Accurate Melting Temperatures for Neon and Argon from Ab Initio Monte Carlo Simulations

Abstract

Monte Carlo simulations using first-principles many-body interaction potentials for clusters containing “magic numbers” of neon and argon atoms (NeN, ArN, N=13, 55, 147, 309, 923) can provide melting temperatures Tm, which when extrapolated to the bulk are in excellent agreement with experimental findings.