacements of the EIA-crests are seen at about +/- 12 degrees latitude and around 20 and 60 degrees longitude (i.e., in geographic longitude at the dip equator, about 53 degrees W and 14 degrees W). The wavelike structure presents typical zonal wavelengths of about 6.7 x 10(3) km and 3.3 x 10(3) km. The structure's occurrence and wavelength are highly variable on a day-to-day basis with no apparent dependence on geomagnetic activity. In addition, a cluster or quasi-periodic wave train of equatorial plasma depletions (EPDs) is often detected within the synoptic-scale structure. We further outline the difference in observing these EPDs from FUV images and in situ measurements during a GOLD and Swarm mission conjunction.}, language = {en} } @article{PapadakisMuellerBuschbaumLaschewsky2019, author = {Papadakis, Christine M. and M{\"u}ller-Buschbaum, Peter and Laschewsky, Andre}, title = {Switch It Inside-Out: "Schizophrenic" Behavior of All Thermoresponsive UCST-LCST Diblock Copolymers}, series = {Langmuir}, volume = {35}, journal = {Langmuir}, number = {30}, publisher = {American Chemical Society}, address = {Washington}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b01444}, pages = {9660 -- 9676}, year = {2019}, abstract = {This feature article reviews our recent advancements on the synthesis, phase behavior, and micellar structures of diblock copolymers consisting of oppositely thermoresponsive blocks in aqueous environments. These copolymers combine a nonionic block, which shows lower critical solution temperature (LCST) behavior, with a zwitterionic block that exhibits an upper critical solution temperature (UCST). The transition temperature of the latter class of polymers is strongly controlled by its molar mass and by the salt concentration, in contrast to the rather invariant transition of nonionic polymers with type II LCST behavior such as poly(N-isopropylacrylamide) or poly(N-isopropyl methacrylamide). This allows for implementing the sequence of the UCST and LCST transitions of the polymers at will by adjusting either molecular or, alternatively, physical parameters. Depending on the location of the transition temperatures of both blocks, different switching scenarios are realized from micelles to inverse micelles, namely via the molecularly dissolved state, the aggregated state, or directly. In addition to studies of (semi)dilute aqueous solutions, highly concentrated systems have also been explored, namely water-swollen thin films. Concerning applications, we discuss the possible use of the diblock copolymers as "smart" nanocarriers.}, language = {en} } @article{NakoudiStachlewskaRitter2021, author = {Nakoudi, Konstantina and Stachlewska, Iwona S. and Ritter, Christoph}, title = {An extended lidar-based cirrus cloud retrieval scheme}, series = {Optics express : the international electronic journal of optics / Optica}, volume = {29}, journal = {Optics express : the international electronic journal of optics / Optica}, number = {6}, publisher = {Optical Society of America}, address = {Washington}, issn = {1094-4087}, doi = {10.1364/OE.414770}, pages = {8553 -- 8580}, year = {2021}, abstract = {Accurate and precise characterization of cirrus cloud geometrical and optical properties is essential for better constraining their radiative footprint. A lidar-based retrieval scheme is proposed here, with its performance assessed on fine spatio-temporal observations over the Arctic site of Ny-Alesund, Svalbard. Two contributions related to cirrus geometrical (dynamic Wavelet Covariance Transform (WCT)) and optical properties (constrained Klett) are reported. The dynamic WCT rendered cirrus detection more robust, especially for thin cirrus layers that frequently remained undetected by the classical WCT method. Regarding optical characterization, we developed an iterative scheme for determining the cirrus lidar ratio (LRci) that is a crucial parameter for aerosol - cloud discrimination. Building upon the Klett-Fernald method, the LRci was constrained by an additional reference value. In established methods, such as the double-ended Klett, an aerosol-free reference value is applied. In the proposed constrained Klett, however, the reference value was approximated from cloud-free or low cloud optical depth (COD up to 0.2) profiles and proved to agree with independent Raman estimates. For optically thin cirrus, the constrained Klett inherent uncertainties reached 50\% (60-74\%) in terms of COD (LRci). However, for opaque cirrus COD (LRci) uncertainties were lower than 10\% (15\%). The detection method discrepancies (dynamic versus static WCT) had a higher impact on the optical properties of low COD layers (up to 90\%) compared to optically thicker ones (less than 10\%). The constrained Klett presented high agreement with two established retrievals. For an exemplary cirrus cloud, the constrained Klett estimated the COD355 (LRci355) at 0.28 +/- 0.17 (29 +/- 4 sr), the double-ended Klett at 0.27 +/- 0.15 (32 +/- 4 sr) and the Raman retrievals at 0.22 +/- 0.12 (26 +/- 11 sr). Our approach to determine the necessary reference value can also be applied in established methods and increase their accuracy. In contrast, the classical aerosol-free assumption led to 44 sr LRci overestimation in optically thin layers and 2-8 sr in thicker ones. The multiple scattering effect was corrected using Eloranta (1998) and accounted for 50-60\% extinction underestimation near the cloud base and 20-30\% within the cirrus layers.}, language = {en} } @article{LepriPikovsky2022, author = {Lepri, Stefano and Pikovsky, Arkady}, title = {Phase-locking dynamics of heterogeneous oscillator arrays}, series = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science}, volume = {155}, journal = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science}, publisher = {Elsevier}, address = {Oxford}, issn = {0960-0779}, doi = {10.1016/j.chaos.2021.111721}, pages = {8}, year = {2022}, abstract = {We consider an array of nearest-neighbor coupled nonlinear autonomous oscillators with quenched ran-dom frequencies and purely conservative coupling. We show that global phase-locked states emerge in finite lattices and study numerically their destruction. Upon change of model parameters, such states are found to become unstable with the generation of localized periodic and chaotic oscillations. For weak nonlinear frequency dispersion, metastability occur akin to the case of almost-conservative systems. We also compare the results with the phase-approximation in which the amplitude dynamics is adiabatically eliminated.}, language = {en} } @article{DudiDietrichRashtietal.2022, author = {Dudi, Reetika and Dietrich, Tim and Rashti, Alireza and Br{\"u}gmann, Bernd and Steinhoff, Jan and Tichy, Wolfgang}, title = {High-accuracy simulations of highly spinning binary neutron star systems}, series = {Physical review : D, Particles, fields, gravitation, and cosmology}, volume = {105}, journal = {Physical review : D, Particles, fields, gravitation, and cosmology}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0010}, doi = {10.1103/PhysRevD.105.064050}, pages = {13}, year = {2022}, abstract = {With an increasing number of expected gravitational-wave detections of binary neutron star mergers, it is essential that gravitational-wave models employed for the analysis of observational data are able to describe generic compact binary systems. This includes systems in which the individual neutron stars are millisecond pulsars for which spin effects become essential. In this work, we perform numerical-relativity simulations of binary neutron stars with aligned and antialigned spins within a range of dimensionless spins of chi similar to [-0.28, 0.58]. The simulations are performed with multiple resolutions, show a clear convergence order and, consequently, can be used to test existing waveform approximants. We find that for very high spins gravitational-wave models that have been employed for the interpretation of GW170817 and GW190425 arc not capable of describing our numerical-relativity dataset. We verify through a full parameter estimation study in which clear biases in the estimate of the tidal deformability and effective spin are present. We hope that in preparation of the next gravitational-wave observing run of the Advanced LIGO and Advanced Virgo detectors our new set of numerical-relativity data can be used to support future developments of new gravitational-wave models.}, language = {en} } @article{ZhuShpritsSpasojevicetal.2019, author = {Zhu, Hui and Shprits, Yuri Y. and Spasojevic, M. and Drozdov, Alexander}, title = {New hiss and chorus waves diffusion coefficient parameterizations from the Van Allen Probes and their effect on long-term relativistic electron radiation-belt VERB simulations}, series = {Journal of Atmospheric and Solar-Terrestrial Physics}, volume = {193}, journal = {Journal of Atmospheric and Solar-Terrestrial Physics}, publisher = {Elsevier}, address = {Oxford}, issn = {1364-6826}, doi = {10.1016/j.jastp.2019.105090}, pages = {13}, year = {2019}, abstract = {New wave frequency and amplitude models for the nightside and dayside chorus waves are built based on measurements from the Electric and Magnetic Field Instrument Suite and Integrated Science (EMFISIS) instrument onboard the Van Allen Probes. The corresponding 3D diffusion coefficients are systematically obtained. Compared with previous commonly-used (typical) parameterizations, the new parameterizations result in differences in diffusion rates that depend on the energy and pitch angle. Furthermore, one-year 3D diffusive simulations are performed using the Versatile Electron Radiation Belt (VERB) code. Both typical and new wave parameterizations simulation results are in a good agreement with observations at 0.9 MeV. However, the new parameterizations for nightside chorus better reproduce the observed electron fluxes. These parameterizations will be incorporated into future modeling efforts.}, language = {en} } @article{PickEffenbergerZhelavskayaetal.2019, author = {Pick, Leonie and Effenberger, Frederic and Zhelavskaya, Irina and Korte, Monika}, title = {A Statistical Classifier for Historical Geomagnetic Storm Drivers Derived Solely From Ground-Based Magnetic Field Measurements}, series = {Earth and Space Science}, volume = {6}, journal = {Earth and Space Science}, publisher = {American Geophysical Union}, address = {Malden, Mass.}, issn = {2333-5084}, doi = {10.1029/2019EA000726}, pages = {2000 -- 2015}, year = {2019}, abstract = {Solar wind observations show that geomagnetic storms are mainly driven by interplanetary coronal mass ejections (ICMEs) and corotating or stream interaction regions (C/SIRs). We present a binary classifier that assigns one of these drivers to 7,546 storms between 1930 and 2015 using ground-based geomagnetic field observations only. The input data consists of the long-term stable Hourly Magnetospheric Currents index alongside the corresponding midlatitude geomagnetic observatory time series. This data set provides comprehensive information on the global storm time magnetic disturbance field, particularly its spatial variability, over eight solar cycles. For the first time, we use this information statistically with regard to an automated storm driver identification. Our supervised classification model significantly outperforms unskilled baseline models (78\% accuracy with 26[19]\% misidentified interplanetary coronal mass ejections [corotating or stream interaction regions]) and delivers plausible driver occurrences with regard to storm intensity and solar cycle phase. Our results can readily be used to advance related studies fundamental to space weather research, for example, studies connecting galactic cosmic ray modulation and geomagnetic disturbances. They are fully reproducible by means of the underlying open-source software (Pick, 2019, http://doi.org/10.5880/GFZ.2.3.2019.003)}, language = {en} } @article{KaramzadehToularoudHeimannDahmetal.2018, author = {Karamzadeh Toularoud, Nasim and Heimann, Sebastian and Dahm, Torsten and Kr{\"u}ger, Frank}, title = {Application based seismological array design by seismicity scenario modelling}, series = {Geophysical journal international}, volume = {216}, journal = {Geophysical journal international}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0956-540X}, pages = {1711 -- 1727}, year = {2018}, abstract = {The design of an array configuration is an important task in array seismology during experiment planning. Often the array response function (ARF), which depends on the relative position of array stations and frequency content of the incoming signals, is used as the array design criterion. In practice, additional constraints and parameters have to be taken into account, for example, land ownership, site-specific noise levels or characteristics of the seismic sources under investigation. In this study, a flexible array design framework is introduced that implements a customizable scenario modelling and optimization scheme by making use of synthetic seismograms. Using synthetic seismograms to evaluate array performance makes it possible to consider additional constraints. We suggest to use synthetic array beamforming as an array design criterion instead of the ARF. The objective function of the optimization scheme is defined according to the monitoring goals, and may consist of a number of subfunctions. The array design framework is exemplified by designing a seven-station small-scale array to monitor earthquake swarm activity in Northwest Bohemia/Vogtland in central Europe. Two subfunctions are introduced to verify the accuracy of horizontal slowness estimation; one to suppress aliasing effects due to possible secondary lobes of synthetic array beamforming calculated in horizontal slowness space and the other to reduce the event's mislocation caused by miscalculation of the horizontal slowness vector. Subsequently, a weighting technique is applied to combine the subfunctions into one single scalar objective function to use in the optimization process.}, language = {en} } @article{LiBenduhnQiaoetal.2019, author = {Li, Tian-yi and Benduhn, Johannes and Qiao, Zhi and Liu, Yuan and Li, Yue and Shivhare, Rishi and Jaiser, Frank and Wang, Pei and Ma, Jie and Zeika, Olaf and Neher, Dieter and Mannsfeld, Stefan C. B. and Ma, Zaifei and Vandewal, Koen and Leo, Karl}, title = {Effect of H- and J-Aggregation on the Photophysical and Voltage Loss of Boron Dipyrromethene Small Molecules in Vacuum-Deposited Organic Solar Cells}, series = {The journal of physical chemistry letters}, volume = {10}, journal = {The journal of physical chemistry letters}, number = {11}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b01222}, pages = {2684 -- 2691}, year = {2019}, abstract = {An understanding of the factors limiting the open-circuit voltage (V-oc) and related photon energy loss mechanisms is critical to increase the power conversion efficiency (PCE) of small-molecule organic solar cells (OSCs), especially those with near-infrared (NIR) absorbers. In this work, two NIR boron dipyrromethene (BODIPY) molecules are characterized for application in planar (PHJ) and bulk (BHJ) heterojunction OSCs. When two H atoms are substituted by F atoms on the peripheral phenyl rings of the molecules, the molecular aggregation type in the thin film changes from the H-type to J-type. For PHJ devices, the nonradiative voltage loss of 0.35 V in the J-aggregated BODIPY is lower than that of 0.49 V in the H-aggregated device. In BHJ devices with a nonradiative voltage loss of 0.35 V, a PCE of 5.5\% is achieved with an external quantum efficiency (EQE) maximum of 68\% at 700 nm.}, language = {en} } @article{YangJaiserStilleretal.2006, author = {Yang, Xiao Hui and Jaiser, Frank and Stiller, Burkhard and Neher, Dieter and Galbrecht, Frank and Scherf, Ullrich}, title = {Efficient polymer electrophosphoreseent devices with interfacial layers}, series = {Advanced functional materials}, volume = {16}, journal = {Advanced functional materials}, number = {16}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1616-301X}, doi = {10.1002/adfm.200500834}, pages = {2156 -- 2162}, year = {2006}, abstract = {It is shown that several polymers can form insoluble interfacial layers on a poly (ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layer after annealing of the double-layer structure. The thickness of the interlayer is dependent on the characteristics of the underlying PEDOT.PSS and the molecular weight of the polymers. It is further shown that the electronic structures of the interlayer polymers have a significant effect on the properties of red-light-emitting polymer-based electrophosphorescent devices. Upon increasing the highest occupied molecular orbital and lowest unoccupied molecular orbital positions, a significant increase in current density and device efficiency is observed. This is attributed to efficient blocking of electrons in combination with direct injection of holes from the interlayer to the phosphorescent dye. Upon proper choice of the interlayer polymer, efficient red, polymer-based electrophosphorescent devices with a peak luminance efficiency of 5.5 cd A(-1) (external quantum efficiency = 6 \%) and a maximum power-conversion efficiency of 5 Im W-1 can be realized.}, language = {en} } @article{KurpiersFerronRolandetal.2018, author = {Kurpiers, Jona and Ferron, Thomas and Roland, Steffen and Jakoby, Marius and Thiede, Tobias and Jaiser, Frank and Albrecht, Steve and Janietz, Silvia and Collins, Brian A. and Howard, Ian A. and Neher, Dieter}, title = {Probing the pathways of free charge generation in organic bulk heterojunction solar cells}, series = {Nature Communications}, volume = {9}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-018-04386-3}, pages = {11}, year = {2018}, abstract = {The fact that organic solar cells perform efficiently despite the low dielectric constant of most photoactive blends initiated a long-standing debate regarding the dominant pathways of free charge formation. Here, we address this issue through the accurate measurement of the activation energy for free charge photogeneration over a wide range of photon energy, using the method of time-delayed collection field. For our prototypical low bandgap polymer:fullerene blends, we find that neither the temperature nor the field dependence of free charge generation depend on the excitation energy, ruling out an appreciable contribution to free charge generation though hot carrier pathways. On the other hand, activation energies are on the order of the room temperature thermal energy for all studied blends. We conclude that charge generation in such devices proceeds through thermalized charge transfer states, and that thermal energy is sufficient to separate most of these states into free charges.}, language = {en} } @article{SarhanKoopmanPudelletal.2019, author = {Sarhan, Radwan Mohamed and Koopman, Wouter-Willem Adriaan and Pudell, Jan-Etienne and Stete, Felix and R{\"o}ssle, Matthias and Herzog, Marc and Schmitt, Clemens Nikolaus Zeno and Liebig, Ferenc and Koetz, Joachim and Bargheer, Matias}, title = {Scaling up nanoplasmon catalysis}, series = {The journal of physical chemistry : C, Nanomaterials and interfaces}, volume = {123}, journal = {The journal of physical chemistry : C, Nanomaterials and interfaces}, number = {14}, publisher = {American Chemical Society}, address = {Washington}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b12574}, pages = {9352 -- 9357}, year = {2019}, abstract = {Nanoscale heating by optical excitation of plasmonic nanoparticles offers a new perspective of controlling chemical reactions, where heat is not spatially uniform as in conventional macroscopic heating but strong temperature gradients exist around microscopic hot spots. In nanoplasmonics, metal particles act as a nanosource of light, heat, and energetic electrons driven by resonant excitation of their localized surface plasmon resonance. As an example of the coupling reaction of 4-nitrothiophenol into 4,4′-dimercaptoazobenzene, we show that besides the nanoscopic heat distribution at hot spots, the microscopic distribution of heat dictated by the spot size of the light focus also plays a crucial role in the design of plasmonic nanoreactors. Small sizes of laser spots enable high intensities to drive plasmon-assisted catalysis. This facilitates the observation of such reactions by surface-enhanced Raman scattering, but it challenges attempts to scale nanoplasmonic chemistry up to large areas, where the excess heat must be dissipated by one-dimensional heat transport.}, language = {en} } @article{SiniSchubertRiskoetal.2018, author = {Sini, Gjergji and Schubert, Marcel and Risko, Chad and Roland, Steffen and Lee, Olivia P. and Chen, Zhihua and Richter, Thomas V. and Dolfen, Daniel and Coropceanu, Veaceslav and Ludwigs, Sabine and Scherf, Ullrich and Facchetti, Antonio and Frechet, Jean M. J. and Neher, Dieter}, title = {On the Molecular Origin of Charge Separation at the Donor-Acceptor Interface}, series = {Advanced energy materials}, volume = {8}, journal = {Advanced energy materials}, number = {12}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201702232}, pages = {15}, year = {2018}, abstract = {Fullerene-based acceptors have dominated organic solar cells for almost two decades. It is only within the last few years that alternative acceptors rival their dominance, introducing much more flexibility in the optoelectronic properties of these material blends. However, a fundamental physical understanding of the processes that drive charge separation at organic heterojunctions is still missing, but urgently needed to direct further material improvements. Here a combined experimental and theoretical approach is used to understand the intimate mechanisms by which molecular structure contributes to exciton dissociation, charge separation, and charge recombination at the donor-acceptor (D-A) interface. Model systems comprised of polythiophene-based donor and rylene diimide-based acceptor polymers are used and a detailed density functional theory (DFT) investigation is performed. The results point to the roles that geometric deformations and direct-contact intermolecular polarization play in establishing a driving force ( energy gradient) for the optoelectronic processes taking place at the interface. A substantial impact for this driving force is found to stem from polymer deformations at the interface, a finding that can clearly lead to new design approaches in the development of the next generation of conjugated polymers and small molecules.}, language = {en} } @article{UllbrichBenduhnJiaetal.2019, author = {Ullbrich, Sascha and Benduhn, Johannes and Jia, Xiangkun and Nikolis, Vasileios C. and Tvingstedt, Kristofer and Piersimoni, Fortunato and Roland, Steffen and Liu, Yuan and Wu, Jinhan and Fischer, Axel and Neher, Dieter and Reineke, Sebastian and Spoltore, Donato and Vandewal, Koen}, title = {Emissive and charge-generating donor-acceptor interfaces for organic optoelectronics with low voltage losses}, series = {Nature materials}, volume = {18}, journal = {Nature materials}, number = {5}, publisher = {Nature Publ. Group}, address = {London}, issn = {1476-1122}, doi = {10.1038/s41563-019-0324-5}, pages = {459 -- 464}, year = {2019}, abstract = {Intermolecular charge-transfer states at the interface between electron donating (D) and accepting (A) materials are crucial for the operation of organic solar cells but can also be exploited for organic light-emitting diodes(1,2). Non-radiative charge-transfer state decay is dominant in state-of-the-art D-A-based organic solar cells and is responsible for large voltage losses and relatively low power-conversion efficiencies as well as electroluminescence external quantum yields in the 0.01-0.0001\% range(3,4). In contrast, the electroluminescence external quantum yield reaches up to 16\% in D-A-based organic light-emitting diodes(5-7). Here, we show that proper control of charge-transfer state properties allows simultaneous occurrence of a high photovoltaic and emission quantum yield within a single, visible-light-emitting D-A system. This leads to ultralow-emission turn-on voltages as well as significantly reduced voltage losses upon solar illumination. These results unify the description of the electro-optical properties of charge-transfer states in organic optoelectronic devices and foster the use of organic D-A blends in energy conversion applications involving visible and ultraviolet photons(8-11).}, language = {en} } @article{RanLoveHeiberetal.2018, author = {Ran, Niva A. and Love, John A. and Heiber, Michael C. and Jiao, Xuechen and Hughes, Michael P. and Karki, Akchheta and Wang, Ming and Brus, Viktor V. and Wang, Hengbin and Neher, Dieter and Ade, Harald and Bazan, Guillermo C. and Thuc-Quyen Nguyen,}, title = {Charge generation and recombination in an organic solar cell with low energetic offsets}, series = {dvanced energy materials}, volume = {8}, journal = {dvanced energy materials}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201701073}, pages = {12}, year = {2018}, abstract = {Organic bulk heterojunction (BHJ) solar cells require energetic offsets between the donor and acceptor to obtain high short-circuit currents (J(SC)) and fill factors (FF). However, it is necessary to reduce the energetic offsets to achieve high open-circuit voltages (V-OC). Recently, reports have highlighted BHJ blends that are pushing at the accepted limits of energetic offsets necessary for high efficiency. Unfortunately, most of these BHJs have modest FF values. How the energetic offset impacts the solar cell characteristics thus remains poorly understood. Here, a comprehensive characterization of the losses in a polymer:fullerene BHJ blend, PIPCP:phenyl-C61-butyric acid methyl ester (PC61BM), that achieves a high V-OC (0.9 V) with very low energy losses (E-loss = 0.52 eV) from the energy of absorbed photons, a respectable J(SC) (13 mA cm(-2)), but a limited FF (54\%) is reported. Despite the low energetic offset, the system does not suffer from field-dependent generation and instead it is characterized by very fast nongeminate recombination and the presence of shallow traps. The charge-carrier losses are attributed to suboptimal morphology due to high miscibility between PIPCP and PC61BM. These results hold promise that given the appropriate morphology, the J(SC), V-OC, and FF can all be improved, even with very low energetic offsets.}, language = {en} } @article{HosseiniRolandKurpiersetal.2019, author = {Hosseini, Seyed Mehrdad and Roland, Steffen and Kurpiers, Jona and Chen, Zhiming and Zhang, Kai and Huang, Fei and Armin, Ardalan and Neher, Dieter and Shoaee, Safa}, title = {Impact of Bimolecular Recombination on the Fill Factor of Fullerene and Nonfullerene-Based Solar Cells}, series = {The journal of physical chemistry : C, Nanomaterials and interfaces}, volume = {123}, journal = {The journal of physical chemistry : C, Nanomaterials and interfaces}, number = {11}, publisher = {American Chemical Society}, address = {Washington}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b11669}, pages = {6823 -- 6830}, year = {2019}, abstract = {Power conversion efficiencies of donor/acceptor organic solar cells utilizing nonfullerene acceptors have now increased beyond the record of their fullerene-based counterparts. There remain many fundamental questions regarding nanomorphology, interfacial states, charge generation and extraction, and losses in these systems. Herein, we present a comparative study of bulk heterojunction solar cells composed of a recently introduced naphthothiadiazole-based polymer (NT812) as the electron donor and two different acceptor molecules, namely, [6,6]-phenyl-C71-butyric acid methyl ester (PCBM)[70] and 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene (ITIC). A comparison between the photovoltaic performance of these two types of solar cells reveals that the open-circuit voltage (Voc) of the NT812:ITIC-based solar cell is larger, but the fill factor (FF) is lower than that of the NT812:PCBM[70] device. We find the key reason behind this reduced FF in the ITIC-based device to be faster nongeminate recombination relative to the NT812:PCBM[70] system.}, language = {en} } @article{RolandYanZhangetal.2017, author = {Roland, Steffen and Yan, Liang and Zhang, Qianqian and Jiao, Xuechen and Hunt, Adrian and Ghasemi, Masoud and Ade, Harald and You, Wei and Neher, Dieter}, title = {Charge Generation and Mobility-Limited Performance of Bulk Heterojunction Solar Cells with a Higher Adduct Fullerene}, series = {The journal of physical chemistry : C, Nanomaterials and interfaces}, volume = {121}, journal = {The journal of physical chemistry : C, Nanomaterials and interfaces}, publisher = {American Chemical Society}, address = {Washington}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.7b02288}, pages = {10305 -- 10316}, year = {2017}, abstract = {Alternative electron acceptors are being actively explored in order to advance the development of bulk-heterojunction (BHJ) organic solar cells (OSCs). The indene-C-60 bisadduct (ICBA) has been regarded as a promising candidate, as it provides high open-circuit voltage in BHJ solar cells; however, the photovoltaic performance of such ICBA-based devices is often inferior when compared to cells with the omnipresent PCBM electron acceptor. Here, by pairing the high performance polymer (FTAZ) as the donor with either PCBM or ICBA as the acceptor, we explore the physical mechanism behind the reduced performance of the ICBA-based device. Time delayed collection field (TDCF) experiments reveal reduced, yet field-independent free charge generation in the FTAZ:ICBA system, explaining the overall lower photocurrent in its cells. Through the analysis of the photoluminescence, photogeneration, and electroluminescence, we find that the lower generation efficiency is neither caused by inefficient exciton splitting, nor do we find evidence for significant energy back-transfer from the CT state to singlet excitons. In fact, the increase in open circuit voltage when replacing PCBM by ICBA is entirely caused by the increase in the CT energy, related to the shift in the LUMO energy, while changes in the radiative and nonradiative recombination losses are nearly absent. On the other hand, space charge limited current (SCLC) and bias-assisted charge extraction (BACE) measurements consistently reveal a severely lower electron mobilitiy in the FTAZ:ICBA blend. Studies of the blends with resonant soft X-ray scattering (R-SoXS), grazing incident wide-angle X-ray scattering (GIWAXS), and scanning transmission X-ray microscopy (STXM) reveal very little differences in the mesoscopic morphology but significantly less nanoscale molecular ordering of the fullerene domains in the ICBA based blends, which we propose as the main cause for the lower generation efficiency and smaller electron mobility. Calculations of the JV curves with an analytical model, using measured values, show good agreement with the experimentally determined JV characteristics, proving that these devices suffer from slow carrier extraction, resulting in significant bimolecular recombination losses. Therefore, this study highlights the importance of high charge carrier mobility for newly synthesized acceptor materials, in addition to having suitable energy levels.}, language = {en} } @article{BenduhnTvingstedtPiersimonietal.2017, author = {Benduhn, Johannes and Tvingstedt, Kristofer and Piersimoni, Fortunato and Ullbrich, Sascha and Fan, Yeli and Tropiano, Manuel and McGarry, Kathryn A. and Zeika, Olaf and Riede, Moritz K. and Douglas, Christopher J. and Barlow, Stephen and Marder, Seth R. and Neher, Dieter and Spoltore, Donato and Vandewal, Koen}, title = {Intrinsic non-radiative voltage losses in fullerene-based organic solar cells}, series = {Nature Energy}, volume = {2}, journal = {Nature Energy}, publisher = {Nature Publ. Group}, address = {London}, issn = {2058-7546}, doi = {10.1038/nenergy.2017.53}, pages = {6}, year = {2017}, abstract = {Organic solar cells demonstrate external quantum efficiencies and fill factors approaching those of conventional photovoltaic technologies. However, as compared with the optical gap of the absorber materials, their open-circuit voltage is much lower, largely due to the presence of significant non-radiative recombination. Here, we study a large data set of published and new material combinations and find that non-radiative voltage losses decrease with increasing charge-transfer-state energies. This observation is explained by considering non-radiative charge-transfer-state decay as electron transfer in the Marcus inverted regime, being facilitated by a common skeletal molecular vibrational mode. Our results suggest an intrinsic link between non-radiative voltage losses and electron-vibration coupling, indicating that these losses are unavoidable. Accordingly, the theoretical upper limit for the power conversion efficiency of single-junction organic solar cells would be reduced to about 25.5\% and the optimal optical gap increases to (1.45-1.65) eV, that is, (0.2-0.3) eV higher than for technologies with minimized non-radiative voltage losses.}, language = {en} } @article{HofackerNeher2017, author = {Hofacker, Andreas and Neher, Dieter}, title = {Dispersive and steady-state recombination in organic disordered semiconductors}, series = {Physical review : B, Condensed matter and materials physics}, volume = {96}, journal = {Physical review : B, Condensed matter and materials physics}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9950}, doi = {10.1103/PhysRevB.96.245204}, pages = {11}, year = {2017}, abstract = {Charge carrier recombination in organic disordered semiconductors is strongly influenced by the thermalization of charge carriers in the density of states (DOS). Measurements of recombination dynamics, conducted under transient or steady-state conditions, can easily be misinterpreted when a detailed understanding of the interplay of thermalization and recombination is missing. To enable adequate measurement analysis, we solve the multiple-trapping problem for recombining charge carriers and analyze it in the transient and steady excitation paradigm for different DOS distributions. We show that recombination rates measured after pulsed excitation are inherently time dependent since recombination gradually slows down as carriers relax in the DOS. When measuring the recombination order after pulsed excitation, this leads to an apparent high-order recombination at short times. As times goes on, the recombination order approaches an asymptotic value. For the Gaussian and the exponential DOS distributions, this asymptotic value equals the recombination order of the equilibrated system under steady excitation. For a more general DOS distribution, the recombination order can also depend on the carrier density, under both transient and steady-state conditions. We conclude that transient experiments can provide rich information about recombination in and out of equilibrium and the underlying DOS occupation provided that consistent modeling of the system is performed.}, language = {en} } @article{MechauSaphiannikovaNeher2006, author = {Mechau, Norman and Saphiannikova, Marina and Neher, Dieter}, title = {Molecular tracer diffusion in thin azobenzene polymer layers}, series = {Applied physics letters}, volume = {89}, journal = {Applied physics letters}, number = {25}, publisher = {Elsevier}, address = {Melville}, issn = {0003-6951}, doi = {10.1063/1.2405853}, pages = {3}, year = {2006}, abstract = {Translational diffusion of fluorescent tracer molecules in azobenzene polymer layers is studied at different temperatures and under illumination using the method of fluorescence recovery after photobleaching. Diffusion is clearly observed in the dark above the glass transition temperature, while homogeneous illumination at 488 nm and 100 mW/cm(2) does not cause any detectable diffusion of the dye molecules within azobenzene layers. This implies that the viscosity of azobenzene layers remains nearly unchanged under illumination with visible light in the absence of internal or external forces. (c) 2006 American Institute of Physics.}, language = {en} } @article{AlqahtaniBabicsGorenflotetal.2018, author = {Alqahtani, Obaid and Babics, Maxime and Gorenflot, Julien and Savikhin, Victoria and Ferron, Thomas and Balawi, Ahmed H. and Paulke, Andreas and Kan, Zhipeng and Pope, Michael and Clulow, Andrew J. and Wolf, Jannic and Burn, Paul L. and Gentle, Ian R. and Neher, Dieter and Toney, Michael F. and Laquai, Frederic and Beaujuge, Pierre M. and Collins, Brian A.}, title = {Mixed Domains Enhance Charge Generation and Extraction in Bulk-Heterojunction Solar Cells with Small-Molecule Donors}, series = {Advanced energy materials}, volume = {8}, journal = {Advanced energy materials}, number = {19}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201702941}, pages = {16}, year = {2018}, abstract = {The interplay between nanomorphology and efficiency of polymer-fullerene bulk-heterojunction (BHJ) solar cells has been the subject of intense research, but the generality of these concepts for small-molecule (SM) BHJs remains unclear. Here, the relation between performance; charge generation, recombination, and extraction dynamics; and nanomorphology achievable with two SM donors benzo[1,2-b:4,5-b]dithiophene-pyrido[3,4-b]-pyrazine BDT(PPTh2)(2), namely SM1 and SM2, differing by their side-chains, are examined as a function of solution additive composition. The results show that the additive 1,8-diiodooctane acts as a plasticizer in the blends, increases domain size, and promotes ordering/crystallinity. Surprisingly, the system with high domain purity (SM1) exhibits both poor exciton harvesting and severe charge trapping, alleviated only slightly with increased crystallinity. In contrast, the system consisting of mixed domains and lower crystallinity (SM2) shows both excellent exciton harvesting and low charge recombination losses. Importantly, the onset of large, pure crystallites in the latter (SM2) system reduces efficiency, pointing to possible differences in the ideal morphologies for SM-based BHJ solar cells compared with polymer-fullerene devices. In polymer-based systems, tie chains between pure polymer crystals establish a continuous charge transport network, whereas SM-based active layers may in some cases require mixed domains that enable both aggregation and charge percolation to the electrodes.}, language = {en} } @article{LiuIgnatovaKimbergetal.2022, author = {Liu, Ji-Cai and Ignatova, Nina and Kimberg, Victor and Krasnov, Pavel and F{\"o}hlisch, Alexander and Simon, Marc and Gel'mukhanov, Faris}, title = {Time-resolved study of recoil-induced rotation by X-ray pump - X-ray probe spectroscopy}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {24}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {11}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d1cp05000a}, pages = {6627 -- 6638}, year = {2022}, abstract = {Modern stationary X-ray spectroscopy is unable to resolve rotational structure. In the present paper, we propose to use time-resolved two color X-ray pump-probe spectroscopy with picosecond resolution for real-time monitoring of the rotational dynamics induced by the recoil effect. The proposed technique consists of two steps. The first short pump X-ray pulse ionizes the valence electron, which transfers angular momentum to the molecule. The second time-delayed short probe X-ray pulse resonantly excites a 1s electron to the created valence hole. Due to the recoil-induced angular momentum the molecule rotates and changes the orientation of transition dipole moment of core-excitation with respect to the transition dipole moment of the valence ionization, which results in a temporal modulation of the probe X-ray absorption as a function of the delay time between the pulses. We developed an accurate theory of the X-ray pump-probe spectroscopy of the recoil-induced rotation and study how the energy of the photoelectron and thermal dephasing affect the structure of the time-dependent X-ray absorption using the CO molecule as a case-study. We also discuss the feasibility of experimental observation of our theoretical findings, opening new perspectives in studies of molecular rotational dynamics.}, language = {en} } @article{VoroshninTarasovBokaietal.2022, author = {Voroshnin, Vladimir and Tarasov, Artem V. and Bokai, Kirill A. and Chikina, Alla and Senkovskiy, Boris V. and Ehlen, Niels and Usachov, Dmitry Yu. and Gruneis, Alexander and Krivenkov, Maxim and Sanchez-Barriga, Jaime and Fedorov, Alexander}, title = {Direct spectroscopic evidence of magnetic proximity effect in MoS2 monolayer on graphene/Co}, series = {ACS nano}, volume = {16}, journal = {ACS nano}, number = {5}, publisher = {American Chemical Society}, address = {Washington}, issn = {1936-0851}, doi = {10.1021/acsnano.1c10391}, pages = {7448 -- 7456}, year = {2022}, abstract = {A magnetic field modifies optical properties and provides valley splitting in a molybdenum disulfide (MoS2) monolayer. Here we demonstrate a scalable approach to the epitaxial synthesis of MoS2 monolayer on a magnetic graphene/Co system. Using spin- and angle-resolved photoemission spectroscopy we observe a magnetic proximity effect that causes a 20 meV spin-splitting at the (Gamma) over bar point and canting of spins at the (K) over bar point in the valence band toward the in-plane direction of cobalt magnetization. Our density functional theory calculations reveal that the in-plane spin component at (K) over bar is localized on Co atoms in the valence band, while in the conduction band it is localized on the MoS2 layer. The calculations also predict a 16 meV spin-splitting at the (Gamma) over bar point and 8 meV (K) over bar-(K) over bar' valley asymmetry for an out-of-plane magnetization. These findings suggest control over optical transitions in MoS2 via Co magnetization. Our estimations show that the magnetic proximity effect is equivalent to the action of the magnetic field as large as 100 T.}, language = {en} } @article{AbiusoHolubecAndersetal.2022, author = {Abiuso, Paolo and Holubec, Viktor and Anders, Janet and Ye, Zhuolin and Cerisola, Federico and Perarnau-Llobet, Marti}, title = {Thermodynamics and optimal protocols of multidimensional quadratic Brownian systems}, series = {Journal of physics communications}, volume = {6}, journal = {Journal of physics communications}, number = {6}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {2399-6528}, doi = {10.1088/2399-6528/ac72f8}, pages = {15}, year = {2022}, abstract = {We characterize finite-time thermodynamic processes of multidimensional quadratic overdamped systems. Analytic expressions are provided for heat, work, and dissipation for any evolution of the system covariance matrix. The Bures-Wasserstein metric between covariance matrices naturally emerges as the local quantifier of dissipation. General principles of how to apply these geometric tools to identify optimal protocols are discussed. Focusing on the relevant slow-driving limit, we show how these results can be used to analyze cases in which the experimental control over the system is partial.}, language = {en} } @article{StojkoskiSandevKocarevetal.2022, author = {Stojkoski, Viktor and Sandev, Trifce and Kocarev, Ljupco and Pal, Arnab}, title = {Autocorrelation functions and ergodicity in diffusion with stochastic resetting}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {55}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {10}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/ac4ce9}, pages = {22}, year = {2022}, abstract = {Diffusion with stochastic resetting is a paradigm of resetting processes. Standard renewal or master equation approach are typically used to study steady state and other transport properties such as average, mean squared displacement etc. What remains less explored is the two time point correlation functions whose evaluation is often daunting since it requires the implementation of the exact time dependent probability density functions of the resetting processes which are unknown for most of the problems. We adopt a different approach that allows us to write a stochastic solution for a single trajectory undergoing resetting. Moments and the autocorrelation functions between any two times along the trajectory can then be computed directly using the laws of total expectation. Estimation of autocorrelation functions turns out to be pivotal for investigating the ergodic properties of various observables for this canonical model. In particular, we investigate two observables (i) sample mean which is widely used in economics and (ii) time-averaged-mean-squared-displacement (TAMSD) which is of acute interest in physics. We find that both diffusion and drift-diffusion processes with resetting are ergodic at the mean level unlike their reset-free counterparts. In contrast, resetting renders ergodicity breaking in the TAMSD while both the stochastic processes are ergodic when resetting is absent. We quantify these behaviors with detailed analytical study and corroborate with extensive numerical simulations. Our results can be verified in experimental set-ups that can track single particle trajectories and thus have strong implications in understanding the physics of resetting.}, language = {en} } @article{KimShprits2019, author = {Kim, Kyung-Chan and Shprits, Yuri Y.}, title = {Statistical Analysis of Hiss Waves in Plasmaspheric Plumes Using Van Allen Probe Observations}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {3}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026458}, pages = {1904 -- 1915}, year = {2019}, abstract = {Plasmaspheric hiss waves commonly observed in high-density regions in the Earth's magnetosphere are known to be one of the main contributors to the loss of radiation belt electrons. There has been a lot of effort to investigate the distributions of hiss waves in the plasmasphere, while relatively little attention has been given to those in the plasmaspheric plume. In this study, we present for the first time a statistical analysis of the occurrence and the spatial distribution of wave amplitudes and wave normal angles for hiss waves in plumes using Van Allen Probes observations during the period of October 2012 to December 2016. Statistical results show that a wide range of hiss wave amplitudes in plumes from a few picotesla to >100 pT is observed, but a modest (<20 pT) wave amplitude is more commonly observed regardless of geomagnetic activity in both the midnight-to-dawn and dusk sector. By contrast, stronger amplitude hiss occurs preferentially during geomagnetically active times in the dusk sector. The wave normal angles are distributed over a broad range from 0° to 90° with a bimodal distribution: a quasi-field-aligned population (<20°) with an occurrence rate of <60\% and an oblique one (>50°) with a relative low occurrence rate of ≲20\%. Therefore, from a statistical point of view, we confirm that the hiss intensity (a few tens of picotesla) and field-aligned hiss wave adopted in previous simulation studies are a reasonable assumption but stress that the activity dependence of the wave amplitude should be considered.}, language = {en} } @article{QinHudsonLietal.2019, author = {Qin, Murong and Hudson, Mary and Li, Zhao and Millan, Robyn and Shen, Xiaochen and Shprits, Yuri Y. and Woodger, Leslie and Jaynes, Allison and Kletzing, Craig}, title = {Investigating loss of relativistic electrons associated with EMIC Waves at low L values on 22 June 2015}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {6}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA025726}, pages = {4022 -- 4036}, year = {2019}, abstract = {In this study, rapid loss of relativistic radiation belt electrons at low L* values (2.4-3.2) during a strong geomagnetic storm on 22 June 2015 is investigated along with five possible loss mechanisms. Both the particle and wave data are obtained from the Van Allen Probes. Duskside H+ band electromagnetic ion cyclotron (EMIC) waves were observed during a rapid decrease of relativistic electrons with energy above 5.2 MeV occurring outside the plasma sphere during extreme magnetopause compression. Lower He+ composition and enriched O+ composition are found compared to typical values assumed in other studies of cyclotron resonant scattering of relativistic electrons by EMIC waves. Quantitative analysis demonstrates that even with the existence of He+ band EMIC waves, it is the H+ band EMIC waves that are likely to cause the depletion at small pitch angles and strong gradients in pitch angle distributions of relativistic electrons with energy above 5.2 MeV at low L values for this event. Very low frequency wave activity at other magnetic local time can be favorable for the loss of relativistic electrons at higher pitch angles. An illustrative calculation that combines the nominal pitch angle scattering rate due to whistler mode chorus at high pitch angles with the H+ band EMIC wave loss rate at low pitch angles produces loss on time scale observed at L = 2.4-3.2. At high L values and lower energies, radial loss to the magnetopause is a viable explanation.}, language = {en} } @article{SmirnovKronbergLatallerieetal.2019, author = {Smirnov, Artem G. and Kronberg, Elena A. and Latallerie, F. and Daly, Patrick W. and Aseev, Nikita and Shprits, Yuri Y. and Kellerman, Adam C. and Kasahara, Satoshi and Turner, Drew L. and Taylor, M. G. G. T.}, title = {Electron Intensity Measurements by the Cluster/RAPID/IES Instrument in Earth's Radiation Belts and Ring Current}, series = {Space Weather: The International Journal of Research and Applications}, volume = {17}, journal = {Space Weather: The International Journal of Research and Applications}, number = {4}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2018SW001989}, pages = {553 -- 566}, year = {2019}, abstract = {Plain Language Summary Radiation belts of the Earth, which are the zones of charged energetic particles trapped by the geomagnetic field, comprise enormous and dynamic systems. While the inner radiation belt, composed mainly of high-energy protons, is relatively stable, the outer belt, filled with energetic electrons, is highly variable and depends substantially on solar activity. Hence, extended reliable observations and the improved models of the electron intensities in the outer belt depending on solar wind parameters are necessary for prediction of their dynamics. The Cluster mission has been measuring electron flux intensities in the radiation belts since its launch in 2000, thus providing a huge dataset that can be used for radiation belts analysis. Using 16 years of electron measurements by the Cluster mission corrected for background contamination, we derived a uniform linear-logarithmic dependence of electron fluxes in the outer belt on the solar wind dynamic pressure.}, language = {en} } @article{DobyndeEffenbergerKartashovetal.2019, author = {Dobynde, M. I. and Effenberger, Frederic and Kartashov, D. A. and Shprits, Yuri Y. and Shurshakov, V. A.}, title = {Ray-tracing simulation of the radiation dose distribution on the surface of the spherical phantom of the MATROSHKA-R experiment onboard the ISS}, series = {Life sciences in space research}, volume = {21}, journal = {Life sciences in space research}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2214-5524}, doi = {10.1016/j.lssr.2019.04.001}, pages = {65 -- 72}, year = {2019}, abstract = {Space radiation is one of the main concerns for human space flights. The prediction of the radiation dose for the actual spacecraft geometry is very important for the planning of long-duration missions. We present a numerical method for the fast calculation of the radiation dose rate during a space flight. We demonstrate its application for dose calculations during the first and the second sessions of the MATROSHKA-R space experiment with a spherical tissue-equivalent phantom. The main advantage of the method is the short simulation time, so it can be applied for urgent radiation dose calculations for low-Earth orbit space missions. The method uses depth-dose curve and shield-and-composition distribution functions to calculate a radiation dose at the point of interest. The spacecraft geometry is processed into a shield-and-composition distribution function using a ray-tracing method. Depth-dose curves are calculated using the GEANT4 Monte-Carlo code (version 10.00.P02) for a double-layer aluminum-water shielding. Aluminum-water shielding is a good approximation of the real geometry, as water is a good equivalent for biological tissues, and aluminum is the major material of spacecraft bodies.}, language = {en} } @article{ZhuChenLiuetal.2019, author = {Zhu, Hui and Chen, Lunjin and Liu, Xu and Shprits, Yuri Y.}, title = {Modulation of locally generated equatorial noise by ULF wave}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {4}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026199}, pages = {2779 -- 2787}, year = {2019}, abstract = {In this paper we report a rare and fortunate event of fast magnetosonic (MS, also called equatorial noise) waves modulated by compressional ultralow frequency (ULF) waves measured by Van Allen Probes. The characteristics of MS waves, ULF waves, proton distribution, and their potential correlations are analyzed. The results show that ULF waves can modulate the energetic ring proton distribution and in turn modulate the MS generation. Furthermore, the variation of MS intensities is attributed to not only ULF wave activities but also the variation of background parameters, for example, number density. The results confirm the opinion that MS waves are generated by proton ring distribution and propose a new modulation phenomenon.}, language = {en} } @article{AdolfsHoqueShprits2022, author = {Adolfs, Marjolijn and Hoque, Mohammed Mainul and Shprits, Yuri Y.}, title = {Storm-time relative total electron content modelling using machine learning techniques}, series = {Remote sensing}, volume = {14}, journal = {Remote sensing}, number = {23}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs14236155}, pages = {17}, year = {2022}, abstract = {Accurately predicting total electron content (TEC) during geomagnetic storms is still a challenging task for ionospheric models. In this work, a neural-network (NN)-based model is proposed which predicts relative TEC with respect to the preceding 27-day median TEC, during storm time for the European region (with longitudes 30 degrees W-50 degrees E and latitudes 32.5 degrees N-70 degrees N). The 27-day median TEC (referred to as median TEC), latitude, longitude, universal time, storm time, solar radio flux index F10.7, global storm index SYM-H and geomagnetic activity index Hp30 are used as inputs and the output of the network is the relative TEC. The relative TEC can be converted to the actual TEC knowing the median TEC. The median TEC is calculated at each grid point over the European region considering data from the last 27 days before the storm using global ionosphere maps (GIMs) from international GNSS service (IGS) sources. A storm event is defined when the storm time disturbance index Dst drops below 50 nanotesla. The model was trained with storm-time relative TEC data from the time period of 1998 until 2019 (2015 is excluded) and contains 365 storms. Unseen storm data from 33 storm events during 2015 and 2020 were used to test the model. The UQRG GIMs were used because of their high temporal resolution (15 min) compared to other products from different analysis centers. The NN-based model predictions show the seasonal behavior of the storms including positive and negative storm phases during winter and summer, respectively, and show a mixture of both phases during equinoxes. The model's performance was also compared with the Neustrelitz TEC model (NTCM) and the NN-based quiet-time TEC model, both developed at the German Aerospace Agency (DLR). The storm model has a root mean squared error (RMSE) of 3.38 TEC units (TECU), which is an improvement by 1.87 TECU compared to the NTCM, where an RMSE of 5.25 TECU was found. This improvement corresponds to a performance increase by 35.6\%. The storm-time model outperforms the quiet-time model by 1.34 TECU, which corresponds to a performance increase by 28.4\% from 4.72 to 3.38 TECU. The quiet-time model was trained with Carrington averaged TEC and, therefore, is ideal to be used as an input instead of the GIM derived 27-day median. We found an improvement by 0.8 TECU which corresponds to a performance increase by 17\% from 4.72 to 3.92 TECU for the storm-time model using the quiet-time-model predicted TEC as an input compared to solely using the quiet-time model.}, language = {en} } @article{SmirnovBerrendorfShpritsetal.2020, author = {Smirnov, Artem and Berrendorf, Max and Shprits, Yuri Y. and Kronberg, Elena A. and Allison, Hayley J. and Aseev, Nikita and Zhelavskaya, Irina and Morley, Steven K. and Reeves, Geoffrey D. and Carver, Matthew R. and Effenberger, Frederic}, title = {Medium energy electron flux in earth's outer radiation belt (MERLIN)}, series = {Space weather : the international journal of research and applications}, volume = {18}, journal = {Space weather : the international journal of research and applications}, number = {11}, publisher = {American geophysical union, AGU}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2020SW002532}, pages = {20}, year = {2020}, abstract = {The radiation belts of the Earth, filled with energetic electrons, comprise complex and dynamic systems that pose a significant threat to satellite operation. While various models of electron flux both for low and relativistic energies have been developed, the behavior of medium energy (120-600 keV) electrons, especially in the MEO region, remains poorly quantified. At these energies, electrons are driven by both convective and diffusive transport, and their prediction usually requires sophisticated 4D modeling codes. In this paper, we present an alternative approach using the Light Gradient Boosting (LightGBM) machine learning algorithm. The Medium Energy electRon fLux In Earth's outer radiatioN belt (MERLIN) model takes as input the satellite position, a combination of geomagnetic indices and solar wind parameters including the time history of velocity, and does not use persistence. MERLIN is trained on >15 years of the GPS electron flux data and tested on more than 1.5 years of measurements. Tenfold cross validation yields that the model predicts the MEO radiation environment well, both in terms of dynamics and amplitudes o f flux. Evaluation on the test set shows high correlation between the predicted and observed electron flux (0.8) and low values of absolute error. The MERLIN model can have wide space weather applications, providing information for the scientific community in the form of radiation belts reconstructions, as well as industry for satellite mission design, nowcast of the MEO environment, and surface charging analysis.}, language = {en} } @article{WalkerBoyntonShpritsetal.2022, author = {Walker, Simon N. and Boynton, Richard J. and Shprits, Yuri Y. and Balikhin, Michael A. and Drozdov, Alexander}, title = {Forecast of the energetic electron environment of the radiation belts}, series = {Space Weather: The International Journal of Research and Applications}, volume = {20}, journal = {Space Weather: The International Journal of Research and Applications}, number = {12}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2022SW003124}, pages = {21}, year = {2022}, abstract = {Different modeling methodologies possess different strengths and weakness. For instance, data based models may provide superior accuracy but have a limited spatial coverage while physics based models may provide lower accuracy but provide greater spatial coverage. This study investigates the coupling of a data based model of the electron fluxes at geostationary orbit (GEO) with a numerical model of the radiation belt region to improve the resulting forecasts/pastcasts of electron fluxes over the whole radiation belt region. In particular, two coupling methods are investigated. The first assumes an average value for L* for GEO, namely LGEO* L-GEO* = 6.2. The second uses a value of L* that varies with geomagnetic activity, quantified using the Kp index. As the terrestrial magnetic field responds to variations in geomagnetic activity, the value of L* will vary for a specific location. In this coupling method, the value of L* is calculated using the Kp driven Tsyganenko 89c magnetic field model for field line tracing. It is shown that this addition can result in changes in the initialization of the parameters at the Versatile Electron Radiation Belt model outer boundary. Model outputs are compared to Van Allen Probes MagEIS measurements of the electron fluxes in the inner magnetosphere for the March 2015 geomagnetic storm. It is found that the fixed LGEO* L-GEO* coupling method produces a more realistic forecast.}, language = {en} } @article{HaasShpritsAllisonetal.2022, author = {Haas, Bernhard and Shprits, Yuri Y. and Allison, Hayley and Wutzig, Michael and Wang, Dedong}, title = {Which parameter controls ring current electron dynamics}, series = {Frontiers in astronomy and space sciences}, volume = {9}, journal = {Frontiers in astronomy and space sciences}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-987X}, doi = {10.3389/fspas.2022.911002}, pages = {11}, year = {2022}, abstract = {Predicting the electron population of Earth's ring current during geomagnetic storms still remains a challenging task. In this work, we investigate the sensitivity of 10 keV ring current electrons to different driving processes, parameterised by the Kp index, during several moderate and intense storms. Results are validated against measurements from the Van Allen Probes satellites. Perturbing the Kp index allows us to identify the most dominant processes for moderate and intense storms respectively. We find that during moderate storms (Kp < 6) the drift velocities mostly control the behaviour of low energy electrons, while loss from wave-particle interactions is the most critical parameter for quantifying the evolution of intense storms (Kp > 6). Perturbations of the Kp index used to drive the boundary conditions at GEO and set the plasmapause location only show a minimal effect on simulation results over a limited L range. It is further shown that the flux at L \& SIM; 3 is more sensitive to changes in the Kp index compared to higher L shells, making it a good proxy for validating the source-loss balance of a ring current model.}, language = {en} } @article{KuehnMuellerSorgenfreietal.2019, author = {K{\"u}hn, Danilo and M{\"u}ller, Moritz and Sorgenfrei, Nomi and Giangrisostomi, Erika and Jay, Raphael Martin and Ovsyannikov, Ruslan and Martensson, Nils and Sanchez-Portal, Daniel and F{\"o}hlisch, Alexander}, title = {Directional sub-femtosecond charge transfer dynamics and the dimensionality of 1T-TaS2}, series = {Scientific reports}, volume = {9}, journal = {Scientific reports}, number = {488}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-018-36637-0}, pages = {9}, year = {2019}, abstract = {For the layered transition metal dichalcogenide 1T-TaS2, we establish through a unique experimental approach and density functional theory, how ultrafast charge transfer in 1T-TaS2 takes on isotropic three-dimensional character or anisotropic two-dimensional character, depending on the commensurability of the charge density wave phases of 1T-TaS2. The X-ray spectroscopic core-hole-clock method prepares selectively in-and out-of-plane polarized sulfur 3p orbital occupation with respect to the 1T-TaS2 planes and monitors sub-femtosecond wave packet delocalization. Despite being a prototypical two-dimensional material, isotropic three-dimensional charge transfer is found in the commensurate charge density wave phase (CCDW), indicating strong coupling between layers. In contrast, anisotropic two-dimensional charge transfer occurs for the nearly commensurate phase (NCDW). In direct comparison, theory shows that interlayer interaction in the CCDW phase - not layer stacking variations - causes isotropic three-dimensional charge transfer. This is presumably a general mechanism for phase transitions and tailored properties of dichalcogenides with charge density waves.}, language = {en} } @article{WoodfieldHorneGlauertetal.2018, author = {Woodfield, Emma E. and Horne, Richard B. and Glauert, S. A. and Menietti, J. D. and Shprits, Yuri Y. and Kurth, William S.}, title = {Formation of electron radiation belts at Saturn by Z-mode wave acceleration}, series = {Nature Communications}, volume = {9}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-018-07549-4}, pages = {7}, year = {2018}, abstract = {At Saturn electrons are trapped in the planet's magnetic field and accelerated to relativistic energies to form the radiation belts, but how this dramatic increase in electron energy occurs is still unknown. Until now the mechanism of radial diffusion has been assumed but we show here that in-situ acceleration through wave particle interactions, which initial studies dismissed as ineffectual at Saturn, is in fact a vital part of the energetic particle dynamics there. We present evidence from numerical simulations based on Cassini spacecraft data that a particular plasma wave, known as Z-mode, accelerates electrons to MeV energies inside 4 RS (1 RS = 60,330 km) through a Doppler shifted cyclotron resonant interaction. Our results show that the Z-mode waves observed are not oblique as previously assumed and are much better accelerators than O-mode waves, resulting in an electron energy spectrum that closely approaches observed values without any transport effects included.}, language = {en} } @article{CaoNiSummersetal.2019, author = {Cao, Xing and Ni, Binbin and Summers, Danny and Shprits, Yuri Y. and Gu, Xudong and Fu, Song and Lou, Yuequn and Zhang, Yang and Ma, Xin and Zhang, Wenxun and Huang, He and Yi, Juan}, title = {Sensitivity of EMIC wave-driven scattering loss of ring current protons to wave normal angle distribution}, series = {Geophysical research letters}, volume = {46}, journal = {Geophysical research letters}, number = {2}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1029/2018GL081550}, pages = {590 -- 598}, year = {2019}, abstract = {Electromagnetic ion cyclotron waves have long been recognized to play a crucial role in the dynamic loss of ring current protons. While the field-aligned propagation approximation of electromagnetic ion cyclotron waves was widely used to quantify the scattering loss of ring current protons, in this study, we find that the wave normal distribution strongly affects the pitch angle scattering efficiency of protons. Increase of peak normal angle or angular width can considerably reduce the scattering rates of <= 10 keV protons. For >10 keV protons, the field-aligned propagation approximation results in a pronounced underestimate of the scattering of intermediate equatorial pitch angle protons and overestimates the scattering of high equatorial pitch angle protons by orders of magnitude. Our results suggest that the wave normal distribution of electromagnetic ion cyclotron waves plays an important role in the pitch angle evolution and scattering loss of ring current protons and should be incorporated in future global modeling of ring current dynamics.}, language = {en} } @article{GiangrisostomiOvsyannikovSorgenfreietal.2018, author = {Giangrisostomi, Erika and Ovsyannikov, Ruslan and Sorgenfrei, Nomi and Zhang, Teng and Lindblad, Andreas and Sassa, Yasmine and Cappel, Ute B. and Leitner, Torsten and Mitzner, Rolf and Svensson, Svante and Martensson, Nils and F{\"o}hlisch, Alexander}, title = {Low Dose Photoelectron Spectroscopy at BESSY II}, series = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy}, volume = {224}, journal = {Journal of electron spectroscopy and related phenomena : the international journal on theoretical and experimental aspects of electron spectroscopy}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0368-2048}, doi = {10.1016/j.elspec.2017.05.011}, pages = {68 -- 78}, year = {2018}, abstract = {The implementation of a high-transmission, angular-resolved time-of-Right electron spectrometer with a 1.25 MHz pulse selector at the PM4 soft X-ray dipole beamline of the synchrotron BESSY II creates unique capabilities to inquire electronic structure via photoelectron spectroscopy with a minimum of radiation dose. Solid-state samples can be prepared and characterized with standard UHV techniques and rapidly transferred from various preparation chambers to a 4-axis temperature-controlled measurement stage. A synchronized MHz laser system enables excited-state characterization and dynamical studies starting from the picosecond timescale. This article introduces the principal characteristics of the PM4 beamline and LowDosePES end-station. Recent results from graphene, an organic hole transport material for solar cells and the transition metal dichalcogenide MoS2 are presented to demonstrate the instrument performances.}, language = {en} } @article{PontiusBeyeTrabantetal.2018, author = {Pontius, Niko and Beye, Martin and Trabant, Christoph and Mitzner, Rolf and Sorgenfrei, Nomi and Kachel, Torsten and Woestmann, Michael and Roling, Sebastian and Zacharias, Helmut and Ivanov, Rosen and Treusch, Rolf and Buchholz, Marcel and Metcalf, Pete and Schuessler-Langeheine, Christian and F{\"o}hlisch, Alexander}, title = {Probing the non-equilibrium transient state in magnetite by a jitter-free two-color X-ray pump and X-ray probe experiment}, series = {Structural dynamics}, volume = {5}, journal = {Structural dynamics}, number = {5}, publisher = {American Institute of Physics}, address = {Melville}, issn = {2329-7778}, doi = {10.1063/1.5042847}, pages = {8}, year = {2018}, abstract = {We present a general experimental concept for jitter-free pump and probe experiments at free electron lasers. By generating pump and probe pulse from one and the same X-ray pulse using an optical split-and-delay unit, we obtain a temporal resolution that is limited only by the X-ray pulse lengths. In a two-color X-ray pump and X-ray probe experiment with sub 70 fs temporal resolution, we selectively probe the response of orbital and charge degree of freedom in the prototypical functional oxide magnetite after photoexcitation. We find electronic order to be quenched on a time scale of (30 +/- 30) fs and hence most likely faster than what is to be expected for any lattice dynamics. Our experimental result hints to the formation of a short lived transient state with decoupled electronic and lattice degree of freedom in magnetite. The excitation and relaxation mechanism for X-ray pumping is discussed within a simple model leading to the conclusion that within the first 10 fs the original photoexcitation decays into low-energy electronic excitations comparable to what is achieved by optical pump pulse excitation. Our findings show on which time scales dynamical decoupling of degrees of freedom in functional oxides can be expected and how to probe this selectively with soft X-ray pulses. Results can be expected to provide crucial information for theories for ultrafast behavior of materials and help to develop concepts for novel switching devices. (C) 2018 Author(s).}, language = {en} } @article{WangShpritsZhelayskayaetal.2019, author = {Wang, Dedong and Shprits, Yuri Y. and Zhelayskaya, Irina S. and Agapitov, Oleksiy and Drozdov, Alexander and Aseev, Nikita}, title = {Analytical chorus wave model derived from van Allen Probe Observations}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {2}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026183}, pages = {1063 -- 1084}, year = {2019}, abstract = {Chorus waves play an important role in the dynamic evolution of energetic electrons in the Earth's radiation belts and ring current. Using more than 5 years of Van Allen Probe data, we developed a new analytical model for upper-band chorus (UBC; 0.5fce < f < fce) and lower-band chorus (LBC; 0.05fce < f < 0.5fce) waves, where fce is the equatorial electron gyrofrequency. By applying polynomial fits to chorus wave root mean square amplitudes, we developed regression models for LBC and UBC as a function of geomagnetic activity (Kp), L, magnetic latitude (λ), and magnetic local time (MLT). Dependence on Kp is separated from the dependence on λ, L, and MLT as Kp-scaling law to simplify the calculation of diffusion coefficients and inclusion into particle tracing codes. Frequency models for UBC and LBC are also developed, which depends on MLT and magnetic latitude. This empirical model is valid in all MLTs, magnetic latitude up to 20°, Kp ≤ 6, L-shell range from 3.5 to 6 for LBC and from 4 to 6 for UBC. The dependence of root mean square amplitudes on L are different for different bands, which implies different energy sources for different wave bands. This analytical chorus wave model is convenient for inclusion in quasi-linear diffusion calculations of electron scattering rates and particle simulations in the inner magnetosphere, especially for the newly developed four-dimensional codes, which require significantly improved wave parameterizations.}, language = {en} } @article{CastilloShpritsGanushkinaetal.2019, author = {Castillo, Angelica M. and Shprits, Yuri Y. and Ganushkina, Natalia and Drozdov, Alexander and Aseev, Nikita and Wang, Dedong and Dubyagin, Stepan}, title = {Simulations of the inner magnetospheric energetic electrons using the IMPTAM-VERB coupled model}, series = {Journal of Atmospheric and Solar-Terrestrial Physics}, volume = {191}, journal = {Journal of Atmospheric and Solar-Terrestrial Physics}, publisher = {Elsevier}, address = {Oxford}, issn = {1364-6826}, doi = {10.1016/j.jastp.2019.05.014}, pages = {17}, year = {2019}, abstract = {In this study, we present initial results of the coupling between the Inner Magnetospheric Particle Transport and Acceleration Model (IMPTAM) and the Versatile Electron Radiation Belt (VERB-3D) code. IMPTAM traces electrons of 10-100 keV energies from the plasma sheet (L = 9 Re) to inner L-shell regions. The flux evolution modeled by IMPTAM is used at the low energy and outer L* computational boundaries of the VERB code (assuming a dipole approximation) to perform radiation belt simulations of energetic electrons. The model was tested on the March 17th, 2013 storm, for a six-day period. Four different simulations were performed and their results compared to satellites observations from Van Allen probes and GOES. The coupled IMPTAM-VERB model reproduces evolution and storm-time features of electron fluxes throughout the studied storm in agreement with the satellite data (within similar to 0.5 orders of magnitude). Including dynamics of the low energy population at L* = 6.6 increases fluxes closer to the heart of the belt and has a strong impact in the VERB simulations at all energies. However, inclusion of magnetopause losses leads to drastic flux decreases even below L* = 3. The dynamics of low energy electrons (max. 10s of keV) do not affect electron fluxes at energies >= 900 keV. Since the IMPTAM-VERB coupled model is only driven by solar wind parameters and the Dst and Kp indexes, it is suitable as a forecasting tool. In this study, we demonstrate that the estimation of electron dynamics with satellite-data-independent models is possible and very accurate.}, language = {en} } @article{WoodfieldGlauertMeniettietal.2019, author = {Woodfield, Emma E. and Glauert, Saraha A. and Menietti, J. Douglas and Averkamp, Terrance F. and Horne, Richard B. and Shprits, Yuri Y.}, title = {Rapid Electron Acceleration in Low-Density Regions of Saturn's Radiation Belt by Whistler Mode Chorus Waves}, series = {Geophysical research letters}, volume = {46}, journal = {Geophysical research letters}, number = {13}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1029/2019GL083071}, pages = {7191 -- 7198}, year = {2019}, abstract = {Electron acceleration at Saturn due to whistler mode chorus waves has previously been assumed to be ineffective; new data closer to the planet show it can be very rapid (factor of 104 flux increase at 1 MeV in 10 days compared to factor of 2). A full survey of chorus waves at Saturn is combined with an improved plasma density model to show that where the plasma frequency falls below the gyrofrequency additional strong resonances are observed favoring electron acceleration. This results in strong chorus acceleration between approximately 2.5 R-S and 5.5 R-S outside which adiabatic transport may dominate. Strong pitch angle dependence results in butterfly pitch angle distributions that flatten over a few days at 100s keV, tens of days at MeV energies which may explain observations of butterfly distributions of MeV electrons near L = 3. Including cross terms in the simulations increases the tendency toward butterfly distributions. Plain Language Summary Radiation belts are hazardous regions found around several of the planets in our Solar System. They consist of very hot, electrically charged particles trapped in the magnetic field of the planet. At Saturn the most important way to heat these particles has for many years been thought to involve the particles drifting closer toward the planet. This paper adds to the emerging idea at Saturn that a different way to heat the particles is also possible where the heating is done by waves, in a similar way to what we find at the Earth. We use recent information from the Cassini spacecraft on the number and location of particles and also of the waves strength and location combined with computer simulations to show that a particular wave called chorus is excellent at heating the particles where the surrounding number of cold particles is low.}, language = {en} } @article{DentonOfmanShpritsetal.2019, author = {Denton, Richard E. and Ofman, L. and Shprits, Yuri Y. and Bortnik, J. and Millan, R. M. and Rodger, C. J. and da Silva, C. L. and Rogers, B. N. and Hudson, M. K. and Liu, K. and Min, K. and Glocer, A. and Komar, C.}, title = {Pitch Angle Scattering of Sub-MeV Relativistic Electrons by Electromagnetic Ion Cyclotron Waves}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {7}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9402}, doi = {10.1029/2018JA026384}, pages = {5610 -- 5626}, year = {2019}, abstract = {Electromagnetic ion cyclotron (EMIC) waves have long been considered to be a significant loss mechanism for relativistic electrons. This has most often been attributed to resonant interactions with the highest amplitude waves. But recent observations have suggested that the dominant energy of electrons precipitated to the atmosphere may often be relatively low, less than 1 MeV, whereas the minimum resonant energy of the highest amplitude waves is often greater than 2 MeV. Here we use relativistic electron test particle simulations in the wavefields of a hybrid code simulation of EMIC waves in dipole geometry in order to show that significant pitch angle scattering can occur due to interaction with low-amplitude short-wavelength EMIC waves. In the case we examined, these waves are in the H band (at frequencies above the He+ gyrofrequency), even though the highest amplitude waves were in the He band frequency range (below the He+ gyrofrequency). We also present wave power distributions for 29 EMIC simulations in straight magnetic field line geometry that show that the high wave number portion of the spectrum is in every case mostly due to the H band waves. Though He band waves are often associated with relativistic electron precipitation, it is possible that the He band waves do not directly scatter the sub-megaelectron volts (sub-MeV) electrons, but that the presence of He band waves is associated with high plasma density which lowers the minimum resonant energy so that these electrons can more easily resonate with the H band waves.}, language = {en} } @article{KuehnGiangrisostomiJayetal.2019, author = {K{\"u}hn, Danilo and Giangrisostomi, Erika and Jay, Raphael Martin and Sorgenfrei, Nomi and F{\"o}hlisch, Alexander}, title = {The influence of x-ray pulse length on space-charge effects in optical pump/x-ray probe photoemission}, series = {New journal of physics : the open-access journal for physics}, volume = {21}, journal = {New journal of physics : the open-access journal for physics}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1367-2630}, doi = {10.1088/1367-2630/ab2f5c}, pages = {12}, year = {2019}, abstract = {Pump-probe photoelectron spectroscopy (PES) is a versatile tool to investigate the dynamics of transient states of excited matter. Vacuum space-charge effects can mask these dynamics and complicate the interpretation of electron spectra. Here we report on space-charge effects in Au 4f photoemission from a polycrystalline gold surface, excited with moderately intense 90 ps (FWHM) soft x-ray probe pulses, under the influence of the Coulomb forces exerted by a pump electron cloud, which was produced by intense 40 fs laser pulses. The experimentally observed kinetic energy shift and spectral broadening of the Au 4f lines, measured with highly-efficient time-of-flight spectroscopy, are in good agreement with simulations utilizing a mean-field model of the electrostatic pump electron potential. This confirms that the line broadening is predominantly caused by variations in the take-off time of the probe electrons without appreciable influence of local scattering events. Our findings might be of general interest for pump-probe PES with picosecond-pulse-length sources.}, language = {en} } @article{ShpritsVasileZhelayskaya2019, author = {Shprits, Yuri Y. and Vasile, Ruggero and Zhelayskaya, Irina S.}, title = {Nowcasting and Predicting the Kp Index Using Historical Values and Real-Time Observations}, series = {Space Weather: The International Journal of Research and Applications}, volume = {17}, journal = {Space Weather: The International Journal of Research and Applications}, number = {8}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2018SW002141}, pages = {1219 -- 1229}, year = {2019}, abstract = {Current algorithms for the real-time prediction of the Kp index use a combination of models empirically driven by solar wind measurements at the L1 Lagrange point and historical values of the index. In this study, we explore the limitations of this approach, examining the forecast for short and long lead times using measurements at L1 and Kp time series as input to artificial neural networks. We explore the relative efficiency of the solar wind-based predictions, predictions based on recurrence, and predictions based on persistence. Our modeling results show that for short-term forecasts of approximately half a day, the addition of the historical values of Kp to the measured solar wind values provides a barely noticeable improvement. For a longer-term forecast of more than 2 days, predictions can be made using recurrence only, while solar wind measurements provide very little improvement for a forecast with long horizon times. We also examine predictions for disturbed and quiet geomagnetic activity conditions. Our results show that the paucity of historical measurements of the solar wind for high Kp results in a lower accuracy of predictions during disturbed conditions. Rebalancing of input data can help tailor the predictions for more disturbed conditions.}, language = {en} } @article{DrozdovAseevEffenbergeretal.2019, author = {Drozdov, Alexander and Aseev, Nikita and Effenberger, Frederic and Turner, Drew L. and Saikin, Anthony and Shprits, Yuri Y.}, title = {Storm Time Depletions of Multi-MeV Radiation Belt Electrons Observed at Different Pitch Angles}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {11}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2019JA027332}, pages = {8943 -- 8953}, year = {2019}, abstract = {During geomagnetic storms, the rapid depletion of the high-energy (several MeV) outer radiation belt electrons is the result of loss to the interplanetary medium through the magnetopause, outward radial diffusion, and loss to the atmosphere due to wave-particle interactions. We have performed a statistical study of 110 storms using pitch angle resolved electron flux measurements from the Van Allen Probes mission and found that inside of the radiation belt (L* = 3 - 5) the number of storms that result in depletion of electrons with equatorial pitch angle alpha(eq) = 30 degrees is higher than number of storms that result in depletion of electrons with equatorial pitch angle alpha(eq) = 75 degrees. We conclude that this result is consistent with electron scattering by whistler and electromagnetic ion cyclotron waves. At the outer edge of the radiation belt (L* >= 5.2) the number of storms that result in depletion is also large (similar to 40-50\%), emphasizing the significance of the magnetopause shadowing effect and outward radial transport.}, language = {en} } @article{KimShprits2018, author = {Kim, Kyung-Chan and Shprits, Yuri Y.}, title = {Survey of the Favorable Conditions for Magnetosonic Wave Excitation}, series = {Journal of geophysical research : Space physics}, volume = {123}, journal = {Journal of geophysical research : Space physics}, number = {1}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1002/2017JA024865}, pages = {400 -- 413}, year = {2018}, abstract = {The ratio of the proton ring velocity (VR) to the local Alfven speed (VA), in addition to proton ring distributions, plays a key factor in the excitation of magnetosonic waves at frequencies between the proton cyclotron frequency fcp and the lower hybrid resonance frequency fLHR in the Earth's magnetosphere. Here we investigate whether there is a statistically significant relationship between occurrences of proton rings and magnetosonic waves both outside and inside the plasmapause using particle and wave data from Van Allen Probe-A during the time period of October 2012 to December 2015. We also perform a statistical survey of the ratio of the ring energy (ER, corresponding to VR) to the Alfven energy (EA, corresponding to VA) to determine the favorable conditions under which magnetosonic waves in each of two frequency bands (fcp < f ≤ 0.5 fLHR and 0.5 fLHR < f < fLHR) can be excited. The results show that the magnetosonic waves in both frequency bands occur around the postnoon (12-18 magnetic local time, MLT) sector outside the plasmapause when ER is comparable to or lower than EA, and those in lower-frequency bands (fcp < f ≤ 0.5 fLHR) occur around the postnoon sector inside the plasmapause when ER/EA > ~9. However, there is one discrepancy between occurrences of proton rings and magnetosonic waves in low-frequency bands around the prenoon sector (6-12 MLT) outside the plasmapause, which suggests either that the waves may have propagated during active time from the postnoon sector after being excited during quiet time, or they may have locally excited in the prenoon sector during active time.}, language = {en} } @article{ShpritsKellermanAseevetal.2017, author = {Shprits, Yuri Y. and Kellerman, Adam C . and Aseev, Nikita and Drozdov, Alexander and Michaelis, Ingo}, title = {Multi-MeV electron loss in the heart of the radiation belts}, series = {Geophysical research letters}, volume = {44}, journal = {Geophysical research letters}, number = {3}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1002/2016GL072258}, pages = {1204 -- 1209}, year = {2017}, abstract = {Significant progress has been made in recent years in understanding acceleration mechanisms in the Earth's radiation belts. In particular, a number of studies demonstrated the importance of the local acceleration by analyzing the radial profiles of phase space density (PSD) and observing building up peaks in PSD. In this study, we focus on understanding of the local loss using very similar tools. The profiles of PSD for various values of the first adiabatic invariants during the previously studied 17 January 2013 storm are presented and discussed. The profiles of PSD show clear deepening minimums consistent with the scattering by electromagnetic ion cyclotron waves. Long-term evolution shows that local minimums in PSD can persist for relatively long times. During considered interval of time the deepening minimums were observed around L* = 4 during 17 January 2013 storm and around L* = 3.5 during 1 March 2013 storm. This study shows a new method that can help identify the location, magnitude, and time of the local loss and will help quantify local loss in the future. This study also provides additional clear and definitive evidence that local loss plays a major role for the dynamics of the multi-MeV electrons.}, language = {en} } @article{LiBenduhnLietal.2018, author = {Li, Tian-yi and Benduhn, Johannes and Li, Yue and Jaiser, Frank and Spoltore, Donato and Zeika, Olaf and Ma, Zaifei and Neher, Dieter and Vandewal, Koen and Leo, Karl}, title = {Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells}, series = {Journal of materials chemistry : A, Materials for energy and sustainability}, volume = {6}, journal = {Journal of materials chemistry : A, Materials for energy and sustainability}, number = {38}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7488}, doi = {10.1039/c8ta06261g}, pages = {18583 -- 18591}, year = {2018}, abstract = {Three furan-fused BODIPYs were synthesized with perfluorinated methyl, ethyl and n-propyl groups on the meso-carbon. They were obtained with high yields by reacting the furan-fused 2-carboxylpyrrole in corresponding perfluorinated acid and anhydride. With the increase in perfluorinated alkyl chain length, the molecular packing in the single crystal is influenced, showing increasing stacking distance and decreasing slope angle. All the BODIPYs were characterized as intense absorbers in near infrared region in solid state, peaking at similar to 800 nm with absorption coefficient of over 280 000 cm(-1). Facilitated by high thermal stability, the furan-fused BODIPYs were employed in vacuum-deposited organic solar cells as electron donors. All devices exhibit PCE over 6.0\% with the EQE maximum reaching 70\% at similar to 790 nm. The chemical modification of the BODIPY donors have certain influence on the active layer morphology, and the highest PCE of 6.4\% was obtained with a notably high jsc of 13.6 mA cm(-2). Sensitive EQE and electroluminance studies indicated that the energy losses generated by the formation of a charge transfer state and the radiative recombination at the donor-acceptor interface were comparable in the range of 0.14-0.19 V, while non-radiative recombination energy loss of 0.38 V was the main energy loss route resulting in the moderate V-oc of 0.76 V.}, language = {en} }