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 May 12, 2026)
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Pair Correlation Functions in Mixtures of Lennard-Jones Particles
Published
Author(s)
, 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
Keywords
Lennard-Jones, mixture, molecular dynamics, NPT ensemble, Percus-Yevick equation, pair correlation
Citation
Issues
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Created June 3, 2008, Updated June 2, 2021