A comparison of the fcc(111) and (100) crystal-melt interfaces by molecular dynamics simulation

Abstract

The molecular dynamics simulation technique is employed to study the fcc (100) and (111) crystal-melt interfaces of a system of Lennard-Jones atoms near the triple-point. A comparison of the structure and thermodynamics of the two interfaces results in a simple picture concerning the role of crystal orientation on the structure of the liquid neighboring the crystal face. © 1980.