Thermodynamic analysis of the Pu-U-B ternary phase diagram

Yuji Nishihara, Hiroshi Ohtani, Mitsuhiro Hasebe

Research output: Contribution to journalArticlepeer-review

Abstract

A thermodynamic analysis of the Pu-U-B ternary system has been carried out using the CALPHAD method. The formation energies of the boride phases MB 2, MB 4, MB 12 of this system obtained from first-principles calculation were utilized to compensate for the lack of experimental information on the phase boundaries and thermodynamic properties of this system. The optimized thermodynamic parameters reproduced the characteristic features of binary phase diagrams quite well. The liquidus surface and isothermal sections were calculated. According to the calculated results, the liquidus temperature was raised with increasing B content.

Original languageEnglish
Pages (from-to)446-452
Number of pages7
JournalNippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume73
Issue number6
DOIs
Publication statusPublished - 2009 Jun

Keywords

  • Calculation of phase diagrams (CALPHAD)
  • Firstprinciples calculations
  • Phase equilibria
  • Plutonium-uranium-boron
  • Thermodynamic analysis

ASJC Scopus subject areas

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

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