A multiphase equation of state of three solid phases, liquid, and gas for titanium

A multiple-phase equation of state of the α phase, β phase, ω phase, liquid, and gas for titanium is presented. This equation of state is thermodynamically consistent, based on a three-term semiempirical model for the Helmholtz free energy. The parameters of the free energy are first evaluated from...

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Bibliographic Details
Published in:Journal of applied physics 2005-08, Vol.98 (4)
Main Authors: Pecker, S., Eliezer, S., Fisher, D., Henis, Z., Zinamon, Z.
Format: Article
Language:English
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Summary:A multiple-phase equation of state of the α phase, β phase, ω phase, liquid, and gas for titanium is presented. This equation of state is thermodynamically consistent, based on a three-term semiempirical model for the Helmholtz free energy. The parameters of the free energy are first evaluated from the experimental data and solid-state theoretical calculations. Then, the values of the parameters are adjusted using a numerical minimization scheme based on the simplex algorithm, to values that best reproduce measured phase diagrams and other experimental data. The predicted phase diagram shows a compression-induced β-ω transition, up to a β-ω-liquid triple point at ∼45GPa and ∼2200K. For pressures above this triple point, the melting occurs from the ω phase. Moreover, no β-ω transition is predicted along the Hugoniot curve starting at STP conditions.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.2006226