Thermodynamic analysis of the Mo-Nb-B ternary phase diagram

Kenta Yamada, Hiroshi Ohtani, Mitsuhiro Hasebe

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

A thermodynamic analysis of the Mo-Nb-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The calculated values for the binary Mo-borides were in reasonable agreement with those found by experiment. However, the results showed that the formation enthalpy of Mo 2B 5 had a positive value, and further experimental investigation of the crystal structure would be necessary. The formation enthalpies for the (Mo, Nb)B 2, (Mo, Nb) 3B 4, (Mo, Nb)B, (Mo, Nb) 2B phases were also determined. The thermodynamic functions determined using these theoretical values, as well as the available experimental information on the phase fields, successfully revealed the phase equilibria in the Mo-Nb-B ternary system over the entire composition and temperature ranges.

Original languageEnglish
Pages (from-to)180-188
Number of pages9
JournalNippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume73
Issue number3
DOIs
Publication statusPublished - 2009 Mar 1
Externally publishedYes

Keywords

  • Borides
  • Calphad {calculation of phase diagrams)
  • First-principles calculations
  • Phase diagram
  • Thermodynamic analysis

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Mechanics of Materials
  • Metals and Alloys
  • Materials Chemistry

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