Studies in molecular dynamics. XVII. Phase diagrams for ’’step’’ potentials in two and three dimensions

Molecular dynamics calculations in two and three dimensions for particles interacting with a repulsive step potential show local maxima and minima in the melting curve and solid–solid isostructural phase transitions. The phase diagrams constructed from the combination of high temperature perturbation theory, finite-temperature molecular dynamics, and exact zero-temperature calculations are compared with experimental cerium and cesium phase diagrams.