Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

Masayuki Tojo; Hiroshi Ohtani; Mitsuhiro Hasebe

doi:10.2320/jinstmet.73.674

Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

Masayuki Tojo, Hiroshi Ohtani, Mitsuhiro Hasebe

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V) ₂B, (Fe, V)₃B₂, (Fe, V)₃B4, (Fe, V)B₂ phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges.

Original language	English
Pages (from-to)	674-682
Number of pages	9
Journal	Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
Volume	73
Issue number	9
DOIs	https://doi.org/10.2320/jinstmet.73.674
Publication status	Published - 2009 Sept
Externally published	Yes

Keywords

Borides
Calculation of phase diagrams (CALPHAD)
First-principles calculations
Phase diagram
Thermodynamic analysis

ASJC Scopus subject areas

Condensed Matter Physics
Mechanics of Materials
Metals and Alloys
Materials Chemistry

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10.2320/jinstmet.73.674

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title = "Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram",

abstract = "A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V) 2B, (Fe, V)3B2, (Fe, V)3B4, (Fe, V)B2 phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges.",

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author = "Masayuki Tojo and Hiroshi Ohtani and Mitsuhiro Hasebe",

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T1 - Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

AU - Tojo, Masayuki

AU - Ohtani, Hiroshi

AU - Hasebe, Mitsuhiro

PY - 2009/9

Y1 - 2009/9

N2 - A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V) 2B, (Fe, V)3B2, (Fe, V)3B4, (Fe, V)B2 phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges.

AB - A thermodynamic analysis of the Fe-V-B ternary system has been carried out by estimating the unknown thermodynamic properties of binary and ternary borides using a first-principles method. The formation enthalpies for the (Fe, V) 2B, (Fe, V)3B2, (Fe, V)3B4, (Fe, V)B2 phases were obtained from the calculations. For the compound phases of which crystal structures were unidentified, the thermodynamic properties were determined by analyzing the experimental data for the phase diagrams. The thermodynamic functions determined by using these theoretical values, as well as the available experimental information on the phase fields successfully revealed the phase equilibria in the Fe-V-B ternary system over the entire composition and temperature ranges.

KW - Borides

KW - Calculation of phase diagrams (CALPHAD)

KW - First-principles calculations

KW - Phase diagram

KW - Thermodynamic analysis

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

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Thermodynamic Analysis of the Fe-V-B Ternary Phase Diagram

Abstract

Keywords

ASJC Scopus subject areas

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