Phase Transitions of the Lennard-Jones System

Abstract

Monte Carlo computations have been performed in order to determine the phase transitions of a system of particles interacting through a Lennard-Jones potential. The fluid-solid transition has been investigated using a method recently introduced by Hoover and Ree. For the liquid-gas transition a method has been devised which forces the system to remain always homogeneous. A comparison is made with experiment in the case of argon. An indirect determination of the phase transition of the hard-sphere gas is made which is essentially in agreement with the results of the more direct calculations.