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Article Dans Une Revue Calphad Année : 2012

First-principles calculations of phase stability in the Ti-Zr-Si ternary system

Résumé

First-principles calculations of the enthalpies of formation of ternary compounds with Fe2P-type (C22, hP9, , N°189) and Mn5Si3-type (D88, hP16, P63/mcm, N°193) structures have been performed in the Ti-Zr-Si system. At low temperature, two ternary compounds C22- Ti3Zr3Si3 and D88-Ti4Zr6Si3 are stable. The existence at high temperature of two solid solutions, (TiZr)5Si3 with the Mn5Si3-type structure and (TiZr)2Si with the Fe2P-type structure, is emphasized. The calculated isothermal section at 1323 K agrees well with the experimental results in the Ti-rich region.

Domaines

Matériaux

Dates et versions

hal-00756316 , version 1 (22-11-2012)

Identifiants

Citer

Catherine Colinet, Jean-Claude Tedenac. First-principles calculations of phase stability in the Ti-Zr-Si ternary system. Calphad, 2012, 37, pp.94-99. ⟨10.1016/j.calphad.2012.02.003⟩. ⟨hal-00756316⟩
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