定圧分子動力学法によるArの融点と沸点
2022 年 37 巻 p. 29-31
詳細
2022 年 37 巻 p. 29-31
Melting point and boiling point of argon were estimated by constant pressure molecular dynamics. Number of molecules in the basic cell was 6912. The initial configuration was face-centered-cubic lattice. Lennard-Jones potential was assumed. The calculated melting and boiling temperatures were reasonable compared with experiments.
