Lattice stability of metastable AlN and wurtzite-to-rock-salt structural transformation by CALPHAD modeling

IMR OpenIR

	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
发表期刊	MATERIALS CHEMISTRY AND PHYSICS
ISSN	0254-0584
卷号	184 页码:233-240
摘要	Reliable 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.
部门归属	[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
关键词	Equations-of-state Thermodynamic Properties Phase Transitions Coatings
学科领域	Materials Science, Multidisciplinary
资助者	Helmholtz Association
收录类别	sci
语种	英语
WOS记录号	WOS:000387192200028
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/76168
专题	中国科学院金属研究所
通讯作者	Zhang, YH (reprint author), Trinity Coll Dublin, Sch Phys, Lloyd Bldg, Dublin, Ireland.
推荐引用方式 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.