Solid Liquid Phase transition for LJ clusters
Clusters melt at a temperature that is lower than the melting temperature of the bulk at the same pressure, due to the high surface-volume ratio of the clusters. We calculated the melting temperature for a small LJ cluster by doing a NPT Monte Carlo simulation. We showed that with this method the melting curve, Tm (P), may be determined.
Ref: Study of solid-liquid phase changes of Lennard-Jones nanoclusters by NPT Monte Carlo Simulations, S. M Gatica, X. Dong and E. Blaisten-Barojas, J. of Computational and Theoretical Nanoscience (2006). PDF