The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.
利用密度泛函理论和分子动力学方法,对处于两平行硬墙之间的硬球流体的密度分布进行了计算。
With the rapid development of statistic mechanics theory and computer technology, computer molecular simulation has became a powerful tool to study the fluid in molecular level.
随着统计力学理论和计算机技术的飞速发展,计算机分子模拟已经成为在分子水平上研究流体的一种强有力工具。
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