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通过从多个方面来阐述超临界流体的分子动力学模拟,介绍超临界流体在分子动力学模拟中用到的势能模型,阐述在模拟的过程中我们应该从哪些方面入手来分析数据,确立有用的研究价值。
The molecular dynamics simulations of supercritical fluid are introduced in many aspects. The potential energy model used in the molecular dynamics simulation of supercritical fluid is introduced. In the process of simulation, we should analyze the data from which aspects and establish the usefulness Research value.