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PUBLICATIONS

Pair Correlation Functions in Mixtures of Lennard-Jones Particles

Published

Author(s)

Raymond D. Mountain, Yedhud A. Ben-Naim

Abstract

The pair correlation functions for a mixture of two Lennard-Jones (LJ) particles were computed by both the Percus-Yevick equations and by molecular dynamics. The changes in the pair correlation function resulting from changes in the composition of the mixtures are quite unexpected. The molecular reason for the unexpected behavior is discussed.
Citation
Chemical Physics
Volume
128
Pub Type
Journals

Download Paper

Local Download

Keywords

Lennard-Jones, mixture, molecular dynamics, NPT ensemble, Percus-Yevick equation, pair correlation

Citation

Mountain, R. and Ben-Naim, Y. (2008), Pair Correlation Functions in Mixtures of Lennard-Jones Particles, Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=832375 (Accessed October 14, 2025)

Issues

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Created June 3, 2008, Updated June 2, 2021
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