Melting of square crystals in two dimensions

Thomas A. Weber and Frank H. Stillinger
Phys. Rev. E 48, 4351 – Published 1 December 1993
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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

Authors & Affiliations

Thomas A. Weber

  • Division of Information Systems, National Science Foundation, Washington, D.C. 20550

Frank H. Stillinger

  • AT&T Bell Laboratories, Murray Hill, New Jersey 07974

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Vol. 48, Iss. 6 — December 1993

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