Thermodynamic re-assessment of the Al-Ir system

被引：17

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：

日本科学技术振兴机构; 日本学术振兴会;

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

页码：686 / 692

页数：7

共 60 条

[1] A thermodynamic description of the Al-Ir system [J].

Abe, T. ;

Ode, M. ;

Murakami, H. ;

Oh, C. S. ;

Kocer, C. ;

Yamabe-Mitarai, Y. ;

Onodera, H. .

THERMEC 2006, PTS 1-5, 2007, 539-543 :2389-+

[2] A description of the effect of short range ordering in the compound energy formalism [J].

Abe, T ;

Sundman, B .

CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2003, 27 (04) :403-408

[3]

[Anonymous], ADV XRAY ANAL

[4] Thermodynamic assessment of the Al-Ni system [J].

Ansara, I ;

Dupin, N ;

Lukas, HL ;

Sundman, B .

JOURNAL OF ALLOYS AND COMPOUNDS, 1997, 247 (1-2) :20-30

[5] PHASE INVESTIGATIONS OF THE AL-IR SYSTEM [J].

AXLER, KM ;

FOLTYN, EM ;

PETERSON, DE ;

HUTCHINSON, WB .

JOURNAL OF THE LESS-COMMON METALS, 1989, 156 :213-219

[6]

BENNETT A, 1986, MATER SCI TECH SER, V2, P257, DOI 10.1179/026708386790123378

[7] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[8] The Co2Al9 structure type revisited [J].

Boström, M ;

Rosner, H ;

Prots, Y ;

Burkhardt, U ;

Grin, Y .

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2005, 631 (2-3) :534-541

[9] Synthesis, phase relationship and crystal structure of the new binary compound Ir13Al45 [J].

Boström, M ;

Niewa, R ;

Prots, Y ;

Grin, Y .

JOURNAL OF SOLID STATE CHEMISTRY, 2005, 178 (01) :339-345

[10] THERMODYNAMICS AND DEFECT STRUCTURE OF INTERMETALLIC PHASES WITH THE B2 (CSCL) STRUCTURE [J].

CHANG, YA ;

NEUMANN, JP .

PROGRESS IN SOLID STATE CHEMISTRY, 1982, 14 (04) :221-301

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