1.
J Phys Condens Matter
; 20(11): 114111, 2008 Mar 19.
Artigo
em Inglês
| MEDLINE
| ID: mdl-21694204
RESUMO
In the present study, the Wills-Harrison approach in conjunction with the Bretonnet-Silbert local model pseudopotential is applied to the thermodynamics of binary transition-metal liquid alloys. The calculation is performed in the framework of the variational method of thermodynamic perturbation theory with a hard-sphere reference system. The Vashishta-Singwi exchange-correlation function and the Nozières-Pines exchange-correlation energy are used. The free energy of mixing for liquid Fe-Co alloy is calculated at different compositions near the melting temperature. The agreement with the experimental data is quite satisfactory.