Spontaneous Crystallization of a Supercooled Lennard-Jones Liquid: Molecular Dynamics Simulation.

The paper presents the results of molecular dynamics (MD) simulation of the kinetics of spontaneous crystallization of a supercooled Lennard-Jones (LJ) liquid. In the study of nucleation, the mean lifetime method, direct forward flux sampling, and the seeding approach were used. The nucleation rate, the number of particles in a critical nucleus, the diffusion coefficient of nuclei in the space of their sizes, and some other parameters have been determined.