2008
DOI: 10.1088/0953-8984/20/11/114111
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The Wills–Harrison approach to the thermodynamics of binary liquid transition-metal alloys

Abstract: 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… Show more

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Cited by 22 publications
(20 citation statements)
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“…Earlier, in the framework of the WH model we calculated the concentration dependencies of the Helmholtz free energy of mixing, F  , for liquid Fe-Co [24] and Fe-Ni [26] …”
Section: Resultsmentioning
confidence: 99%
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“…Earlier, in the framework of the WH model we calculated the concentration dependencies of the Helmholtz free energy of mixing, F  , for liquid Fe-Co [24] and Fe-Ni [26] …”
Section: Resultsmentioning
confidence: 99%
“…The expression for the structure-dependent d-electron energy of the binary mixture was obtained in [24]:…”
Section: Theorymentioning
confidence: 99%
“…Γ * is effective plasma parameter, Γ * = Z 2 e 2 β/r s , r s is the radius of the atomic sphere, r s = (3Ω/4π) 3 . β = k B t, where k B and t are Boltzmann constant and absolute temperature, respectively.…”
Section: Theorymentioning
confidence: 99%
“…The calculations of the atomic interactions in bonded metals have mainly been based on the density dependent pairwise potentials derived from electronion pseudopotential with the linear response theory and second order perturbation theory. The statistical mechanics side of the problem has been calculated with perturbation theory integral equations and computer simulations [1][2][3][4][5][6][7][8][9][10]. Although a lot of work has been done on both the structure and thermodynamics, still some questions await a definite answer.…”
Section: Introductionmentioning
confidence: 99%
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