Abstract
A 2500-particle molecular-dynamics simulation has been carried out for a two-dimensional continuum model whose classical ground state is a crystal with square symmetry. The interaction potential comprises two-body and three-body contributions. Evidence from both heating and cooling sequences indicates that the crystal-liquid transition is a conventional first-order phase change. Inherent structures (potential-energy minima) have been constructed for the homogeneous liquid over a wide temperature range, for the crystal-liquid coexistence state, and for a defective crystalline state. Liquid-phase inherent structures display a vivid polycrystalline character that is strongly obscured by equilibrium thermal motions.
- Received 23 June 1993
DOI:https://doi.org/10.1103/PhysRevE.48.4351
©1993 American Physical Society