Solid-liquid phase coexistence of the Lennard-Jones system through phase-switch Monte Carlo simulation

The phase-switch Monte Carlo method was used to calculate the solid-liquid phase coexistence of the Lennard-Jones system. It was shown that the method directly accesses coexistence information about a system while avoiding simulation of the interfacial region. An analysis of specific volume probability distributions was used to determine the coexistence properties. The finite size effects were examined and two techniques were considered for accounting for long-range interactions.