Liquid metals: early contributions and some recent developments

Abstract

We illustrate in this contribution the progress in the theoretical study of liquid metals made in the last decades, starting from the example of liquid gallium and the early work in Jean-Pierre Badiali's group. This was based on the combination of the perturbation theory with pseudo-potentials for the electrons and the liquid state theory for the ions. More recent developments combining ab initio and classical molecular dynamics simulations are finally illustrated on the example of glass forming alloys.

Keywords

• liquid metals
• structure
• perturbation theory
• simulation