The melting of a crystal having a face-centered cubic structure and a Lennard-Jones potential was studied by means of isobaric-isothermal Monte Carlo simulations. Local and collective updates were used sequentially in order to optimize the convergence. It was shown that an important role was played by defects in the mechanism of melting.

Monte Carlo Simulation of the Role of Defects as a Melting Mechanism. L.Gómez, A.Dobry, H.T.Diep: Physical Review B, 2001, 63[22], 224103 (6pp)