Bulletin of Research Center for Computing and Multimedia Studies, Hosei University
Online ISSN : 1882-7594
Triple Point of Argon by Constant Pressure Molecular Dynamics
Yosuke Kataoka
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RESEARCH REPORT / TECHNICAL REPORT FREE ACCESS

2022 Volume 37 Pages 21-24

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Abstract

Triple point of argon was estimated by constant pressure molecular dynamics simulation. The number of molecules in the basic cell was 6912. The Lennard-Jones potential function was assumed. The density and potential energy were obtained as functions of the initial temperature. The triple point was assigned by atomic configuration, potential energy and density. The estimated triple point temperature was reasonable compared with experimental data.

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