Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology

doi:10.1016/j.commatsci.2018.10.042

IMR OpenIR

	Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology
	Cao, Shuo 1,2; Jiang, Yong 3,4; Yang, Rui 2; Hu, Qing-Miao 2
通讯作者	Hu, Qing-Miao(qmhu@imr.ac.cn)
	2019-02-15
发表期刊	COMPUTATIONAL MATERIALS SCIENCE
ISSN	0927-0256
卷号	158 页码:49-57
摘要	omega phase precipitating in a beta-Ti alloy is generally detrimental to the ductility and plasticity of the alloy.To understand the influence of omega phase on the mechanical properties of beta-Ti alloys, the property of the beta/omega interface is demanded.In this regard, we calculate the interface energies (gamma(int)), cleavage energies (gamma(cl)), and generalized stacking fault energies (gamma) of the beta/omega interfaces with different orientations using a first-principles method.Our calculations predict interface energies of 0.32 J m(-2) and 0.03 J m(-2) for the (1 1 (1) over bar)(beta)/(0 0 0 1)(omega) and (1 1 2)(beta)/(1 0 (1) over bar 0)(omega) interfaces, respectively.The strong anisotropy of the interface energy contributes to the ellip-soid-like morphology of omega phase with its major axis parallel to the < 1 1 1 >(beta) direction.The influence of the interface on the ductility of the alloy is discussed with the calculated cleavage energies and the unstable stacking fault energies (gamma(us)) extracted from the generalized stacking fault energy (GSFE). The gamma(cl)/gamma(us) ratio of the (1 1 2)(beta)/(1 0 10)(omega) interface is lower than those of the main slip planes of the bulk phases, indicating that this interface is prone to crack initiation and propagation as compared to the bulk and contributes to theca-embrittlement of beta-Ti alloys.
关键词	Titanium alloys Generalized stacking fault energy Interface energy First-principles calculations
资助者	National Key Basic Research Program ; National Key Research and Development Program of China
DOI	10.1016/j.commatsci.2018.10.042
收录类别	SCI
语种	英语
资助项目	National Key Basic Research Program[2014CB644001] ; National Key Research and Development Program of China[2016YFB0701301]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000456022400007
出版者	ELSEVIER SCIENCE BV
引用统计	被引频次：8[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/321006/131304
专题	中国科学院金属研究所
通讯作者	Hu, Qing-Miao
作者单位	1.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 3.Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China 4.Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China
推荐引用方式 GB/T 7714	Cao, Shuo,Jiang, Yong,Yang, Rui,et al. Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology[J]. COMPUTATIONAL MATERIALS SCIENCE,2019,158:49-57.
APA	Cao, Shuo,Jiang, Yong,Yang, Rui,&Hu, Qing-Miao.(2019).Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology.COMPUTATIONAL MATERIALS SCIENCE,158,49-57.
MLA	Cao, Shuo,et al."Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology".COMPUTATIONAL MATERIALS SCIENCE 158(2019):49-57.