Melting by the molecular dynamics simulation on the unit cell of the face-centered cubic lattice

Abstract

To observe molecular motion in the liquid state, we performed molecular dynamics simulation on the unit cell of the face-centered cubic lattice by Lennard-Jones potential. The results show that the vibrational motion and diffusional one are observed in the small cell with the only 4 molecules in the basic cell as in the large cell with the 864 molecules.