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- W3148325650 abstract "Abstract A thermodynamic model of the V–Zr binary system is established by CALPHAD approach combined with first-principles calculations. The predicted Gibbs free energies of the compound V 2Zr and other end-members in the sublattice model for the V 2Zr phase by the first-principles calculations are used to describe the lattice stabilities of this phase. A set of model parameters for the V–Zr system is obtained via thermodynamic optimization by using the PARROT module in Thermo-Calc software. The calculated phase diagram agrees well with the reported experimental data." @default.
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- W3148325650 date "2012-03-01" @default.
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- W3148325650 title "First-principles calculations and thermodynamic modeling of the V–Zr system" @default.
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- W3148325650 doi "https://doi.org/10.1016/j.calphad.2011.07.003" @default.
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