Journal of Chemical Physics, Vol.104, No.17, 6650-6653, 1996
Study of the Solid-Liquid Transition for Ar-55 Using the J-Walking Monte-Carlo Method
We present here a study of the solid-liquid transition for Ar-55 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.