@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{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}}, } @article{25046, abstract = {{While increasing digitalization enables multiple advantages for a reliable operation of technical systems, a remaining challenge in the context of condition monitoring is seen in suitable consideration of uncertainties affecting the monitored system. Therefore, a suitable prognostic approach to predict the remaining useful lifetime of complex technical systems is required. To handle different kinds of uncertainties, a novel Multi-Model-Particle Filtering-based prognostic approach is developed and evaluated by the use case of rubber-metal-elements. These elements are maintained preventively due to the strong influence of uncertainties on their behavior. In this paper, two measurement quantities are compared concerning their ability to establish a prediction of the remaining useful lifetime of the monitored elements and the influence of present uncertainties. Based on three performance indices, the results are evaluated. A comparison with predictions of a classical Particle Filter underlines the superiority of the developed Multi-Model-Particle Filter. Finally, the value of the developed method for enabling condition monitoring of technical systems related to uncertainties is given exemplary by a comparison between the preventive and the predictive maintenance strategy for the use case.}}, author = {{Bender, Amelie}}, issn = {{2075-1702}}, journal = {{Machines}}, keywords = {{prognostics, RUL predictions, particle filter, uncertainty consideration, Multi-Model-Particle Filter, model-based approach, rubber-metal-elements, predictive maintenance}}, number = {{10}}, title = {{{A Multi-Model-Particle Filtering-Based Prognostic Approach to Consider Uncertainties in RUL Predictions}}}, doi = {{10.3390/machines9100210}}, volume = {{9}}, year = {{2021}}, } @article{35202, abstract = {{Purpose: This study aims at investigating how digitalisation (in the sense of industry 4.0) has changed the work of farmers and how they experience the changes from more traditional work to digitalised agriculture. It also investigates what knowledge farmers require on digitalised farms and how they acquire it. Dairy farming was used as domain of investigation since it, unlike other industries, has strongly been affected by digitalisation throughout the last years. Method: Exploratory interviews with 10 livestock farmers working on digitalised dairy farms were analysed using qualitative content analysis. A deductive and inductive coding strategy was used. Findings: Farming work has changed from more manual tasks towards symbol manipulation and data processing. Farmers must be able to use computers and other digital devices to retrieve and analyse sensor data that allow them to monitor and control the processes on their farm. For this new kind of work, farmers require elaborated mental models that link traditional farming knowledge with knowledge about digital systems, including a strong understanding of production processes underlying their farm. Learning is mostly based on instructions offered by manufacturers of the new technology as well as informal and non-formal learning modes. Even younger farmers report that digital technology was not sufficiently covered in their (vocational) degrees. In general, farmers emphasises the positive effects of digitalisation both on their working as well as private life. Conclusions: Farmers should be aware of the opportunities as well as the potential drawbacks of the digitalisation of work processes in agriculture. Providers of agricultural education (like vocational schools or training institutes) need to incorporate the knowledge and skills required to work in digitalised environments (e.g., data literacy) in their syllabi. Further studies are required to assess how digitalisation changes farming practices and what knowledge as well as skills linked to these developments are required in the future.}}, author = {{Goller, Michael and Caruso, Carina and Harteis, Christian}}, issn = {{2197-8646}}, journal = {{International Journal for Research in Vocational Education and Training}}, keywords = {{Work-Based Learning, Organisational Change, Digital Competences, Qualitative Research, Digitalisation, Farming, Dairy, VET, Vocational Education and Training}}, number = {{2}}, pages = {{208–223}}, title = {{{Digitalisation in Agriculture: Knowledge and Learning Requirements of German Dairy Farmers}}}, doi = {{10.13152/IJRVET.8.2.4.}}, volume = {{8}}, year = {{2021}}, } @article{35327, author = {{Wortmann, Martin and Viertel, Klaus and Welle, Alexander and Keil, Waldemar and Frese, Natalie and Hachmann, Wiebke and Krieger, Philipp and Brikmann, Johannes and Schmidt, Claudia and Moritzer, Elmar and Hüsgen, Bruno}}, issn = {{0017-9310}}, journal = {{International Journal of Heat and Mass Transfer}}, keywords = {{Fluid Flow and Transfer Processes, Mechanical Engineering, Condensed Matter Physics}}, publisher = {{Elsevier BV}}, title = {{{Anomalous bulk diffusion of methylene diphenyl diisocyanate in silicone elastomer}}}, doi = {{10.1016/j.ijheatmasstransfer.2021.121536}}, volume = {{177}}, year = {{2021}}, } @article{47963, abstract = {{Nonlinear and quantum optical devices based on periodically-poled thin film lithium niobate (PP-TFLN) have gained considerable interest lately, due to their significantly improved performance as compared to their bulk counterparts. Nevertheless, performance parameters such as conversion efficiency, minimum pump power, and spectral bandwidth strongly depend on the quality of the domain structure in these PP-TFLN samples, e.g., their homogeneity and duty cycle, as well as on the overlap and penetration depth of domains with the waveguide mode. Hence, in order to propose improved fabrication protocols, a profound quality control of domain structures is needed that allows quantifying and thoroughly analyzing these parameters. In this paper, we propose to combine a set of nanometer-to-micrometer-scale imaging techniques, i.e., piezoresponse force microscopy (PFM), second-harmonic generation (SHG), and Raman spectroscopy (RS), to access the relevant and crucial sample properties through cross-correlating these methods. Based on our findings, we designate SHG to be the best-suited standard imaging technique for this purpose, in particular when investigating the domain poling process in x-cut TFLNs. While PFM is excellently recommended for near-surface high-resolution imaging, RS provides thorough insights into stress and/or defect distributions, as associated with these domain structures. In this context, our work here indicates unexpectedly large signs for internal fields occurring in x-cut PP-TFLNs that are substantially larger as compared to previous observations in bulk LN.}}, author = {{Reitzig, Sven and Rüsing, Michael and Zhao, Jie and Kirbus, Benjamin and Mookherjea, Shayan and Eng, Lukas M.}}, issn = {{2073-4352}}, journal = {{Crystals}}, keywords = {{Inorganic Chemistry, Condensed Matter Physics, General Materials Science, General Chemical Engineering}}, number = {{3}}, publisher = {{MDPI AG}}, title = {{{“Seeing Is Believing”—In-Depth Analysis by Co-Imaging of Periodically-Poled X-Cut Lithium Niobate Thin Films}}}, doi = {{10.3390/cryst11030288}}, volume = {{11}}, year = {{2021}}, } @article{47964, abstract = {{In the last two decades, variably doped strontium barium niobate (SBN) has attracted a lot of scientific interest mainly due to its specific non-linear optical response. Comparably, the parental compound, i.e., undoped SBN, appears to be less studied so far. Here, two different cuts of single-crystalline nominally pure strontium barium niobate in the composition Sr0.61Ba0.39Nb2O6 (SBN61) are comprehensively studied and analyzed with regard to their photoconductive responses. We present conductance measurements under systematically varied illumination conditions along either the polar z-axis or perpendicular to it (x-cut). Apart from a pronounced photoconductance (PC) already under daylight and a large effect upon super-bandgap illumination in general, we observe (i) distinct spectral features when sweeping the excitation wavelength over the sub-bandgap region as then discussed in the context of deep and shallow trap states, (ii) extremely slow long-term relaxation for both light-on and light-off transients in the range of hours and days, (iii) a critical dependence of the photoresponse on the pre-illumination history of the sample, and (iv) a current–voltage hysteresis depending on both the illumination and the electrical-measurement conditions in a complex manner.}}, author = {{Beyreuther, Elke and Ratzenberger, Julius and Roeper, Matthias and Kirbus, Benjamin and Rüsing, Michael and Ivleva, Liudmila I. and Eng, Lukas M.}}, issn = {{2073-4352}}, journal = {{Crystals}}, keywords = {{Inorganic Chemistry, Condensed Matter Physics, General Materials Science, General Chemical Engineering}}, number = {{7}}, publisher = {{MDPI AG}}, title = {{{Photoconduction of Polar and Nonpolar Cuts of Undoped Sr0.61Ba0.39Nb2O6 Single Crystals}}}, doi = {{10.3390/cryst11070780}}, volume = {{11}}, year = {{2021}}, } @article{47973, abstract = {{Thin-film lithium niobate (TFLN) in the form of x- or z-cut lithium-niobate-on-insulator has attracted considerable interest as a very promising and novel platform for developing integrated optoelectronic (nano)devices and exploring fundamental research. Here, we investigate the coherent interaction length lc of optical second-harmonic generation (SHG) microscopy in such samples, that are purposely prepared into a wedge shape, in order to elegantly tune the geometrical confinement from bulk thicknesses down to approximately 50 nm. SHG microscopy is a very powerful and non-invasive tool for the investigation of structural properties in the biological and solid-state sciences, especially for visualizing and analyzing ferroelectric domains and domain walls. However, unlike in bulk lithium niobate (LN), SHG microscopy in TFLN is impacted by interfacial reflections and resonant enhancement, both of which rely on film thickness and substrate material. In this paper, we show that the dominant SHG contribution measured on TFLN in backreflection is the co-propagating phase-matched SHG signal and not the counter-propagating SHG portion as is the case for bulk LN samples. Moreover, lc depends on the incident pump laser wavelength (sample dispersion) but also on the numerical aperture of the focussing objective in use. These experimental findings on x- and z-cut TFLN are excellently backed up by our advanced numerical simulations.}}, author = {{Amber, Zeeshan H. and Kirbus, Benjamin and Eng, Lukas M. and Rüsing, Michael}}, issn = {{0021-8979}}, journal = {{Journal of Applied Physics}}, keywords = {{General Physics and Astronomy}}, number = {{13}}, pages = {{133102}}, publisher = {{AIP Publishing}}, title = {{{Quantifying the coherent interaction length of second-harmonic microscopy in lithium niobate confined nanostructures}}}, doi = {{10.1063/5.0058996}}, volume = {{130}}, year = {{2021}}, }