MOLECULAR DYNAMIC SIMULATION FOR INTERFACE PHENOMENA AND SURFACE TENSION OF LIQUID
液体界面现象及表面张力的分子动力学模拟

In this paper, the interface phenomenon including solidliquid, liquid-gas and gas-solid of krypton is studied by means of the molecular dynamic computer simulation method. It is shown that the zero radial distribution of liquid is arranged in order, atoms at the side of the liquid near the interface of solid-liquid have similar-crystal structure, and at the surface of solid there is an absorptive layer with gases. The result of surface tension obtained is in agreement with the experimental data. This fact shows that Lennard-Jones potential may well describe atomic interaction for spherical atoms, and the truncated effect may be ignored in calculating surface tension.