Calculations of g(r) for Liquid Cu and Ni Using Many-Body

Abstract

The pair distribution function, g(r), for Ni and Cu at various temperatures above melting are investigated by using the Finnis-Sinclair (FS) many-body potentials and the thermodynamically self-consistent Variational Modified Hypernetted Chain (VMHNC) theory. The overall agreement with experiment is reasonably good. The calculations indicate that the many-body interactions, precisely taken care of by the FS potentials, are important for the study of g(r) for the liquid transition and noble metals. The results also permit us to examine the applicability of the temperature independent approximation of the FS potentials.

Key Words:

• Liquid Cu and Ni
• many body potentials
• variational modified hypernetted chain theory