Melting Transition of Lennard-Jones Molecules

Abstract

The threshold energy for an atom-pair exchange in an fcc lattice with Lennard-Jones interaction is extensively evaluated as a function of the reduced volume $\frac{v}{v^{*}}$. The essentially geometric character of melting based on this process for values of $\frac{v}{v^{*}}$ in the interval $0.90<\mathrm{}\frac{v}{v^{*}}<0.95\mathrm{}$ is thereby obtained. This is the interval singled out by the Monte Carlo method as the solid-fluidlike transition region for argon.