Thermodynamic description of the Ta-W-Zr system

Cuiping Guo, Changrong Li, Shunli Shang, Zhenmin Du

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

The Ta-W, W-Zr and Ta-W-Zr systems are critically reviewed and modeled using the CALPHAD technique. The enthalpy of formation of the stoichiometric compound W2Zr in the W-Zr system is predicted from first-principles calculations. The solution phases (liquid, bcc and hcp) are modeled by the substitutional solution model. The compound W2Zr is treated with the formula (Ta,W)2Zr in the Ta-W-Zr system because of a significant solid solubility of Ta in W2Zr. All experimental data, including the Gibbs energy of formation, enthalpy of formation, activity of Ta and W of bcc phase at 1 200 K, Ta-W and W-Zr phase diagrams, and three isothermal sections of the Ta-W-Zr system at 1 073, 1 098, and 1 873 K, are reproduced in the present work. A set of self-consistent thermodynamic parameters of the Ta-W-Zr system is obtained.

Original languageEnglish (US)
Pages (from-to)1048-1056
Number of pages9
JournalInternational Journal of Materials Research
Volume105
Issue number11
DOIs
StatePublished - Jan 1 2014

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Metals and Alloys
  • Materials Chemistry

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