This paper introduces the Molecular Dynamics method, including its thought way, simulation process and simulation details.
本文系统介绍了分子动力学方法, 包括其模拟思想 、 步骤和细节.
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Furthermore, the hydrogen adsorption behavior in carbon nanotubes was simulated using GCMC molecular dynamics method.
并采用巨正则蒙特卡罗分子动力学方法模拟了纳米碳管中氢的存储行为.
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