@inproceedings{26539, abstract = {{In control design most control strategies are model-based and require accurate models to be applied successfully. Due to simplifications and the model-reality-gap physics-derived models frequently exhibit deviations from real-world-systems. Likewise, purely data-driven methods often do not generalise well enough and may violate physical laws. Recently Physics-Guided Neural Networks (PGNN) and physics-inspired loss functions separately have shown promising results to conquer these drawbacks. In this contribution we extend existing methods towards the identification of non-autonomous systems and propose a combined approach PGNN-L, which uses a PGNN and a physics-inspired loss term (-L) to successfully identify the system's dynamics, while maintaining the consistency with physical laws. The proposed method is demonstrated on two real-world nonlinear systems and outperforms existing techniques regarding complexity and reliability.}}, author = {{Götte, Ricarda-Samantha and Timmermann, Julia}}, booktitle = {{2022 3rd International Conference on Artificial Intelligence, Robotics and Control (AIRC)}}, keywords = {{data-driven, physics-based, physics-informed, neural networks, system identification, hybrid modelling}}, location = {{Cairo, Egypt}}, pages = {{67--76}}, title = {{{Composed Physics- and Data-driven System Identification for Non-autonomous Systems in Control Engineering}}}, doi = {{10.1109/AIRC56195.2022.9836982}}, year = {{2022}}, } @inproceedings{31066, abstract = {{While trade-offs between modeling effort and model accuracy remain a major concern with system identification, resorting to data-driven methods often leads to a complete disregard for physical plausibility. To address this issue, we propose a physics-guided hybrid approach for modeling non-autonomous systems under control. Starting from a traditional physics-based model, this is extended by a recurrent neural network and trained using a sophisticated multi-objective strategy yielding physically plausible models. While purely data-driven methods fail to produce satisfying results, experiments conducted on real data reveal substantial accuracy improvements by our approach compared to a physics-based model. }}, author = {{Schön, Oliver and Götte, Ricarda-Samantha and Timmermann, Julia}}, booktitle = {{14th IFAC Workshop on Adaptive and Learning Control Systems (ALCOS 2022)}}, keywords = {{neural networks, physics-guided, data-driven, multi-objective optimization, system identification, machine learning, dynamical systems}}, location = {{Casablanca, Morocco}}, number = {{12}}, pages = {{19--24}}, title = {{{Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems}}}, doi = {{https://doi.org/10.1016/j.ifacol.2022.07.282}}, volume = {{55}}, year = {{2022}}, } @article{32088, abstract = {{Subwavelength dielectric resonators assembled into metasurfaces have become a versatile tool for miniaturizing optical components approaching the nanoscale. An important class of metasurface functionalities is associated with asymmetry in both the generation and transmission of light with respect to reversals of the positions of emitters and receivers. The nonlinear light–matter interaction in metasurfaces offers a promising pathway towards miniaturization of the asymmetric control of light. Here we demonstrate asymmetric parametric generation of light in nonlinear metasurfaces. We assemble dissimilar nonlinear dielectric resonators into translucent metasurfaces that produce images in the visible spectral range on being illuminated by infrared radiation. By design, the metasurfaces produce different and completely independent images for the reversed direction of illumination, that is, when the positions of the infrared emitter and the visible light receiver are exchanged. Nonlinearity-enabled asymmetric control of light by subwavelength resonators paves the way towards novel nanophotonic components via dense integration of large quantities of nonlinear resonators into compact metasurface designs.}}, author = {{Kruk, Sergey S. and Wang, Lei and Sain, Basudeb and Dong, Zhaogang and Yang, Joel and Zentgraf, Thomas and Kivshar, Yuri}}, issn = {{1749-4885}}, journal = {{Nature Photonics}}, keywords = {{Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials}}, pages = {{561–565}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Asymmetric parametric generation of images with nonlinear dielectric metasurfaces}}}, doi = {{10.1038/s41566-022-01018-7}}, volume = {{16}}, year = {{2022}}, } @article{34094, author = {{Gao, Ying and Li, Yao and Ma, Xuekai and Gao, Meini and Dai, Haitao and Schumacher, Stefan and Gao, Tingge}}, issn = {{0003-6951}}, journal = {{Applied Physics Letters}}, keywords = {{Physics and Astronomy (miscellaneous)}}, number = {{20}}, publisher = {{AIP Publishing}}, title = {{{Tilting nondispersive bands in an empty microcavity}}}, doi = {{10.1063/5.0093908}}, volume = {{121}}, year = {{2022}}, } @article{37713, author = {{Murzakhanov, Fadis F. and Mamin, Georgy Vladimirovich and Orlinskii, Sergei Borisovich and Gerstmann, Uwe and Schmidt, Wolf Gero and Biktagirov, Timur and Aharonovich, Igor and Gottscholl, Andreas and Sperlich, Andreas and Dyakonov, Vladimir and Soltamov, Victor A.}}, issn = {{1530-6984}}, journal = {{Nano Letters}}, keywords = {{Mechanical Engineering, Condensed Matter Physics, General Materials Science, General Chemistry, Bioengineering}}, number = {{7}}, pages = {{2718--2724}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Electron–Nuclear Coherent Coupling and Nuclear Spin Readout through Optically Polarized VB– Spin States in hBN}}}, doi = {{10.1021/acs.nanolett.1c04610}}, volume = {{22}}, year = {{2022}}, } @article{33080, author = {{Long, Teng and Ma, Xuekai and Ren, Jiahuan and Li, Feng and Liao, Qing and Schumacher, Stefan and Malpuech, Guillaume and Solnyshkov, Dmitry and Fu, Hongbing}}, issn = {{2198-3844}}, journal = {{Advanced Science}}, keywords = {{General Physics and Astronomy, General Engineering, Biochemistry, Genetics and Molecular Biology (miscellaneous), General Materials Science, General Chemical Engineering, Medicine (miscellaneous)}}, number = {{29}}, publisher = {{Wiley}}, title = {{{Helical Polariton Lasing from Topological Valleys in an Organic Crystalline Microcavity}}}, doi = {{10.1002/advs.202203588}}, volume = {{9}}, year = {{2022}}, } @article{32310, author = {{Li, Yao and Ma, Xuekai and Zhai, Xiaokun and Gao, Meini and Dai, Haitao and Schumacher, Stefan and Gao, Tingge}}, issn = {{2041-1723}}, journal = {{Nature Communications}}, keywords = {{General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry, Multidisciplinary}}, number = {{1}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Manipulating polariton condensates by Rashba-Dresselhaus coupling at room temperature}}}, doi = {{10.1038/s41467-022-31529-4}}, volume = {{13}}, year = {{2022}}, } @article{32148, author = {{Gao, Xinghui and Hu, Wei and Schumacher, Stefan and Ma, Xuekai}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, keywords = {{Atomic and Molecular Physics, and Optics}}, number = {{13}}, pages = {{3235--3238}}, publisher = {{Optica Publishing Group}}, title = {{{Unidirectional vortex waveguides and multistable vortex pairs in polariton condensates}}}, doi = {{10.1364/ol.457724}}, volume = {{47}}, year = {{2022}}, } @article{40371, abstract = {{Multimode integrated interferometers have great potential for both spectral engineering and metrological applications. However, the material dispersion of integrated platforms constitutes an obstacle that limits the performance and precision of such interferometers. At the same time, two-colour nonlinear interferometers present an important tool for metrological applications, when measurements in a certain frequency range are difficult. In this manuscript, we theoretically developed and investigated an integrated multimode two-colour SU(1,1) interferometer operating in a supersensitive mode. By ensuring the proper design of the integrated platform, we suppressed the dispersion, thereby significantly increasing the visibility of the interference pattern. The use of a continuous wave pump laser provided the symmetry between the spectral shapes of the signal and idler photons concerning half the pump frequency, despite different photon colours. We demonstrate that such an interferometer overcomes the classical phase sensitivity limit for wide parametric gain ranges, when up to 3×104 photons are generated.}}, author = {{Ferreri, Alessandro and Sharapova, Polina R.}}, issn = {{2073-8994}}, journal = {{Symmetry}}, keywords = {{Physics and Astronomy (miscellaneous), General Mathematics, Chemistry (miscellaneous), Computer Science (miscellaneous)}}, number = {{3}}, publisher = {{MDPI AG}}, title = {{{Two-Colour Spectrally Multimode Integrated SU(1,1) Interferometer}}}, doi = {{10.3390/sym14030552}}, volume = {{14}}, year = {{2022}}, } @article{53082, author = {{Zinsmeister, Julia and Gaiser, Nina and Melder, Jens and Bierkandt, Thomas and Hemberger, Patrick and Kasper, Tina and Aigner, Manfred and Köhler, Markus and Oßwald, Patrick}}, issn = {{0010-2180}}, journal = {{Combustion and Flame}}, keywords = {{General Physics and Astronomy, Energy Engineering and Power Technology, Fuel Technology, General Chemical Engineering, General Chemistry}}, publisher = {{Elsevier BV}}, title = {{{On the diversity of fossil and alternative gasoline combustion chemistry: A comparative flow reactor study}}}, doi = {{10.1016/j.combustflame.2021.111961}}, volume = {{243}}, year = {{2022}}, } @article{36332, abstract = {{AlSi casting alloys combine excellent castability with high strength. Hence, this group of alloys is often used in the automotive sector. The challenge for this application is the brittle character of these alloys which leads to cracks during joint formation when mechanical joining technologies are used. A rise in ductility can be achieved by a considerable increase in the solidification rate which results in grain refinement. High solidification rates can be realized in twin–roll casting (TRC) by water-cooled rolls. Therefore, a hypoeutectic EN AC–AlSi9 (for European Norm - aluminum cast product) is manufactured by the TRC process and analyzed. Subsequently, joining investigations are performed on castings in as-cast and heat-treated condition using the self-piercing riveting process considering the joint formation and the load-bearing capacity. Due to the fine microstructure, the crack initiation can be avoided during joining, while maintaining the joining parameters, especially by specimens in heat treatment conditions. Furthermore, due to the extremely fine microstructure, the load-bearing capacity of the joint can be significantly increased in terms of the maximum load-bearing force and the energy absorbed.}}, author = {{Neuser, Moritz and Kappe, Fabian and Ostermeier, Jakob and Krüger, Jan Tobias and Bobbert, Mathias and Meschut, Gerson and Schaper, Mirko and Grydin, Olexandr}}, issn = {{1438-1656}}, journal = {{Advanced Engineering Materials}}, keywords = {{Condensed Matter Physics, General Materials Science}}, number = {{10}}, publisher = {{Wiley}}, title = {{{Mechanical Properties and Joinability of AlSi9 Alloy Manufactured by Twin‐Roll Casting}}}, doi = {{10.1002/adem.202200874}}, volume = {{24}}, year = {{2022}}, } @article{29168, abstract = {{AbstractThe homogeneous density of the liquid phase is experimentally investigated for methyl diethanolamine. Data are obtained along five isotherms in a temperature range between 300 K and 360 K for pressures up to 95 MPa. Two different apparatuses are used to measure the speed of sound for the temperatures between 322 K and 450 K with a maximum pressure of 95 MPa. These measurements and literature data are used to develop a fundamental equation of state for methyl diethanolamine. The model is formulated in terms of the Helmholtz energy and allows for the calculation of all thermodynamic properties in gaseous, liquid, supercritical, and saturation states. The experimental data are represented within their uncertainties. The physical and extrapolation behavior is validated qualitatively to ensure reasonable calculations outside of the range of validity. Based on the experimental datasets, the equation of state is valid for temperatures from 250 K to 750 K and pressures up to 100 MPa.}}, author = {{Neumann, Tobias and Baumhögger, Elmar and Span, Roland and Vrabec, Jadran and Thol, Monika}}, issn = {{0195-928X}}, journal = {{International Journal of Thermophysics}}, keywords = {{Condensed Matter Physics}}, number = {{1}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Thermodynamic Properties of Methyl Diethanolamine}}}, doi = {{10.1007/s10765-021-02933-7}}, volume = {{43}}, year = {{2021}}, } @article{30208, abstract = {{

In this work the solubility of 15 amino acids and 18 peptides in aqueous 2-propanol solutions was successfully modelled using PC-SAFT that used recently determined experimental melting properties as input data.

}}, author = {{Do, Hoang Tam and Franke, Patrick and Volpert, Sophia and Klinksiek, Marcel and Thome, Max and Held, Christoph}}, issn = {{1463-9076}}, journal = {{Physical Chemistry Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{18}}, pages = {{10852--10863}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Measurement and modelling solubility of amino acids and peptides in aqueous 2-propanol solutions}}}, doi = {{10.1039/d1cp00005e}}, volume = {{23}}, 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}}, } @article{34647, author = {{Brögelmann, T and Bobzin, K and Grundmeier, Guido and de los Arcos, T and Kruppe, N C and Schwiderek, S and Carlet, M}}, issn = {{0022-3727}}, journal = {{Journal of Physics D: Applied Physics}}, keywords = {{Surfaces, Coatings and Films, Acoustics and Ultrasonics, Condensed Matter Physics, Electronic, Optical and Magnetic Materials}}, number = {{3}}, publisher = {{IOP Publishing}}, title = {{{Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions}}}, doi = {{10.1088/1361-6463/ac2e31}}, volume = {{55}}, year = {{2021}}, } @article{34645, author = {{Tripathi, Tripurari Sharan and Wilken, Martin and Hoppe, Christian and de los Arcos, Teresa and Grundmeier, Guido and Devi, Anjana and Karppinen, Maarit}}, issn = {{1438-1656}}, journal = {{Advanced Engineering Materials}}, keywords = {{Condensed Matter Physics, General Materials Science}}, number = {{10}}, publisher = {{Wiley}}, title = {{{Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant}}}, doi = {{10.1002/adem.202100446}}, volume = {{23}}, year = {{2021}}, } @article{33587, abstract = {{Abstract We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.}}, author = {{Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}}, issn = {{2515-7639}}, journal = {{Journal of Physics: Materials}}, keywords = {{Condensed Matter Physics, General Materials Science, Atomic and Molecular Physics, and Optics}}, number = {{1}}, publisher = {{IOP Publishing}}, title = {{{On topological materials as photocatalysts for water splitting by visible light}}}, doi = {{10.1088/2515-7639/ac363d}}, volume = {{5}}, year = {{2021}}, } @article{33648, author = {{Ghasemi, Alireza and Kühne, Thomas}}, issn = {{0021-9606}}, journal = {{The Journal of Chemical Physics}}, keywords = {{Physical and Theoretical Chemistry, General Physics and Astronomy}}, number = {{7}}, publisher = {{AIP Publishing}}, title = {{{Artificial neural networks for the kinetic energy functional of non-interacting fermions}}}, doi = {{10.1063/5.0037319}}, volume = {{154}}, year = {{2021}}, } @article{33657, author = {{Mirhosseini, Hossein and Tahmasbi, Hossein and Kuchana, Sai Ram and Ghasemi, Alireza and Kühne, Thomas}}, issn = {{0927-0256}}, journal = {{Computational Materials Science}}, keywords = {{Computational Mathematics, General Physics and Astronomy, Mechanics of Materials, General Materials Science, General Chemistry, General Computer Science}}, publisher = {{Elsevier BV}}, title = {{{An automated approach for developing neural network interatomic potentials with FLAME}}}, doi = {{10.1016/j.commatsci.2021.110567}}, volume = {{197}}, year = {{2021}}, } @article{33659, abstract = {{Abstract We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.}}, author = {{Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas}}, issn = {{2515-7639}}, journal = {{Journal of Physics: Materials}}, keywords = {{Condensed Matter Physics, General Materials Science, Atomic and Molecular Physics, and Optics}}, number = {{1}}, publisher = {{IOP Publishing}}, title = {{{On topological materials as photocatalysts for water splitting by visible light}}}, doi = {{10.1088/2515-7639/ac363d}}, volume = {{5}}, year = {{2021}}, }