The Wills–Harrison approach to the thermodynamics of binary liquid transition-metalalloys

Abstract

In the present study, the Wills–Harrison approach in conjunction with theBretonnet–Silbert local model pseudopotential is applied to the thermodynamics of binarytransition-metal liquid alloys. The calculation is performed in the framework of thevariational method of thermodynamic perturbation theory with a hard-sphere referencesystem. The Vashishta–Singwi exchange–correlation function and the Nozières–Pinesexchange–correlation energy are used. The free energy of mixing for liquid Fe–Co alloy iscalculated at different compositions near the melting temperature. The agreement with theexperimental data is quite satisfactory.