@article{WallerBraunHojdisetal.2007, author = {Waller, Mark P. and Braun, Heiko and Hojdis, Nils and B{\"u}hl, Michael}, title = {Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory}, series = {Journal of Chemical Theory and Computation}, volume = {3}, journal = {Journal of Chemical Theory and Computation}, number = {6}, issn = {1549-9626}, doi = {10.1021/ct700178y}, pages = {2234 -- 2242}, year = {2007}, language = {en} } @article{SvaneborgKarimiVarzanehHojdisetal.2018, author = {Svaneborg, Carsten and Karimi-Varzaneh, Hossein Ali and Hojdis, Nils and Fleck, Franz and Everaers, Ralf}, title = {Kremer-Grest Models for Universal Properties of Specific Common Polymer Species}, series = {Soft Condensed Matter}, journal = {Soft Condensed Matter}, number = {1606.05008}, year = {2018}, abstract = {The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and M{\"u}ller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli.}, language = {en} } @article{MayerHentschkeHageretal.2017, author = {Mayer, Jan and Hentschke, Reinhard and Hager, Jonathan and Hojdis, Nils and Karimi-Varnaneh, Hossein Ali}, title = {A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance}, series = {Scientific Reports}, volume = {7}, journal = {Scientific Reports}, number = {Article number 11275}, publisher = {Springer}, address = {Berlin}, issn = {2045-2322}, year = {2017}, language = {en} } @article{UlmerBraunChengetal.2022, author = {Ulmer, Jessica and Braun, Sebastian and Cheng, Chi-Tsun and Dowey, Steve and Wollert, J{\"o}rg}, title = {Gamification of virtual reality assembly training: Effects of a combined point and level system on motivation and training results}, series = {International Journal of Human-Computer Studies}, volume = {165}, journal = {International Journal of Human-Computer Studies}, number = {Art. No. 102854}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1071-5819}, doi = {10.1016/j.ijhcs.2022.102854}, year = {2022}, abstract = {Virtual Reality (VR) offers novel possibilities for remote training regardless of the availability of the actual equipment, the presence of specialists, and the training locations. Research shows that training environments that adapt to users' preferences and performance can promote more effective learning. However, the observed results can hardly be traced back to specific adaptive measures but the whole new training approach. This study analyzes the effects of a combined point and leveling VR-based gamification system on assembly training targeting specific training outcomes and users' motivations. The Gamified-VR-Group with 26 subjects received the gamified training, and the Non-Gamified-VR-Group with 27 subjects received the alternative without gamified elements. Both groups conducted their VR training at least three times before assembling the actual structure. The study found that a level system that gradually increases the difficulty and error probability in VR can significantly lower real-world error rates, self-corrections, and support usages. According to our study, a high error occurrence at the highest training level reduced the Gamified-VR-Group's feeling of competence compared to the Non-Gamified-VR-Group, but at the same time also led to lower error probabilities in real-life. It is concluded that a level system with a variable task difficulty should be combined with carefully balanced positive and negative feedback messages. This way, better learning results, and an improved self-evaluation can be achieved while not causing significant impacts on the participants' feeling of competence.}, language = {en} } @article{Dachwald2005, author = {Dachwald, Bernd}, title = {Optimization of very-low-thrust trajectories using evolutionary neurocontrol}, series = {Acta Astronautica}, volume = {57}, journal = {Acta Astronautica}, number = {2-8}, publisher = {Elsevier}, address = {Amsterdam [u.a.]}, isbn = {1879-2030}, pages = {175 -- 185}, year = {2005}, abstract = {Searching optimal interplanetary trajectories for low-thrust spacecraft is usually a difficult and time-consuming task that involves much experience and expert knowledge in astrodynamics and optimal control theory. This is because the convergence behavior of traditional local optimizers, which are based on numerical optimal control methods, depends on an adequate initial guess, which is often hard to find, especially for very-low-thrust trajectories that necessitate many revolutions around the sun. The obtained solutions are typically close to the initial guess that is rarely close to the (unknown) global optimum. Within this paper, trajectory optimization problems are attacked from the perspective of artificial intelligence and machine learning. Inspired by natural archetypes, a smart global method for low-thrust trajectory optimization is proposed that fuses artificial neural networks and evolutionary algorithms into so-called evolutionary neurocontrollers. This novel method runs without an initial guess and does not require the attendance of an expert in astrodynamics and optimal control theory. This paper details how evolutionary neurocontrol works and how it could be implemented. The performance of the method is assessed for three different interplanetary missions with a thrust to mass ratio <0.15mN/kg (solar sail and nuclear electric).}, language = {en} } @article{ValeroBungErpicumetal.2022, author = {Valero, Daniel and Bung, Daniel Bernhard and Erpicum, Sebastien and Peltier, Yann and Dewals, Benjamin}, title = {Unsteady shallow meandering flows in rectangular reservoirs: a modal analysis of URANS modelling}, series = {Journal of Hydro-environment Research}, journal = {Journal of Hydro-environment Research}, number = {In Press}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1570-6443}, doi = {10.1016/j.jher.2022.03.002}, year = {2022}, abstract = {Shallow flows are common in natural and human-made environments. Even for simple rectangular shallow reservoirs, recent laboratory experiments show that the developing flow fields are particularly complex, involving large-scale turbulent structures. For specific combinations of reservoir size and hydraulic conditions, a meandering jet can be observed. While some aspects of this pseudo-2D flow pattern can be reproduced using a 2D numerical model, new 3D simulations, based on the unsteady Reynolds-Averaged Navier-Stokes equations, show consistent advantages as presented herein. A Proper Orthogonal Decomposition was used to characterize the four most energetic modes of the meandering jet at the free surface level, allowing comparison against experimental data and 2D (depth-averaged) numerical results. Three different isotropic eddy viscosity models (RNG k-ε, k-ε, k-ω) were tested. The 3D models accurately predicted the frequency of the modes, whereas the amplitudes of the modes and associated energy were damped for the friction-dominant cases and augmented for non-frictional ones. The performance of the three turbulence models remained essentially similar, with slightly better predictions by RNG k-ε model in the case with the highest Reynolds number. Finally, the Q-criterion was used to identify vortices and study their dynamics, assisting on the identification of the differences between: i) the three-dimensional phenomenon (here reproduced), ii) its two-dimensional footprint in the free surface (experimental observations) and iii) the depth-averaged case (represented by 2D models).}, language = {en} } @article{LoebSchartnerDachwaldetal.2012, author = {Loeb, Horst Wolfgang and Schartner, Karl-Heinz and Dachwald, Bernd and Ohndorf, Andreas and Seboldt, Wolfgang}, title = {Interstellar heliopause probe}, series = {Труды МАИ}, journal = {Труды МАИ}, number = {60}, publisher = {Moskauer Staatliches Luftfahrtinstitut (МАИ)}, address = {Moskau}, pages = {2 -- 2}, year = {2012}, abstract = {There is common agreement within the scientific community that in order to understand our local galactic environment it will be necessary to send a spacecraft into the region beyond the solar wind termination shock. Considering distances of 200 AU for a new mission, one needs a spacecraft traveling at a speed of close to 10 AU/yr in order to keep the mission duration in the range of less than 25 yrs, a transfer time postulated by European Space Agency (ESA). Two propulsion options for the mission have been proposed and discussed so far: the solar sail propulsion and the ballistic/radioisotope-electric propulsion (REP). As a further alternative, we here investigate a combination of solar-electric propulsion (SEP) and REP. The SEP stage consists of six 22-cms diameter RIT-22 ion thrusters working with a high specific impulse of 7377 s corresponding to a positive grid voltage of 5 kV. Solar power of 53 kW at begin of mission (BOM) is provided by a lightweight solar array.}, language = {en} } @article{BhattaraiHorbachStaatetal.2022, author = {Bhattarai, Aroj and Horbach, Andreas and Staat, Manfred and Kowalczyk, Wojciech and Tran, Thanh Ngoc}, title = {Virgin passive colon biomechanics and a literature review of active contraction constitutive models}, series = {Biomechanics}, volume = {2}, journal = {Biomechanics}, number = {2}, publisher = {MDPI}, address = {Basel}, issn = {2673-7078}, doi = {10.3390/biomechanics2020013}, pages = {138 -- 157}, year = {2022}, abstract = {The objective of this paper is to present our findings on the biomechanical aspects of the virgin passive anisotropic hyperelasticity of the porcine colon based on equibiaxial tensile experiments. Firstly, the characterization of the intestine tissues is discussed for a nearly incompressible hyperelastic fiber-reinforced Holzapfel-Gasser-Ogden constitutive model in virgin passive loading conditions. The stability of the evaluated material parameters is checked for the polyconvexity of the adopted strain energy function using positive eigenvalue constraints of the Hessian matrix with MATLAB. The constitutive material description of the intestine with two collagen fibers in the submucosal and muscular layer each has been implemented in the FORTRAN platform of the commercial finite element software LS-DYNA, and two equibiaxial tensile simulations are presented to validate the results with the optical strain images obtained from the experiments. Furthermore, this paper also reviews the existing models of the active smooth muscle cells, but these models have not been computationally studied here. The review part shows that the constitutive models originally developed for the active contraction of skeletal muscle based on Hill's three-element model, Murphy's four-state cross-bridge chemical kinetic model and Huxley's sliding-filament hypothesis, which are mainly used for arteries, are appropriate for numerical contraction numerical analysis of the large intestine.}, language = {en} } @article{TemizArtmannKurulgandemirciFıratetal.2021, author = {Temiz Artmann, Ayseg{\"u}l and Kurulgan demirci, Eylem and F{\i}rat, Ipek Seda and Oflaz, Hakan and Artmann, Gerhard}, title = {Recombinant activated protein C (rhAPC) affects lipopolysaccharide-induced mechanical compliance changes and beat frequency of mESC-derived cardiomyocyte monolayers}, series = {SHOCK}, journal = {SHOCK}, publisher = {Wolters Kluwer}, address = {K{\"o}ln}, issn = {1540-0514}, doi = {10.1097/SHK.0000000000001845}, year = {2021}, language = {en} } @article{HunkerGossmannRamanetal.2021, author = {Hunker, Jan L. and Gossmann, Matthias and Raman, Aravind Hariharan and Linder, Peter}, title = {Artificial neural networks in cardiac safety assessment: Classification of chemotherapeutic compound effects on hiPSC-derived cardiomyocyte contractility}, series = {Journal of Pharmacological and Toxicological Methods}, volume = {111}, journal = {Journal of Pharmacological and Toxicological Methods}, number = {Article number 107044}, publisher = {Elsevier}, address = {New York}, issn = {1056-8719}, doi = {10.1016/j.vascn.2021.107044}, year = {2021}, language = {en} }