@inproceedings{21575, author = {{Wecker, Christian and Hoppe, Anna and Schulz, Andreas and Heine, Jens and Bart, Hans-Jörg and Kenig, Eugeny}}, publisher = {{Jahrestreffen der ProcessNet-Fachgruppe Wärme- und Stofftransport}}, title = {{{Numerische Untersuchungen zu Fluiddynamik und Stofftransport binärer Tropfeninteraktion unter Berücksichtigung von Marangonikonvektion}}}, year = {{2021}}, } @inproceedings{21576, author = {{Schulz, Andreas and Wecker, Christian and Kenig, Eugeny}}, publisher = {{Jahrestreffen der ProcessNet-Fachgruppe Mehrphasenströmung}}, title = {{{Mehrkomponenten-Stofftransport an bewegten Phasengrenzflächen unter Berücksichtigung von Diffusionskreuzeffekten}}}, year = {{2021}}, } @inproceedings{23402, author = {{Bertling, René and Hack, Mathias and Ausner, Ilja and Horschitz, Bernhardt and Kenig, Eugeny}}, title = {{{CFD-basierte Untersuchung von Zweiphasenströmungen in strukturierten Packungen}}}, year = {{2021}}, } @inproceedings{20857, author = {{Camberg, Alan Adam and Tröster, Thomas and Latuske, Clemens}}, location = {{Wolfsburg}}, publisher = {{Springer}}, title = {{{Development of a hybrid crash-relevant car body component with load-adapted thickness properties: Design, manufacturing and testing}}}, doi = {{https://doi.org/10.1007/978-3-662-62924-6_28}}, year = {{2021}}, } @inproceedings{22480, abstract = {{In this publication important aspects for the implementation of inductive locating are explained. The miniaturized sensor platform called Sens-o-Spheres is used as an application of this locating method. The sensor platform is applied in bioreactors in order to obtain the environmental parameters, which makes a localization by magnetic fields necessary. Since the properties of magnetic fields in the localization area are very different from the wave characteristics, the principle of inductive localization is investigated in this publication and explained by using electrical equivalent circuit diagrams. Thereby, inductive localization uses the coupling or the mutual inductivities between coils, which is noticeable by an induced voltage. Therefore some properties and procedures are explained to extract the location of Sens-o-Spheres or other industrial sensor platforms from the couplings of the coils. One method calculates the location from an adapted ratio calculation and the other method uses neural networks and stochastic filters to obtain the results. In the end, these results are evaluated and compared.}}, author = {{Lange, Sven and Schröder, Dominik and Hedayat, Christian and Kuhn, Harald and Hilleringmann, Ulrich}}, booktitle = {{22nd IEEE International Conference on Industrial Technology (ICIT)}}, isbn = {{9781728157306}}, keywords = {{Location awareness, Coils, Couplings, Nonuniform electric fields, Magnetic separation, Neural networks, Training data}}, location = {{Valencia, Spain }}, publisher = {{IEEE}}, title = {{{Development of Methods for Coil-Based Localization by Magnetic Fields of Miniaturized Sensor Platforms in Bioprocesses}}}, doi = {{10.1109/icit46573.2021.9453609}}, year = {{2021}}, } @inproceedings{21953, author = {{Witschen, Linus Matthias and Wiersema, Tobias and Raeisi Nafchi, Masood and Bockhorn, Arne and Platzner, Marco}}, booktitle = {{Proceedings of International Symposium on Applied Reconfigurable Computing (ARC'21)}}, editor = {{Hannig, Frank and Derrien, Steven and Diniz, Pedro and Chillet, Daniel}}, location = {{Virtual conference}}, publisher = {{Springer Lecture Notes in Computer Science}}, title = {{{Timing Optimization for Virtual FPGA Configurations}}}, doi = {{10.1007/978-3-030-79025-7_4}}, year = {{2021}}, } @article{21064, author = {{Tinkloh, Steffen Rainer and Wu, Tao and Tröster, Thomas and Niendorf, Thomas}}, issn = {{2075-4701}}, journal = {{Metals}}, title = {{{The Effect of Fiber Waviness on the Residual Stress State and Its Prediction by the Hole Drilling Method in Fiber Metal Laminates: A Global-Local Finite Element Analysis}}}, doi = {{10.3390/met11010156}}, year = {{2021}}, } @article{22925, author = {{Claes, Leander and Chatwell, René Spencer and Baumhögger, Elmar and Hetkämper, Tim and Zeipert, Henning and Vrabec, Jadran and Henning, Bernd}}, issn = {{0263-2241}}, journal = {{Measurement}}, title = {{{Measurement procedure for acoustic absorption and bulk viscosity of liquids}}}, doi = {{10.1016/j.measurement.2021.109919}}, year = {{2021}}, } @article{32243, abstract = {{Abstract The defining feature of active particles is that they constantly propel themselves by locally converting chemical energy into directed motion. This active self-propulsion prevents them from equilibrating with their thermal environment (e.g. an aqueous solution), thus keeping them permanently out of equilibrium. Nevertheless, the spatial dynamics of active particles might share certain equilibrium features, in particular in the steady state. We here focus on the time-reversal symmetry of individual spatial trajectories as a distinct equilibrium characteristic. We investigate to what extent the steady-state trajectories of a trapped active particle obey or break this time-reversal symmetry. Within the framework of active Ornstein–Uhlenbeck particles we find that the steady-state trajectories in a harmonic potential fulfill path-wise time-reversal symmetry exactly, while this symmetry is typically broken in anharmonic potentials.}}, author = {{Dabelow, Lennart and Bo, Stefano and Eichhorn, Ralf}}, issn = {{1742-5468}}, journal = {{Journal of Statistical Mechanics: Theory and Experiment}}, keywords = {{Statistics, Probability and Uncertainty, Statistics and Probability, Statistical and Nonlinear Physics}}, number = {{3}}, publisher = {{IOP Publishing}}, title = {{{How irreversible are steady-state trajectories of a trapped active particle?}}}, doi = {{10.1088/1742-5468/abe6fd}}, volume = {{2021}}, year = {{2021}}, } @unpublished{32244, abstract = {{We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine learning potentials. We achieve this breakthrough by combining innovations in linear-scaling AIMD, efficient and approximate sparse linear algebra, low and mixed-precision floating-point computation on GPUs, and a compensation scheme for the errors introduced by numerical approximations. The core of our work is the non-orthogonalized local submatrix method (NOLSM), which scales very favorably to massively parallel computing systems and translates large sparse matrix operations into highly parallel, dense matrix operations that are ideally suited to hardware accelerators. We demonstrate that the NOLSM method, which is at the center point of each AIMD step, is able to achieve a sustained performance of 324 PFLOP/s in mixed FP16/FP32 precision corresponding to an efficiency of 67.7% when running on 1536 NVIDIA A100 GPUs.}}, author = {{Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Schütt, Ole and Lazzaro, Alfio and Pabst, Hans and Mohr, Stephan and Hutter, Jürg and Kühne, Thomas D. and Plessl, Christian}}, booktitle = {{arXiv:2104.08245}}, title = {{{Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms}}}, year = {{2021}}, } @article{22220, abstract = {{Abstract Developing resource-abundant and sustainable metal-free bifunctional oxygen electrocatalysts is essential for the practical application of zinc–air batteries (ZABs). 2D black phosphorus (BP) with fully exposed atoms and active lone pair electrons can be promising for oxygen electrocatalysts, which, however, suffers from low catalytic activity and poor electrochemical stability. Herein, guided by density functional theory (DFT) calculations, an efficient metal-free electrocatalyst is demonstrated via covalently bonding BP nanosheets with graphitic carbon nitride (denoted BP-CN-c). The polarized PN covalent bonds in BP-CN-c can efficiently regulate the electron transfer from BP to graphitic carbon nitride and significantly promote the OOH* adsorption on phosphorus atoms. Impressively, the oxygen evolution reaction performance of BP-CN-c (overpotential of 350 mV at 10 mA cm−2, 90\% retention after 10 h operation) represents the state-of-the-art among the reported BP-based metal-free catalysts. Additionally, BP-CN-c exhibits a small half-wave overpotential of 390 mV for oxygen reduction reaction, representing the first bifunctional BP-based metal-free oxygen catalyst. Moreover, ZABs are assembled incorporating BP-CN-c cathodes, delivering a substantially higher peak power density (168.3 mW cm−2) than the Pt/C+RuO2-based ZABs (101.3 mW cm−2). The acquired insights into interfacial covalent bonds pave the way for the rational design of new and affordable metal-free catalysts.}}, author = {{Wang, Xia and Kormath Madam Raghupathy, Ramya and Querebillo, Christine Joy and Liao, Zhongquan and Li, Dongqi and Lin, Kui and Hantusch, Martin and Sofer, Zdeněk and Li, Baohua and Zschech, Ehrenfried and Weidinger, Inez M. and Kühne, Thomas and Mirhosseini, Hossein and Yu, Minghao and Feng, Xinliang}}, journal = {{Advanced Materials}}, keywords = {{2D materials, bifunctional oxygen electrocatalysts, black phosphorus, oxygen evolution reaction, zinc–air batteries}}, number = {{20}}, pages = {{2008752}}, title = {{{Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions}}}, doi = {{https://doi.org/10.1002/adma.202008752}}, volume = {{33}}, year = {{2021}}, } @article{29700, abstract = {{We have carried out an extensive search for stable polymorphs of carbon nitride with C3N5 stoichiometry using the minima hopping method. Contrary to the widely held opinion that stacked{,} planar{,} graphite-like structures are energetically the most stable carbon nitride polymorphs for various nitrogen contents{,} we find that this does not apply for nitrogen-rich materials owing to the high abundance of N–N bonds. In fact{,} our results disclose novel morphologies with moieties not previously considered for C3N5. We demonstrate that nitrogen-rich compounds crystallize in a large variety of different structures due to particular characteristics of their energy landscapes. The newly found low-energy structures of C3N5 have band gaps within good agreement with the values measured in experimental studies.}}, author = {{Ghasemi, Alireza and Mirhosseini, Hossein and Kühne, Thomas}}, journal = {{Phys. Chem. Chem. Phys.}}, pages = {{6422--6432}}, publisher = {{The Royal Society of Chemistry}}, title = {{{Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study}}}, doi = {{10.1039/D0CP06185A}}, volume = {{23}}, year = {{2021}}, } @article{16294, abstract = {{Model predictive control is a prominent approach to construct a feedback control loop for dynamical systems. Due to real-time constraints, the major challenge in MPC is to solve model-based optimal control problems in a very short amount of time. For linear-quadratic problems, Bemporad et al. have proposed an explicit formulation where the underlying optimization problems are solved a priori in an offline phase. In this article, we present an extension of this concept in two significant ways. We consider nonlinear problems and - more importantly - problems with multiple conflicting objective functions. In the offline phase, we build a library of Pareto optimal solutions from which we then obtain a valid compromise solution in the online phase according to a decision maker's preference. Since the standard multi-parametric programming approach is no longer valid in this situation, we instead use interpolation between different entries of the library. To reduce the number of problems that have to be solved in the offline phase, we exploit symmetries in the dynamical system and the corresponding multiobjective optimal control problem. The results are verified using two different examples from autonomous driving.}}, author = {{Ober-Blöbaum, Sina and Peitz, Sebastian}}, journal = {{International Journal of Robust and Nonlinear Control}}, pages = {{380--403}}, title = {{{Explicit multiobjective model predictive control for nonlinear systems with symmetries}}}, doi = {{10.1002/rnc.5281}}, volume = {{31(2)}}, year = {{2021}}, } @article{29699, author = {{Ghasemi, S. Alireza and Kühne, Thomas D.}}, journal = {{The Journal of Chemical Physics}}, number = {{7}}, pages = {{074107}}, title = {{{Artificial neural networks for the kinetic energy functional of non-interacting fermions}}}, doi = {{10.1063/5.0037319}}, volume = {{154}}, year = {{2021}}, } @inproceedings{25295, author = {{Gurcke, Timon and Alshomary, Milad and Wachsmuth, Henning}}, booktitle = {{Proceedings of the 8th Workshop on Argument Mining}}, pages = {{67 -- 77}}, title = {{{Assessing the Sufficiency of Arguments through Conclusion Generation}}}, year = {{2021}}, } @inproceedings{21198, author = {{Hanselle, Jonas Manuel and Tornede, Alexander and Wever, Marcel Dominik and Hüllermeier, Eyke}}, location = {{Delhi, India}}, title = {{{Algorithm Selection as Superset Learning: Constructing Algorithm Selectors from Imprecise Performance Data}}}, year = {{2021}}, } @phdthesis{21502, abstract = {{Die vollständige Beschreibung fluiddynamischer und akustischer Vorgänge setzt voraus, dass die Eigenschaften des Fluids hinlänglich bekannt sind.Während Fluidkenngrößen, wie etwa die Schallgeschwindigkeit oder die Scherviskosität, für viele Flüssigkeiten über weite Bereiche des thermodynamischen Zustandsraums bekannt sind, existieren für die Volumenviskosität nur eine geringe Anzahl Messdaten.In dieser Arbeit wird daher ein Messverfahren zur selektiven Bestimmung der Volumenviskosität von Flüssigkeiten, basierend auf der Absorption von Ultraschallwellen, entwickelt und realisiert.Schwerpunkte bilden dabei der simulationsgestützte Entwurf von Algorithmen zur Auswertung der Messsignale sowie die Analyse und Weiterentwicklung einer Messanordnung, basierend auf dem Puls-Echo-Verfahren. Neben der Absorption im Fluid treten dabei weitere Effekte (zum Beispiel Beugung oder unvollständige Reflexion) auf, die das akustische Signal schwächen oder anderweitig beeinflussen. Die Entwicklung von Verfahren zur Trennung dieser Effekte von der akustischen Absorption bildet daher einen weiteren Schwerpunkt dieser Arbeit.Abschließend wird die Volumenviskosität aus der gemessenen akustischen Absorption für unterschiedliche Fluide in verschiedenen thermodynamischen Zuständen unter Zuhilfenahme anderer bekannter Fluidkenngrößen bestimmt sowie eine Unsicherheitsbetrachtung durchgeführt.}}, author = {{Claes, Leander}}, pages = {{223}}, publisher = {{Universiät Paderborn}}, title = {{{Messverfahren für die akustische Absorption in reinen Fluiden zur Bestimmung der Volumenviskosität}}}, doi = {{10.17619/UNIPB/1-1104}}, year = {{2021}}, } @inproceedings{29294, author = {{Nickchen, Tobias and Heindorf, Stefan and Engels, Gregor}}, booktitle = {{2021 IEEE Winter Conference on Applications of Computer Vision (WACV)}}, publisher = {{IEEE}}, title = {{{Generating Physically Sound Training Data for Image Recognition of Additively Manufactured Parts}}}, doi = {{10.1109/wacv48630.2021.00204}}, year = {{2021}}, } @inproceedings{24000, author = {{Heitkaemper, Jens and Schmalenstroeer, Joerg and Ion, Valentin and Haeb-Umbach, Reinhold}}, booktitle = {{Speech Communication; 14th ITG-Symposium}}, pages = {{1--5}}, title = {{{A Database for Research on Detection and Enhancement of Speech Transmitted over HF links}}}, year = {{2021}}, } @inproceedings{28259, author = {{Boeddeker, Christoph and Zhang, Wangyou and Nakatani, Tomohiro and Kinoshita, Keisuke and Ochiai, Tsubasa and Delcroix, Marc and Kamo, Naoyuki and Qian, Yanmin and Haeb-Umbach, Reinhold}}, booktitle = {{ICASSP 2021 - 2021 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP)}}, title = {{{Convolutive Transfer Function Invariant SDR Training Criteria for Multi-Channel Reverberant Speech Separation}}}, doi = {{10.1109/icassp39728.2021.9414661}}, year = {{2021}}, }