Thermodynamic re-assessment of the Al-Ir system

被引：16
|
作者：
Abe, T. [1 ]
Kocer, C. [2 ]
Ode, M. [1 ]
Murakami, H. [1 ]
Yamabe-Mitarai, Y. [1 ]
Hashimoto, K. [1 ]
Onodera, H. [1 ]
机构：
[1] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan
[2] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia
来源：
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2008年 / 32卷 / 04期
基金：
日本学术振兴会; 日本科学技术振兴机构;
关键词：
Refractory alloy; Bond coat material; Structural vacancy; Ab initio calculations;
D O I：
10.1016/j.calphad.2008.09.014
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The thermodynamic assessment of the Al-Ir binary system was performed using the CALPHAD technique. The B2-Allr phase was described, using the two sublattice model with the formula (Al. Ir, Va)(1/2)(Al, Ir, Va)(1/2), while Al(9)Ir(2), Al(3)Ir, Al(13)Ir(4), Al(45)Ir(13), Al(28)Ir(9), and Al(2.7)Ir compounds were treated as stoichiometric compounds. The fcc-based phases (L1(0)-Allr, L1(2)-Al(3)Ir, L1(2)-Allr(3) and A1) were described using the four sublattice model with the formula, (Al. Ir)(1/4)(Al, Ir)(1/4)(Al. Ir)(1/4)(Al. Ir)(1/4). From ab initio calculations (VASP) the formation enthalpies of the stable/metastable intermetallic phases involved in the Al-Ir system were estimated. The thermodynamic quantities, such as the phase equilibria, invariant reactions, and formation enthalpies of the intermetallic phases, were calculated using the obtained parameter set, and agree well with experimental data. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：686 / 692
页数：7
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