Critical Point of Argon by Constant Energy Molecular Dynamics Based on Cubic Basic Cell

Abstract

Critical point of argon was estimated by constant energy molecular dynamics. The basic cell was cubic, where the central part was lattice at the initial stage. The number of molecules in the basic cell was 6912. The Lennard-Jones potential function was assumed. The pressure and potential energy were obtained as functions of temperature. The critical point was assigned by fluctuation of temperature and the ratio of temperature T and the initial temperature T₀, T/T₀. The estimated critical point temperature and pressure were reasonable compared with experimental data.