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    題名: Convergence issues in molecular dynamics simulations of highly entropic materials
    作者: 周子聰;Zhou, Zicong;Joos, Bela
    貢獻者: 淡江大學物理學系
    日期: 1999-09
    上傳時間: 2011-10-24 10:59:41 (UTC+8)
    摘要: When studying the structural properties of highly entropic materials, the usual criteria for the choice of the time step, the stability of the energy and the pressure, are not always appropriate as they may lead to a time step which is an order of magnitude too large. Two different methods, the stress-strain and equilibrium fluctuation methods, are used to calculate the shear modulus and compared to illustrate this point.
    關聯: Modelling and Simulations in Materials Science and Engineering 7(3), pp.383-395
    顯示於類別:[物理學系暨研究所] 期刊論文

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