Thermodynamic analysis of phase equilibria in the Cr-Mo-B ternary system

被引：12

作者：

Tojo, Masayuki ^{[2
]}

Tokunaga, Tatsuya ^{[1
]}

Ohtani, Hiroshi ^{[3
]}

Hasebe, Mitsuhiro ^{[3
]}

机构：

[1] Kyushu Inst Technol, Dept Appl Sci Integrated Syst Engn, Tobata Ku, Kitakyushu, Fukuoka 8048550, Japan

[2] Kyushu Inst Technol, Grad Sch Engn, Tobata Ku, Kitakyushu, Fukuoka 8048550, Japan

[3] Kyushu Inst Technol, Dept Mat Sci & Engn, Tobata Ku, Kitakyushu, Fukuoka 8048550, Japan

来源：

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2010年 / 34卷 / 03期

关键词：

Chromium-molybdenum-boron; CALPHAD; First-principles calculations; Borides;

D O I：

10.1016/j.calphad.2010.04.003

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A thermodynamic analysis of the phase equilibria in the Cr-Mo-B ternary system has been carried out by combining first-principles calculations with the CALPHAD approach. The thermodynamic descriptions of three binary systems relevant to this ternary phase diagram were taken from previous studies. The enthalpy of formation of the (Cr, Mo)(2)B (Al2Cu-type, tI12, space group 14/mcm), (Cr, Mo)(3)B-2 (U3Si2-type, tP10, space group P4/mbm), (Cr,Mo)B (CrB-type, oC8, space group Cmcm), (Cr, Mo)(3)B-4 (Ta3B4-type, o114, space group Immm), and (Cr, Mo)B-2 (AIB(2)-type, hP3, space group P6/mmm) phases were obtained from first-principles calculations. The ternary thermodynamic parameters evaluated using these theoretical values, as well as the available experimental information on the phase boundaries, enabled us to calculate the phase equilibria in the Cr-Mo-B ternary system over the entire composition and temperature ranges. (C) 2010 Elsevier Ltd. All rights reserved.

引用

页码：263 / 270

页数：8

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