Effect of the ordering potential on the structure of liquid alloys

¹ Laboratoire de Physique et Chimie Quantique (L.P.C.Q.), Département de Physique, Faculté des Sciences, Université de Tizi-Ouzou, Campus de Hasnaoua, 15000 Tizi-Ouzou, Algeria.
² Laboratoire de Physique des Milieux Denses (L.P.M.D.) Institut de Chimie, Physique et Matériaux, Université Paul Verlaine – Metz. 1, Bd D. F. Arago 57078 Metz Cedex 3, France.
(E-mail gasser@univ-metz.fr)

Abstract

The concept of “ordering or alloying potential” (J. Hafnerⁱ: from Hamiltonians to phase diagrams: Springer Berlin 1987 and R. N. Singh and F. Sommerⁱⁱ Rep. Prog. Phys. 60 (1997) 57–150) enables the understanding of the different kind of alloys: hetero-coordinated one’s leading to compounds, homocoordinated ones leading to miscibility gap systems and substitutional alloys. The ordering potential is based on the comparison of identical atom interionic potentials (V₁₁ and V₂₂) and different atom interionic potential (V₁₂) It allows the description of the demixing properties of some alloys. In order to understand the concepts, we developed our calculations by using a Lennard-Jones potential, the atomic structure being calculated by molecular dynamics simulation. We obtained surprising and unexpected results putting in evidence the time of simulation and the strength of the ordering potential.