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

Yuji Nishihara; Hiroshi Ohtani; Mitsuhiro Hasebe

doi:10.2320/jinstmet.73.446

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

Yuji Nishihara, Hiroshi Ohtani, Mitsuhiro Hasebe

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	446-452
Number of pages	7
Journal	Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume	73
Issue number	6
DOIs	https://doi.org/10.2320/jinstmet.73.446
Publication status	Published - 2009 Jun
Externally published	Yes

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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10.2320/jinstmet.73.446

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title = "Thermodynamic analysis of the Pu-U-B ternary phase diagram",

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.",

keywords = "Calculation of phase diagrams (CALPHAD), Firstprinciples calculations, Phase equilibria, Plutonium-uranium-boron, Thermodynamic analysis",

author = "Yuji Nishihara and Hiroshi Ohtani and Mitsuhiro Hasebe",

year = "2009",

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doi = "10.2320/jinstmet.73.446",

language = "English",

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T1 - Thermodynamic analysis of the Pu-U-B ternary phase diagram

AU - Nishihara, Yuji

AU - Ohtani, Hiroshi

AU - Hasebe, Mitsuhiro

PY - 2009/6

Y1 - 2009/6

N2 - 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.

AB - 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.

KW - Calculation of phase diagrams (CALPHAD)

KW - Firstprinciples calculations

KW - Phase equilibria

KW - Plutonium-uranium-boron

KW - Thermodynamic analysis

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

Abstract

Keywords

ASJC Scopus subject areas

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