The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight

doi:10.1007/s10853-022-06905-6

IMR OpenIR

	The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight
	Ma, Shang-Yi 1,2; Chen, Qiu-Jie 1,2,3,4,5; Zhang, Wen-Yu 1,2; Wang, Shao-Qing 1,2
通讯作者	Wang, Shao-Qing(sqwang@imr.ac.cn)
	2022-02-01
发表期刊	JOURNAL OF MATERIALS SCIENCE
ISSN	0022-2461
卷号	57 期号:7 页码:4625-4642
摘要	The nucleation, growth, evolution, morphology, volume size, and distribution of omega and alpha" phases significantly predominate various properties of beta-Ti alloys. Therefore, the heterophase interfaces of beta/omega and beta/alpha" are both common and very important since they essentially dominate the whole process from nucleation to distribution of omega and alpha" product phases. In this study, the heterophase interfaces of beta/omega and beta/alpha" in beta-Ti alloys are carefully studied using first-principles method. The favorable local microstructures of beta/omega and beta/alpha" interfaces are explicitly determined. The calculations show the intermediate state at interface can smooth the structure changes across interface, thereby reducing the interfacial energy. Then the interfacial energies of the favorable interfaces functioned with the types and concentrations of the typical beta-stabilizers such as Mo, Nb, and V are investigated. Furthermore, the effects of beta-stabilizers on the nucleation morphologies of omega and alpha" phases are described from the perspective of interfacial energies and interfacial anisotropy, which show that the omega, alpha" embryos tend to be strip- and cube-like, respectively. Lastly, the most favorable beta/omega and beta/alpha" interfaces are discussed from the viewpoint of reducing interface strain. The present studies provide deep and explicit insights into beta/omega and beta/alpha" interfaces and a theoretical basis not only for the further study of microstructure evolution using phase field simulations, but also for further investigation on alloying effects of beta-stabilizers, so as to eventually achieve the bottom-up design of beta-Ti alloys.
资助者	National Key R&D Program of China ; CAS Frontier Science Research Project ; SYNL Basic Frontier & Technological Innovation Research Project
DOI	10.1007/s10853-022-06905-6
收录类别	SCI
语种	英语
资助项目	National Key R&D Program of China[2016YFB0701302] ; CAS Frontier Science Research Project[QYZDJSSW-JSC015] ; CAS Frontier Science Research Project[QYZDY-SSW-JSC027] ; SYNL Basic Frontier & Technological Innovation Research Project[L2019R10]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000751206000001
出版者	SPRINGER
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/321006/173561
专题	中国科学院金属研究所
通讯作者	Wang, Shao-Qing
作者单位	1.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 3.Chinese Acad Sci, Fujian Inst Res Struct Matter, CAS Key Lab Design & Assembly Funct Nanostruct, Fuzhou 350002, Peoples R China 4.Chinese Acad Sci, Fujian Inst Res Struct Matter, Fujian Prov Key Lab Nanomat, Fuzhou 350002, Peoples R China 5.Chinese Acad Sci, Xiamen Inst Rare Earth Mat, Haixi Inst, Xiamen 361021, Peoples R China
推荐引用方式 GB/T 7714	Ma, Shang-Yi,Chen, Qiu-Jie,Zhang, Wen-Yu,et al. The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight[J]. JOURNAL OF MATERIALS SCIENCE,2022,57(7):4625-4642.
APA	Ma, Shang-Yi,Chen, Qiu-Jie,Zhang, Wen-Yu,&Wang, Shao-Qing.(2022).The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight.JOURNAL OF MATERIALS SCIENCE,57(7),4625-4642.
MLA	Ma, Shang-Yi,et al."The properties of typical beta/omega and beta/alpha '' heterophase interfaces in beta-Ti alloys from a first-principles insight".JOURNAL OF MATERIALS SCIENCE 57.7(2022):4625-4642.