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) |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 0953-8984 1361-648X |
DOI: | 10.1088/0953-8984/20/11/114111 |