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 the...

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Veröffentlicht in:Journal of physics. Condensed matter 2008-03, Vol.20 (11), p.114111-114111 (5)
Hauptverfasser: Dubinin, N E, Son, L D, Vatolin, N A
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/20/11/114111