The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight

doi:10.1016/j.jmst.2020.11.056

IMR OpenIR

	The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight
	Chen, Qiu-Jie 1,2; Ma, Shang-Yi 1; Wang, Shao-Qing 1
通讯作者	Ma, Shang-Yi(hyma@imr.ac.cn)
	2021-07-30
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	80 页码:163-170
摘要	The omega phase is commonly observed in beta-Ti alloys and plays a significant role on various properties of beta-Ti alloys. Although many results about the role of omega phase on mechanical properties of beta-Ti alloys have been derived from theoretical and experimental studies, the role of omega phase on deformation mechanism hitherto remains elusive and deserves to be further studied. In this work, the role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys were investigated by first-principles calculations at atomic scale. In the energy favorable interface of (112)(beta)/(10 (1) over bar0)(omega), we found that partial dislocations slipping on the successive (10 (1) over bar0)(omega) planes of omega phase can lead to the formation of {112} < 111 >(beta) twin nucleus. And the twin nucleus grows inwards omega grain interior through atomic shuffle. Thus, a new twinning mechanism of {112} < 111 >(beta) assisted by omega phase was proposed. Furthermore, our calculations indicated that the appearance of ITB (interfacial twin boundary) omega phase can improve the stability of the symmetrical {112} < 111 >(beta) twin boundary (TB), which can well explain the experimental phenomenon that the ITB omega phase always accompanies the formation of {112} < 111 >(beta) twin. Finally, a probable microstructure evolution sequence was suggested, namely beta matrix -> beta matrix + athermal omega phase -> (112) [11 (1) over bar](beta) twin -> (112) [11 (1) over bar](beta) twin + ITB omega phase. Our calculations provide new insights on the role played by omega phase during the twinning process of {112} < 111 >(beta), which can deepen the understanding on the deformation behaviors of beta-Ti alloys. (C) 2021 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
关键词	Titanium alloys Twin Interfacial twin boundary phase Generalized planar fault energy First-principles
资助者	National Key R&D Program of China ; CAS Frontier Science Research Project ; SYNL Basic Frontier & Technological Innovation Research Project ; Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund
DOI	10.1016/j.jmst.2020.11.056
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[QYZDJ-SSW-JSC015] ; CAS Frontier Science Research Project[QYZDY-SSW-JSC027] ; SYNL Basic Frontier & Technological Innovation Research Project[L2019R10] ; Special Program for Applied Research on Super Computation of the NSFC Guangdong Joint Fund[U1501501]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000656122300015
出版者	JOURNAL MATER SCI TECHNOL
引用统计	被引频次：9[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/321006/160941
专题	中国科学院金属研究所
通讯作者	Ma, Shang-Yi
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Chen, Qiu-Jie,Ma, Shang-Yi,Wang, Shao-Qing. The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2021,80:163-170.
APA	Chen, Qiu-Jie,Ma, Shang-Yi,&Wang, Shao-Qing.(2021).The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,80,163-170.
MLA	Chen, Qiu-Jie,et al."The assisting and stabilizing role played by omega phase during the {112} < 111 >(beta) twinning in Ti-Mo alloys: A first-principles insight".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 80(2021):163-170.