Browsing by Subject "Molecular dynamics"

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  • Schadzek, Patrik; Schlingmann, Barbara; Schaarschmidt, Frank; Lindner, Julia; Koval, Michael; Heisterkamp, Alexander; Ngezahayo, Anaclet; Preller, Matthias (Amsterdam : Elsevier, 2016)
    The structure of hCx26 derived from the X-ray analysis was used to generate a homology model for hCx46. Interacting connexin molecules were used as starting model for the molecular dynamics (MD) simulation using NAMD and ...
  • Muryshev, A.; Shlyapnikov, G.V.; Ertmer, Wolfgang; Sengstock, K.; Lewenstein, M. (American Physical Society, 2002)
    We find two types of moving dark soliton textures in elongated condensates: nonstationary kinks and proper dark solitons. The latter have a flat notch region and we obtain the diagram of their dynamical stability. At finite ...
  • Zhuang, Xiaoying; Wang, Qing; Zhu, Hehua (Basel : MDPI AG, 2017)
    The aim of this paper is to evaluate the effective properties of composite materials with periodic random packing of ellipsoids of different volume fractions and aspect ratios. Therefore, we employ computational homogenization. ...
  • Poll, G.W.G.; Wang, D. (London : SAGE Publications Ltd., 2012)
    The correct prediction of shear stresses in lubricants applied to concentrated rolling/sliding contacts has been an issue of intense debate for many years. Traction testers of various kinds such as two-disc roller rigs or ...
  • Wustelt, Philipp; Oppermann, Florian; Yue, Lun; Möller, Max; Stöhlker, Thomas; Lein, Manfred; Gräfe, Stefanie; Paulus, Gerhard G.; Sayler, A. Max (College Park, MD : American Physical Society, 2018)
    The laser-induced fragmentation dynamics of this most fundamental polar molecule HeH+ are measured using an ion beam of helium hydride and an isotopologue at various wavelengths and intensities. In contrast to the prevailing ...
  • Zhuang, Xiaoying; Zhou, Shuai (Basel : MDPI AG, 2018)
    An amorphous polyethylene/silica (PE/S) interface exists in many materials. However, the research of the interfacial properties at microscale is lacking. Shear failure and adhesion properties of an amorphous PE/S interface ...
  • Turowski, Marcus; Jupé, Marco; Melzig, Thomas; Pflug, Andreas; Ristau, Detlev (Bellingham, WA : S P I E - International Society for Optical Engineering, 2015)
    A multiple scale model approach is presented in order to investigate Al2O3 thin film growth in the framework of an existing Ion Beam Sputtering (IBS) coating process. Therefore, several simulation techniques are combined ...
  • Zhou, Sheng; Wei, Yanying; Li, Libo; Duan, Yifan; Hou, Qianqian; Zhang, Lili; Ding, Liang-Xin; Xue, Jian; Wang, Haihui; Caro, Jürgen (Washington : American Association for the Advancement of Science (A A A S), 2018)
    Metal-organic framework (MOF) membranes show great promise for propene/propane separation, yet a sharp molecular sieving has not been achieved due to their inherent linker mobility. Here, zeolitic imidazolate framework ...
  • Turowski, Marcus; Jupé, Marco; Ehlers, Henrik; Melzig, Thomas; Pflug, Andreas; Ristau, Detlev (Bellingham, WA : S P I E - International Society for Optical Engineering, 2015)
    Simulation and modeling find more and more their way into thin film technology. Beside theoretical models for layer design, pre-production design analysis, and real time process control, atomistic simulation techniques ...
  • Oestreich, Michael; Römer, M.; Haug, Rolf J.; Hägele, D. (College Park, MD : American Physical Society, 2005)
    We observe the noise spectrum of electron spins in bulk GaAs by Faraday-rotation noise spectroscopy. The experimental technique enables the undisturbed measurement of the electron-spin dynamics in semiconductors. We measure ...
  • Buchkremer, F.B.J.; Dumke, R.; Levsen, H.; Birkl, G.; Ertmer, Wolfgang (American Physical Society, 2000)
    A new echo technique to access the coherent and dissipative dynamics of atomic wave packet oscillations in trapping potentials was experimentally and systematically validated. By using this technique, the coherence time ...