title: Structure of the liquid-vapor interfaces of Ga, In and the eutectic Ga-In alloy-an ab initio study.
abstract: We report the results of ab initio molecular dynamics simulations for the liquid-vapor interface of the liquid metals Ga, In and the eutectic binary alloy Ga-In (16.5% In) for which experimental data are available. The study was performed by using samples of 3000 particles in a slab geometry with periodic boundary conditions. In those systems, the total ionic density distributions along the normal to the interface display some layering and in the case of the Ga-In alloy there appears a highly enriched layer of the lower surface tension component located outermost at the interface. The results are compared with the available experimental data.
authors.affiliation: Departamento de Física Teórica, Atómica y Optica, Universidad de Valladolid, 47011 Valladolid, Spain.
authors.forename: D J
authors.initials: DJ
authors.lastname: González
authors.forename: L E
authors.initials: LE
authors.lastname: González