@article{41492, abstract = {{The current investigation shows the feasibility of 316L steel powder production via three different argon gas atomisation routes (closed coupled atomisation, free fall atomisation with and without hot gas), along with subsequent sample production by laser powder bed fusion (PBF-LB). Here, a mixture of pure Fe and atomised 316L steel powder is used for PBF-LB to induce a chemical composition gradient in the microstructure. Optical microscopy and μ-CT investigations proved that the samples processed by PBF-LB exhibit very little porosity. Combined EBSD-EDS measurements show the chemical composition gradient leading to the formation of a local fcc-structure. Upon heat treatment (1100 °C, 14 h), the chemical composition is homogeneous throughout the microstructure. A moderate decrease (1060 to 985 MPa) in the sample’s ultimate tensile strength (UTS) is observed after heat treatment. However, the total elongation of the as-built and heat-treated samples remains the same (≈22%). Similarly, a slight decrease in the hardness from 341 to 307 HV1 is observed upon heat treatment.}}, author = {{Pramanik, Sudipta and Andreiev, Anatolii and Hoyer, Kay-Peter and Krüger, Jan Tobias and Hengsbach, Florian and Kircheis, Alexander and Zhao, Weiyu and Fischer-Bühner, Jörg and Schaper, Mirko}}, issn = {{2674-0516}}, journal = {{Powders}}, number = {{1}}, pages = {{59--74}}, publisher = {{MDPI AG}}, title = {{{Powder Production via Atomisation and Subsequent Laser Powder Bed Fusion Processing of Fe+316L Steel Hybrid Alloy}}}, doi = {{10.3390/powders2010005}}, volume = {{2}}, year = {{2023}}, } @article{43441, abstract = {{This paper reveals the 3D character of the intermetallic layer at the aluminum–steel interface which pops up above the original sample surface during annealing. Popping out of the intermetallics was proven using atomic force microscopy. The phase expands out of the plane due to the exothermic formation of the Al5Fe2 phase and the feasibility of surface diffusion. Milling by a focused ion beam enabled the comparison of the chemical composition of the surface layer with the bulk interface, showing no difference. The growth direction is both towards aluminum and steel — the main diffusion flux is from aluminum towards steel, and the new intermetallic phase emerges at the steel side. The shortage of Al atoms causes a shift of the intermetallic as a whole towards aluminum.}}, author = {{Šlapáková, Michaela and Kihoulou, Barbora and Veselý, Jozef and Minárik, Peter and Fekete, Klaudia and Knapek, Michal and Králík, Rostislav and Grydin, Olexandr and Stolbchenko, Mykhailo and Schaper, Mirko}}, issn = {{0042-207X}}, journal = {{Vacuum}}, keywords = {{Al-steel clad, twin-roll casting, 3D characterization, atomic force microscopy, diffusion direction, surface growth}}, publisher = {{Elsevier BV}}, title = {{{3D-structure of intermetallic interface layer in Al–steel clad material}}}, doi = {{10.1016/j.vacuum.2023.112043}}, volume = {{212}}, year = {{2023}}, } @article{44078, author = {{Andreiev, Anatolii and Hoyer, Kay-Peter and Hengsbach, Florian and Haase, Michael and Tasche, Lennart and Duschik, Kristina and Schaper, Mirko}}, issn = {{0924-0136}}, journal = {{Journal of Materials Processing Technology}}, keywords = {{Industrial and Manufacturing Engineering, Metals and Alloys, Computer Science Applications, Modeling and Simulation, Ceramics and Composites}}, publisher = {{Elsevier BV}}, title = {{{Powder bed fusion of soft-magnetic iron-based alloys with high silicon content}}}, doi = {{10.1016/j.jmatprotec.2023.117991}}, volume = {{317}}, year = {{2023}}, } @article{44116, abstract = {{Faradaic reactions including charge transfer are often accompanied with diffusion limitation inside the bulk. Conductive two-dimensional frameworks (2D MOFs) with a fast ion transport can combine both - charge transfer and fast diffusion inside their porous structure. To study remaining diffusion limitations caused by particle morphology, different synthesis routes of Cu-2,3,6,7,10,11-hexahydroxytriphenylene (Cu3(HHTP)2), a copper-based 2D MOF, are used to obtain flake- and rod-like MOF particles. Both morphologies are systematically characterized and evaluated for redox-active Li+ ion storage. The redox mechanism is investigated by means of X-ray absorption spectroscopy, FTIR spectroscopy and in situ XRD. Both types are compared regarding kinetic properties for Li+ ion storage via cyclic voltammetry and impedance spectroscopy. A significant influence of particle morphology for 2D MOFs on kinetic aspects of electrochemical Li+ ion storage can be observed. This study opens the path for optimization of redox active porous structures to overcome diffusion limitations of Faradaic processes.}}, author = {{Wrogemann, Jens Matthies and Lüther, Marco Joes and Bärmann, Peer and Lounasvuori, Mailis and Javed, Ali and Tiemann, Michael and Golnak, Ronny and Xiao, Jie and Petit, Tristan and Placke, Tobias and Winter, Martin}}, issn = {{1433-7851}}, journal = {{Angewandte Chemie International Edition}}, keywords = {{General Chemistry, Catalysis}}, number = {{26}}, pages = {{e202303111}}, publisher = {{Wiley}}, title = {{{Overcoming Diffusion Limitation of Faradaic Processes: Property‐Performance Relationships of 2D Conductive Metal‐Organic Framework Cu3(HHTP)2 for Reversible Lithium‐Ion Storage}}}, doi = {{10.1002/anie.202303111}}, volume = {{62}}, year = {{2023}}, } @article{45663, author = {{Schmolke, Tobias and Brunner-Schwer, Christian and Biegler, Max and Rethmeier, Michael and Meschut, Gerson}}, journal = {{Journal of Manufacturing and Materials Processing}}, number = {{3}}, publisher = {{MDPI}}, title = {{{On Welding of High-Strength Steels Using Laser Beam Welding and Resistance Spot Weld Bonding with Emphasis on Seam Leak Tightness }}}, doi = {{10.3390/jmmp7030116}}, volume = {{7}}, year = {{2023}}, } @article{45757, abstract = {{AbstractThree prominent low order implicit time integration schemes are the first order implicit Euler-method, the second order trapezoidal rule and the second order Ellsiepen method. Its advantages are stability and comparatively low computational cost, however, they require the solution of a nonlinear system of equations. This paper presents a general approach for the construction of third order Runge–Kutta methods by embedding the above mentioned implicit schemes into the class of ELDIRK-methods. These will be defined to have an Explicit Last stage in the general Butcher array of Diagonal Implicit Runge–Kutta (DIRK) methods, with the consequence, that no additional system of equations must be solved. The main results—valid also for non-linear ordinary differential equations—are as follows: Two extra function calculations are required in order to embed the implicit Euler-method and one extra function calculation is required for the trapezoidal-rule and the Ellsiepen method, in order to obtain the third order properties, respectively. Two numerical examples are concerned with a parachute with viscous damping and a two-dimensional laser beam simulation. Here, we verify the higher order convergence behaviours of the proposed new ELDIRK-methods, and its successful performances for asymptotically exact global error estimation of so-called reversed embedded RK-method are shown. }}, author = {{Mahnken, Rolf}}, issn = {{0178-7675}}, journal = {{Computational Mechanics}}, keywords = {{Applied Mathematics, Computational Mathematics, Computational Theory and Mathematics, Mechanical Engineering, Ocean Engineering, Computational Mechanics}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Derivation of third order Runge–Kutta methods (ELDIRK) by embedding of lower order implicit time integration schemes for local and global error estimation}}}, doi = {{10.1007/s00466-023-02347-2}}, year = {{2023}}, } @article{45782, abstract = {{The development of automotive components with reduced greenhouse gas (GHG) emissions is needed to reduce overall vehicle emissions. Life Cycle Engineering (LCE) based on Life Cycle Assessment (LCA) supports this by providing holistic information and improvement potentials regarding eco-efficient products. Key factors influencing LCAs of automotive components, such as material production, will change in the future. First approaches for integrating future scenarios for these key factors into LCE already exist, but they only consider a limited number of parameters and scenarios. This work aims to develop a method that can be practically applied in the industry for integrating prospective LCAs (pLCA) into the LCE of automotive components, considering relevant parameters and consistent scenarios. Therefore, pLCA methods are further developed to investigate the influence of future scenarios on the GHG emissions of automotive components. The practical application is demonstrated for a vehicle component with different design options. This paper shows that different development paths of the foreground and background system can shift the ecological optimum of design alternatives. Therefore, future pathways of relevant parameters must be considered comprehensively to reduce GHG emissions of future vehicles. This work contributes to the methodological and practical integration of pLCA into automotive development processes and provides quantitative results.}}, author = {{Grenz, Julian and Ostermann, Moritz and Käsewieter, Karoline and Cerdas, Felipe and Marten, Thorsten and Herrmann, Christoph and Tröster, Thomas}}, issn = {{2071-1050}}, journal = {{Sustainability}}, keywords = {{prospective LCA, life cycle engineering (LCE), lightweight design, automotive components, body parts, circular economy, steel, aluminum, hybrid materials, fiber metal laminates}}, number = {{13}}, publisher = {{MDPI AG}}, title = {{{Integrating Prospective LCA in the Development of Automotive Components}}}, doi = {{10.3390/su151310041}}, volume = {{15}}, year = {{2023}}, } @article{45868, abstract = {{Perfect vector vortex beams (PVVBs) have attracted considerable interest due to their peculiar optical features. PVVBs are typically generated through the superposition of perfect vortex beams, which suffer from the limited number of topological charges (TCs). Furthermore, dynamic control of PVVBs is desirable and has not been reported. We propose and experimentally demonstrate hybrid grafted perfect vector vortex beams (GPVVBs) and their dynamic control. Hybrid GPVVBs are generated through the superposition of grafted perfect vortex beams with a multifunctional metasurface. The generated hybrid GPVVBs possess spatially variant rates of polarization change due to the involvement of more TCs. Each hybrid GPVVB includes different GPVVBs in the same beam, adding more design flexibility. Moreover, these beams are dynamically controlled with a rotating half waveplate. The generated dynamic GPVVBs may find applications in the fields where dynamic control is in high demand, including optical encryption, dense data communication, and multiple particle manipulation.}}, author = {{Ahmed, Hammad and Ansari, Muhammad Afnan and Li, Yan and Zentgraf, Thomas and Mehmood, Muhammad Qasim and Chen, Xianzhong}}, 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 = {{{Dynamic control of hybrid grafted perfect vector vortex beams}}}, doi = {{10.1038/s41467-023-39599-8}}, volume = {{14}}, year = {{2023}}, } @misc{45674, booktitle = {{Kunst und Politik}}, editor = {{Papenbrock, Martin and Tophinke, Doris}}, publisher = {{V&R unipress}}, title = {{{Politisches Graffiti}}}, volume = {{24}}, year = {{2023}}, } @article{46138, abstract = {{This work reports a fully guided setup for single-mode squeezing on integrated titanium-indiffused periodically poled nonlinear resonators. A continuous-wave laser beam is delivered and the squeezed field is collected by single-mode fibers; up to −3.17(9) dB of useful squeezing is available in fibers. To showcase the usefulness of such a fiber-coupled device, we applied the generated squeezed light in a fiber-based phase sensing experiment, showing a quantum enhancement in the signal-to-noise ratio of 0.35 dB. Moreover, our investigation of the effect of photorefraction on the cavity resonance condition suggests that it causes system instabilities at high powers.}}, author = {{Domeneguetti, Renato and Stefszky, Michael and Herrmann, Harald and Silberhorn, Christine and Andersen, Ulrik L. and Neergaard-Nielsen, Jonas S. and Gehring, Tobias}}, issn = {{0146-9592}}, journal = {{Optics Letters}}, keywords = {{Atomic and Molecular Physics, and Optics}}, number = {{11}}, publisher = {{Optica Publishing Group}}, title = {{{Fully guided and phase locked Ti:PPLN waveguide squeezing for applications in quantum sensing}}}, doi = {{10.1364/ol.486654}}, volume = {{48}}, year = {{2023}}, } @article{46119, author = {{Altenkort, Luis and Eller, Alexander M. and Francis, Anthony and Kaczmarek, Olaf and Mazur, Lukas and Moore, Guy D. and Shu, Hai-Tao}}, issn = {{2470-0010}}, journal = {{Physical Review D}}, number = {{1}}, publisher = {{American Physical Society (APS)}}, title = {{{Viscosity of pure-glue QCD from the lattice}}}, doi = {{10.1103/physrevd.108.014503}}, volume = {{108}}, year = {{2023}}, } @article{38041, abstract = {{While FPGA accelerator boards and their respective high-level design tools are maturing, there is still a lack of multi-FPGA applications, libraries, and not least, benchmarks and reference implementations towards sustained HPC usage of these devices. As in the early days of GPUs in HPC, for workloads that can reasonably be decoupled into loosely coupled working sets, multi-accelerator support can be achieved by using standard communication interfaces like MPI on the host side. However, for performance and productivity, some applications can profit from a tighter coupling of the accelerators. FPGAs offer unique opportunities here when extending the dataflow characteristics to their communication interfaces. In this work, we extend the HPCC FPGA benchmark suite by multi-FPGA support and three missing benchmarks that particularly characterize or stress inter-device communication: b_eff, PTRANS, and LINPACK. With all benchmarks implemented for current boards with Intel and Xilinx FPGAs, we established a baseline for multi-FPGA performance. Additionally, for the communication-centric benchmarks, we explored the potential of direct FPGA-to-FPGA communication with a circuit-switched inter-FPGA network that is currently only available for one of the boards. The evaluation with parallel execution on up to 26 FPGA boards makes use of one of the largest academic FPGA installations.}}, author = {{Meyer, Marius and Kenter, Tobias and Plessl, Christian}}, issn = {{1936-7406}}, journal = {{ACM Transactions on Reconfigurable Technology and Systems}}, keywords = {{General Computer Science}}, publisher = {{Association for Computing Machinery (ACM)}}, title = {{{Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA Networks}}}, doi = {{10.1145/3576200}}, year = {{2023}}, } @inproceedings{43228, abstract = {{The computation of electron repulsion integrals (ERIs) over Gaussian-type orbitals (GTOs) is a challenging problem in quantum-mechanics-based atomistic simulations. In practical simulations, several trillions of ERIs may have to be computed for every time step. In this work, we investigate FPGAs as accelerators for the ERI computation. We use template parameters, here within the Intel oneAPI tool flow, to create customized designs for 256 different ERI quartet classes, based on their orbitals. To maximize data reuse, all intermediates are buffered in FPGA on-chip memory with customized layout. The pre-calculation of intermediates also helps to overcome data dependencies caused by multi-dimensional recurrence relations. The involved loop structures are partially or even fully unrolled for high throughput of FPGA kernels. Furthermore, a lossy compression algorithm utilizing arbitrary bitwidth integers is integrated in the FPGA kernels. To our best knowledge, this is the first work on ERI computation on FPGAs that supports more than just the single most basic quartet class. Also, the integration of ERI computation and compression it a novelty that is not even covered by CPU or GPU libraries so far. Our evaluation shows that using 16-bit integer for the ERI compression, the fastest FPGA kernels exceed the performance of 10 GERIS ($10 \times 10^9$ ERIs per second) on one Intel Stratix 10 GX 2800 FPGA, with maximum absolute errors around $10^{-7}$ - $10^{-5}$ Hartree. The measured throughput can be accurately explained by a performance model. The FPGA kernels deployed on 2 FPGAs outperform similar computations using the widely used libint reference on a two-socket server with 40 Xeon Gold 6148 CPU cores of the same process technology by factors up to 6.0x and on a new two-socket server with 128 EPYC 7713 CPU cores by up to 1.9x.}}, author = {{Wu, Xin and Kenter, Tobias and Schade, Robert and Kühne, Thomas and Plessl, Christian}}, booktitle = {{2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM)}}, pages = {{162--173}}, title = {{{Computing and Compressing Electron Repulsion Integrals on FPGAs}}}, doi = {{10.1109/FCCM57271.2023.00026}}, year = {{2023}}, } @article{45361, abstract = {{ The non-orthogonal local submatrix method applied to electronic structure–based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32-mixed floating-point arithmetic when using 4400 NVIDIA A100 GPUs of the Perlmutter system. This is enabled by a modification of the original method that pushes the sustained fraction of the peak performance to about 80%. Example calculations are performed for SARS-CoV-2 spike proteins with up to 83 million atoms. }}, author = {{Schade, Robert and Kenter, Tobias and Elgabarty, Hossam and Lass, Michael and Kühne, Thomas and Plessl, Christian}}, issn = {{1094-3420}}, journal = {{The International Journal of High Performance Computing Applications}}, keywords = {{Hardware and Architecture, Theoretical Computer Science, Software}}, publisher = {{SAGE Publications}}, title = {{{Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics}}}, doi = {{10.1177/10943420231177631}}, year = {{2023}}, } @inproceedings{45661, abstract = {{Effect chain modelling is a method for creating information models for impact analyses of changes in system elements. For the estimation of change propagation, dependencies between requirements must be detected. The high number of require- ment dependencies in the engineering of complex technical systems results in the need for automation. In a study, it was shown that transformer models (BERT) are suitable for the automated dependency analysis of requirements. However, there are currently deficits in the applicability of the models for different projects without an extensive and heterogeneous training database. This paper investigates how active learning can be used to train BERT models (active-BERT) in order to increase the performance of the models for classifying requi- rement dependencies of projects with heterogeneous require- ments. The results show that the performance of the models increases significantly through active learning. Through active- BERT, engineers are enabled to model effect chains efficiently and to handle requirement changes effectively.}}, author = {{Gräßler, Iris and Preuß, Daniel}}, booktitle = {{Stuttgarter Symposium für Produktentwicklung SSP 2023}}, editor = {{Hölzle, Katharina and Kreimeyer, Matthias and Roth, Daniel and Maier, Thomas and Riedel, Oliver}}, issn = {{2364-4885}}, location = {{Stuttgart}}, publisher = {{Fraunhofer IAO}}, title = {{{Automatisierte Abhängigkeitsanalyse von Anforderungen zur Wirkkettenmodellierung}}}, year = {{2023}}, } @article{29240, abstract = {{The principle of least action is one of the most fundamental physical principle. It says that among all possible motions connecting two points in a phase space, the system will exhibit those motions which extremise an action functional. Many qualitative features of dynamical systems, such as the presence of conservation laws and energy balance equations, are related to the existence of an action functional. Incorporating variational structure into learning algorithms for dynamical systems is, therefore, crucial in order to make sure that the learned model shares important features with the exact physical system. In this paper we show how to incorporate variational principles into trajectory predictions of learned dynamical systems. The novelty of this work is that (1) our technique relies only on discrete position data of observed trajectories. Velocities or conjugate momenta do not need to be observed or approximated and no prior knowledge about the form of the variational principle is assumed. Instead, they are recovered using backward error analysis. (2) Moreover, our technique compensates discretisation errors when trajectories are computed from the learned system. This is important when moderate to large step-sizes are used and high accuracy is required. For this, we introduce and rigorously analyse the concept of inverse modified Lagrangians by developing an inverse version of variational backward error analysis. (3) Finally, we introduce a method to perform system identification from position observations only, based on variational backward error analysis.}}, author = {{Ober-Blöbaum, Sina and Offen, Christian}}, issn = {{0377-0427}}, journal = {{Journal of Computational and Applied Mathematics}}, keywords = {{Lagrangian learning, variational backward error analysis, modified Lagrangian, variational integrators, physics informed learning}}, pages = {{114780}}, publisher = {{Elsevier}}, title = {{{Variational Learning of Euler–Lagrange Dynamics from Data}}}, doi = {{10.1016/j.cam.2022.114780}}, volume = {{421}}, year = {{2023}}, } @article{29236, abstract = {{The numerical solution of an ordinary differential equation can be interpreted as the exact solution of a nearby modified equation. Investigating the behaviour of numerical solutions by analysing the modified equation is known as backward error analysis. If the original and modified equation share structural properties, then the exact and approximate solution share geometric features such as the existence of conserved quantities. Conjugate symplectic methods preserve a modified symplectic form and a modified Hamiltonian when applied to a Hamiltonian system. We show how a blended version of variational and symplectic techniques can be used to compute modified symplectic and Hamiltonian structures. In contrast to other approaches, our backward error analysis method does not rely on an ansatz but computes the structures systematically, provided that a variational formulation of the method is known. The technique is illustrated on the example of symmetric linear multistep methods with matrix coefficients.}}, author = {{McLachlan, Robert and Offen, Christian}}, journal = {{Journal of Geometric Mechanics}}, keywords = {{variational integrators, backward error analysis, Euler--Lagrange equations, multistep methods, conjugate symplectic methods}}, number = {{1}}, pages = {{98--115}}, publisher = {{AIMS Press}}, title = {{{Backward error analysis for conjugate symplectic methods}}}, doi = {{10.3934/jgm.2023005}}, volume = {{15}}, year = {{2023}}, } @inproceedings{46502, author = {{Gräßler, Iris and Wiechel, Dominik}}, booktitle = {{2023 18th Annual System of Systems Engineering Conference (SoSe)}}, location = {{Lille}}, publisher = {{IEEE}}, title = {{{Customized impact analyses for technical engineering changes}}}, doi = {{10.1109/sose59841.2023.10178484}}, year = {{2023}}, } @article{46503, abstract = {{ Purpose The purpose of this study is to investigate the manufacturability of Fe-3Si lattice structures and the resulting mechanical properties. This study could lead to the successful processing of squirrel cage conductors (a lattice structure by design) of an induction motor by additive manufacturing in the future. Design/methodology/approach The compression behaviour of two lattice structures where struts are arranged in a face-centred cubic position and vertical edges (FCCZ), and struts are placed at body-centred cubic (BCC) positions, prepared by laser powder bed fusion (LPBF), is explored. The experimental investigations are supported by finite element method (FEM) simulations. Findings The FCCZ lattice structure presents a peak in the stress-strain curve, whereas the BCC lattice structure manifests a plateau. The vertical struts aligned along the compression direction lead to a significant increase in the load-carrying ability of FCCZ lattice structures compared to BCC lattice structures. This results in a peak in the stress-strain curve. However, the BCC lattice structure presents the bending of struts with diagonal struts carrying the major loads with struts near the faceplate receiving the least load. A high concentration of geometrically necessary dislocations (GNDs) near the grain boundaries along cell formation is observed in the microstructure. Originality/value To the best of the authors’ knowledge, this is the first study on additive manufacturing of Fe-3Si lattice structures. Currently, there are no investigations in the literature on the manufacturability and mechanical properties of Fe-3Si lattice structures. }}, author = {{Pramanik, Sudipta and Hoyer, Kay-Peter and Schaper, Mirko}}, issn = {{1355-2546}}, journal = {{Rapid Prototyping Journal}}, keywords = {{Industrial and Manufacturing Engineering, Mechanical Engineering}}, number = {{6}}, pages = {{1257--1269}}, publisher = {{Emerald}}, title = {{{Experimental and finite element method investigation on the compression behaviour of FCCZ and BCC lattice structures of additively manufactured Fe-3Si samples}}}, doi = {{10.1108/rpj-06-2022-0190}}, volume = {{29}}, year = {{2023}}, } @article{46507, author = {{Pramanik, Sudipta and Milaege, Dennis and Hein, Maxwell and Andreiev, Anatolii and Schaper, Mirko and Hoyer, Kay-Peter}}, issn = {{1438-1656}}, journal = {{Advanced Engineering Materials}}, keywords = {{Condensed Matter Physics, General Materials Science}}, number = {{14}}, publisher = {{Wiley}}, title = {{{An Experimental and Computational Modeling Study on Additively Manufactured Micro‐Architectured Ti–24Nb–4Zr–8Sn Hollow‐Strut Lattice Structures}}}, doi = {{10.1002/adem.202201850}}, volume = {{25}}, year = {{2023}}, }