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

Division of Inorganic Material Research

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

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

Access to Document

10.2320/jinstmet.73.446

Fingerprint Dive into the research topics of 'Thermodynamic analysis of the Pu-U-B ternary phase diagram'. Together they form a unique fingerprint.

Cite this

@article{35f12caeb6ab482cac1b6863f778f532,

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",

month = jun,

doi = "10.2320/jinstmet.73.446",

language = "English",

volume = "73",

pages = "446--452",

journal = "Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals",

issn = "0021-4876",

publisher = "Japan Institute of Metals (JIM)",

number = "6",

}

TY - JOUR

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

UR - http://www.scopus.com/inward/record.url?scp=68149112568&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=68149112568&partnerID=8YFLogxK

U2 - 10.2320/jinstmet.73.446

DO - 10.2320/jinstmet.73.446

M3 - Article

AN - SCOPUS:68149112568

VL - 73

SP - 446

EP - 452

JO - Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals

JF - Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals

SN - 0021-4876

IS - 6

ER -