A computer program for molecular dynamics of dilute gases

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Abstract

A general flexible program for computer experiments with dilute gases approaching equilibrium is described. The program uses the Alder-Wainwright algorithm between collisions, and solves the Newton equations for binary and multiple collisions, making use of the conservation laws in the binary case. The program may be used for both central and noncentral interactions, and time-irreversible or multiple-particle interactions can simply be added. Examples of results, for 100 particles in a 2-dimensional box and for 125 particles in a 3-dimensional box, are described, and the time symmetry of the calculation is checked and discussed.

Original languageEnglish
Pages (from-to)341-353
Number of pages13
JournalJournal of Computational Physics
Volume10
Issue number2
DOIs
StatePublished - Oct 1972

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