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

Ten-Ming Wu, S. L. Chang

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)2993-3000
Number of pages8
JournalPhysical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
Volume59
Issue number3
DOIs
StatePublished - 1 Jan 1999

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