Account of Non-Diagonal d-d-Electron Couplings in CoNi Liquid Alloy
The partial Wills-Harrison effective pair potentials in liquid equiatomic Co-Ni alloy are considered. It is shown that the account of the non-diagonal d-d couplings between electrons leads to similar changes in characteristics of the pair-potential first minimum as for Fe-Co and Fe-Ni equiatomic alloys.
Account of Non-Diagonal d-d-Electron Couplings in Fe-Co Liquid Alloy
The partial Wills-Harrison effective pair potentials in liquid equiatomic Fe-Co alloy are considered. It is shown that the account of the non-diagonal d-d couplings between electrons leads to the same changes in characteristics of the pair-potential first minimum as in the case of the pure transition metals.
The Wills–Harrison approach to the thermodynamics of binary liquid transition-metal alloys
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.