title: Molecular-dynamics study of liquid nickel above and below the melting point.
abstract: We have investigated the structural and dynamic properties of liquid nickel by means of large-scale molecular-dynamics simulations, using an effective-pair potential derived from the second-order pseudopotential perturbation theory. The model of interactions is assessed on the single-atom as well as collective dynamic properties. The short-range order in the stable and undercooled liquids is also examined. We show that the present model potential gives a description of the local structure in both states in close agreement with first-principles molecular-dynamics simulations.
authors.affiliation: Laboratoire de Physique des Milieux Denses, Université de Metz, 1 Boulevard FD Arago, 57078 Metz Cedex 3, France. jakse@univ-metz.fr
authors.forename: Noël
authors.initials: N
authors.lastname: Jakse
authors.forename: Alain
authors.initials: A
authors.lastname: Pasturel