Thermodynamic analysis of the Fe-Mo-B ternary system

Kota Takahashi, Kyohei Ishikawa, Masaaki Fujioka, Masanori Enoki, Hiroshi ohTani

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


Thermodynamic analysis of the Fe-Mo-B ternary system was performed using the CALPAHD approach coupled with the first-principles calculation, and effect of Mo addition in steels on the grain boundary segregation tendency of B was discussed by means of the grain boundary phase model. The calculated phase diagrams and thermodynamic properties well reproduced the experimental data as well as the results of the first-principles computation, and thus the parameter set with high accuracy for this ternary system was evaluated. Grain boundary segregation behavior of B and Mo was analyzed by means of the parallel tangent scheme. The Gibbs energy of the liquid phase obtained in the present work was adopted for that of the grain boundary phase. According to the model, the amount of segregated B in grain boundaries decreased with descending temperature. This phenomenon is due to the formation of boride phases such as Fe2B and τ2 phases in the iron matrix.

Original languageEnglish
Pages (from-to)20-30
Number of pages11
JournalTetsu-To-Hagane/Journal of the Iron and Steel Institute of Japan
Issue number6
Publication statusPublished - 2020 Jun 1


  • CALPHAD method
  • Fe-Mo-B ternary system
  • Grain boundary segregation
  • Phase diagram calculation
  • Thermodynamic analysis

ASJC Scopus subject areas

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


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