定温定圧分子動力学によるアルゴンの昇華圧曲線
キーワード:
Sublimation Pressure Curve,
Argon,
Constant Temperature Constant Pressure Molecular Dynamics,
Lennard-Jones Potential
2025 年 40 巻 p. 8-10
詳細
2025 年 40 巻 p. 8-10
Sublimation pressure curve of argon was estimated by constant temperature and constant pressure molecular dynamics. The basic cell was cubic, where the FCC lattice was assumed at the initial stage. The number of molecules in the basic cell was 2916. The Lennard-Jones potential function was assumed. The density and potential energy were obtained as functions of temperature and pressure. The estimated sublimation pressure curve was reasonable compared with experimental data.
