Computer simulation of melting in a two-dimensional Lennard-Jones system

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Abstract
The melting in a two-dimensional Lennard-Jones system is investigated by the molecular-dynamics technique. "Final-size" effects on the melting are analyzed by performing calculations for systems with up to 3600 particles. The phase transition is weakly first order, but analysis of the crystal shows that there is a weak increase in the density of crystal defects as the size of the system is increased. The defects appear in large loops just before melting. The size effect on the defects in the lattice will weaken the first-order transition further when the size of the system is increased. DOI: http://dx.doi.org/10.1103/PhysRevA.24.2735 © 1981 The American Physical Society