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

Yu Nakama, Hiroshi Ohtani, Mitsuhiro Hasebe

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

A thermodynamic analysis of the Nb-Ti-B ternary system was carried out by estimating the unknown thermodynamic properties of binary and ternary borides by using a first-principles method. The calculated value for the binary TiB 2 phase was in reasonable agreement with those found by experiment. Due to a lack of experimental values concerning thermodynamic properties of the ternary system, the formation enthalpies for the Nb3B 2-Ti3B2, NbB-TiB (Cmcm), NbB-TiB (Pnma), Nb5B6-Ti5B6, Nb3B 4-Ti3B4, and NbBs2-TiB2 pseudo-binary sections were also determined by constructing various kinds of superstructures for binary borides. 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 Nb-Ti-B ternary system across the entire composition and all temperature ranges.

Original languageEnglish
Pages (from-to)984-993
Number of pages10
JournalMaterials Transactions
Volume50
Issue number5
DOIs
Publication statusPublished - 2009 May

Keywords

  • First-principles calculation
  • Phase diagram
  • Ternary borides
  • Thermodynamic analysis

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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