A study of the freezing transition in the Lennard-Jones system

Bagchi, Biman ; Cerjan, Charles ; Rice, Stuart A. (1983) A study of the freezing transition in the Lennard-Jones system Journal of Chemical Physics, 79 (12). pp. 6222-6228. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v79/i12/p6222...

Related URL: http://dx.doi.org/10.1063/1.445726

Abstract

The freezing of a Lennard-Jones fluid into a face-centered-cubic lattice is examined within the framework of a recently proposed analysis of the nonlinear integral equation that relates the densities of the coexisting liquid and solid phases. The temperature dependent densities of the liquid and solid phases along the coexistence line in the temperature-density plane are calculated and found to be in reasonable agreement with the results of computer simulations.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:4562
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