Interpretation of pulse-heating experiments for rhenium by quantum molecular dynamics

Abstract

We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid rhenium in the vicinity of melting. We show that some pulse-heating experiments for rhenium can be independently described by the first-principle calculations. Our calculations predict significant volume change of about 6% at melting. We also provide our estimation of the enthalpy of fusion, which is about 33.6 kJ/mol.