Crystal nucleation in a three-dimensional Lennard-Jones system. II. Nucleation kinetics for 256 and 500 particles

Abstract

We have, by molecular dynamics computer simulation, observed homogeneous, spontaneous crystal nucleation in the 256-particle Lennard-Jones fluid at ρ*=0.91, 0.92, and 0.93, and in the 500-particle fluid at ρ*=0.92, 0.93, and 0.94. For the 500-particle system a nuclear region may be identified, and the nucleation and growth processes are found to be temporally separate. In all these events the nucleated phase was a body-centered (nearly cubic) structure. We believe this to be a manifestation of the Ostwald step rule.