Thermodynamic Properties of Liquid Binary Transition-Metal Alloys in the Bretonnet-Silbert Model
In the present study, we apply the Bretonnet-Silbert local model pseudopotential, which takes into account the s-d hybridization in interacting between ion and s-electron to calculate the thermodynamic properties of binary transition-metal liquid alloys. The Wills-Harrison approach is used to take into account the d-electron terms in the free energy. We use the simplest variant of the variational method of the thermodynamic perturbation theory (with the hard-sphere reference system), the Vashishta-Singwi exchange-correlation function, and the Lorenz form of the density of d-electron states. The free energy of mixing, internal energy of mixing, and excess entropy of mixing are calculated for a Fe-Co liquid alloy at different compositions near the melting temperature. The agreement with the experimental data is quite satisfactory.
J. Čermák and I. Stloukal
N.E. Dubinin et al., "Thermodynamic Properties of Liquid Binary Transition-Metal Alloys in the Bretonnet-Silbert Model", Defect and Diffusion Forum, Vol. 263, pp. 105-110, 2007