Dynamics of atomic pairs in a Lennard-Jones fluid: Mean relative displacement analysis

Ten-Ming Wu, S. L. Chang

研究成果: Article同行評審

6 引文 斯高帕斯(Scopus)

摘要

We have analyzed the dynamics of atomic pairs in a simple fluid in terms of the mean relative displacement of two atoms with a given initial separation. The short-time expansion of the mean relative displacement has been derived exactly beyond the constant acceleration approximation (CAA) (up to the [Formula Presented] order). For a Lennard-Jones fluid, the mean relative displacements calculated by either the CAA or the [Formula Presented]-order approximation have been compared with the results obtained from a molecular-dynamics simulation. Through studying the relative motions of atomic pairs with different initial separations, we give a physical picture of the dynamics of neighboring atoms beyond the CAA.

原文English
頁(從 - 到)2993-3000
頁數8
期刊Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
59
發行號3
DOIs
出版狀態Published - 三月 1999

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