定圧分子動力学法によるアルゴンの3重点

抄録

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.