TY - JOUR A1 - Waller, Mark P. A1 - Braun, Heiko A1 - Hojdis, Nils A1 - Bühl, Michael T1 - Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory JF - Journal of Chemical Theory and Computation Y1 - 2007 U6 - https://doi.org/10.1021/ct700178y SN - 1549-9626 VL - 3 IS - 6 SP - 2234 EP - 2242 ER - TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Kremer-Grest Models for Universal Properties of Specific Common Polymer Species JF - Soft Condensed Matter N2 - 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 Müller-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. Y1 - 2018 IS - 1606.05008 ER - TY - JOUR A1 - Mayer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varnaneh, Hossein Ali T1 - A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance JF - Scientific Reports Y1 - 2017 SN - 2045-2322 VL - 7 IS - Article number 11275 PB - Springer CY - Berlin ER - TY - JOUR A1 - Ulmer, Jessica A1 - Braun, Sebastian A1 - Cheng, Chi-Tsun A1 - Dowey, Steve A1 - Wollert, Jörg T1 - Gamification of virtual reality assembly training: Effects of a combined point and level system on motivation and training results JF - International Journal of Human-Computer Studies N2 - 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. KW - Gamification KW - Virtual reality KW - Assembly KW - User study KW - Level system Y1 - 2022 U6 - https://doi.org/10.1016/j.ijhcs.2022.102854 SN - 1071-5819 VL - 165 IS - Art. No. 102854 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Dachwald, Bernd T1 - Optimization of very-low-thrust trajectories using evolutionary neurocontrol JF - Acta Astronautica N2 - 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). Y1 - 2005 SN - 1879-2030 VL - 57 IS - 2-8 SP - 175 EP - 185 PB - Elsevier CY - Amsterdam [u.a.] ER - TY - JOUR A1 - Valero, Daniel A1 - Bung, Daniel Bernhard A1 - Erpicum, Sebastien A1 - Peltier, Yann A1 - Dewals, Benjamin T1 - Unsteady shallow meandering flows in rectangular reservoirs: a modal analysis of URANS modelling JF - Journal of Hydro-environment Research N2 - 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). KW - coherent structures KW - hydraulic modelling KW - model performance KW - Proper Orthogonal Decomposition KW - Q-criterion Y1 - 2022 U6 - https://doi.org/10.1016/j.jher.2022.03.002 SN - 1570-6443 IS - In Press PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Loeb, Horst Wolfgang A1 - Schartner, Karl-Heinz A1 - Dachwald, Bernd A1 - Ohndorf, Andreas A1 - Seboldt, Wolfgang T1 - Interstellar heliopause probe JF - Труды МАИ N2 - 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. Y1 - 2012 IS - 60 SP - 2 EP - 2 PB - Moskauer Staatliches Luftfahrtinstitut (МАИ) CY - Moskau ER - TY - JOUR A1 - Bhattarai, Aroj A1 - Horbach, Andreas A1 - Staat, Manfred A1 - Kowalczyk, Wojciech A1 - Tran, Thanh Ngoc T1 - Virgin passive colon biomechanics and a literature review of active contraction constitutive models JF - Biomechanics N2 - 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. KW - virgin passive KW - strain energy function KW - smooth muscle contraction KW - viscoelasticity KW - damage Y1 - 2022 U6 - https://doi.org/10.3390/biomechanics2020013 SN - 2673-7078 VL - 2 IS - 2 SP - 138 EP - 157 PB - MDPI CY - Basel ER - TY - JOUR A1 - Temiz Artmann, Aysegül A1 - Kurulgan demirci, Eylem A1 - Fırat, Ipek Seda A1 - Oflaz, Hakan A1 - Artmann, Gerhard T1 - Recombinant activated protein C (rhAPC) affects lipopolysaccharide-induced mechanical compliance changes and beat frequency of mESC-derived cardiomyocyte monolayers JF - SHOCK KW - Septic cardiomyopathy KW - LPS KW - cardiomyocyte biomechanics KW - CellDrum KW - actin cytoskeleton Y1 - 2021 U6 - https://doi.org/10.1097/SHK.0000000000001845 SN - 1540-0514 PB - Wolters Kluwer CY - Köln ER - TY - JOUR A1 - Hunker, Jan L. A1 - Gossmann, Matthias A1 - Raman, Aravind Hariharan A1 - Linder, Peter T1 - Artificial neural networks in cardiac safety assessment: Classification of chemotherapeutic compound effects on hiPSC-derived cardiomyocyte contractility JF - Journal of Pharmacological and Toxicological Methods Y1 - 2021 U6 - https://doi.org/10.1016/j.vascn.2021.107044 SN - 1056-8719 VL - 111 IS - Article number 107044 PB - Elsevier CY - New York ER -