Study of the solid–liquid transition for Ar55 using the J-walking Monte Carlo method

Abstract

We present here a study of the solid–liquid transition for Ar55 using classical Monte Carlo techniques. Calculations of the heat capacity as a function of temperature show the expected solid–liquid coexistence region which is identified by anomalies in the heat capacity as a function of temperature. The problem of quasiergodicity observed in this transition is considerable reduced by the implementation of J-walking Monte Carlo. Calculations of the distribution of energies clearly demonstrate the proper sampling of configurational space achieved using the J-walking Monte Carlo algorithm.