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Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling
Zhang, YH; Franke, P; Li, DJ; Seifert, HJ; Zhang, YH (reprint author), Trinity Coll Dublin, Sch Phys, Lloyd Bldg, Dublin, Ireland.
2016-12-01
Source PublicationMATERIALS CHEMISTRY AND PHYSICS
ISSN0254-0584
Volume184Pages:233-240
AbstractReliable lattice stability of cubic AlN with rock-salt structure (rs-AlN) is the prerequisite of accurate thermodynamic modeling of cubic (M, Al)N solid solutions (M = Ti, Zr, Cr etc.). In order to derive the Gibbs energy of metastable rs-AlN, and then its lattice stability, we did the pressure-temperature (P-T) assessment of AlN phases by equations-of-state modeling. Meanwhile, the molar volumes and the heat capacities of wurtzite and rock-salt AlN, as well as the wurtzite-to-rock-salt structural transition at high P&T were successfully incorporated in CALPHAD-type database by integrating thermodynamic data from experiments and ab-initio calculations. These results promise subsequent investigations on phase stabilities and transitions of solid solutions with AlN component and the development of novel multi-component coatings. (C) 2016 Elsevier B.V. All rights reserved.
description.department[zhang, yanhui ; franke, peter ; li, dajian ; seifert, hans juergen] karlsruhe inst technol, inst appl mat appl mat phys iam awp, hermann von helmholtz pl 1, d-76344 eggenstein leopoldshafen, germany ; [zhang, yanhui] chinese acad sci, shenyang natl lab mat sci, inst met res, high performance ceram div, shenyang 110016, peoples r china
KeywordEquations-of-state Thermodynamic Properties Phase Transitions Coatings
Subject AreaMaterials Science, Multidisciplinary
Funding OrganizationHelmholtz Association
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/76168
Collection中国科学院金属研究所
Corresponding AuthorZhang, YH (reprint author), Trinity Coll Dublin, Sch Phys, Lloyd Bldg, Dublin, Ireland.
Recommended Citation
GB/T 7714
Zhang, YH,Franke, P,Li, DJ,et al. Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling[J]. MATERIALS CHEMISTRY AND PHYSICS,2016,184:233-240.
APA Zhang, YH,Franke, P,Li, DJ,Seifert, HJ,&Zhang, YH .(2016).Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling.MATERIALS CHEMISTRY AND PHYSICS,184,233-240.
MLA Zhang, YH,et al."Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling".MATERIALS CHEMISTRY AND PHYSICS 184(2016):233-240.
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