Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study

doi:10.3390/ma17092165

IMR OpenIR

	Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study
	Sun, Tao 1; Bao, Qili 2; Gao, Yang 1; Li, Shujun 2; Li, Jianping 1; Wang, Hao 3
通讯作者	Sun, Tao(suntao@mail.neu.edu.cn) ; Wang, Hao(haowang7@usst.edu.cn)
	2024-05-01
发表期刊	MATERIALS
卷号	17 期号:9 页码:11
摘要	The manufacturing process for wrought Ti alloys with the hexagonal close-packed (HCP) structure introduces a complicated microstructure with abundant intra- and inter-grain boundaries, which greatly influence performance. In the hexagonal close-packed (HCP) structure, two types of grain boundaries are commonly observed between grains with similar to 90 degrees misorientation: the basal/prismatic boundary (BPB) and the coherent twin boundary (CTB). The mechanical response of the BPB and CTB under external loading was studied through molecular dynamic simulations of HCP-Ti. The results revealed that CTB undergoes transformation into BPB through the accumulation of twin boundary (TB) steps and subsequent emission of Shockley partial dislocations. When the total mismatch vector is close to the Burgers vector of a Shockley partial dislocation, BPB emits partial dislocations and further grows along the stacking faults. When a pair of CTBs are close to each other, severe boundary distortion occurs, facilitating the emission and absorption of partial dislocations, which further assists the CTB-BPB transformation. The present results thus help to explain the frequent observation of coexisting CTB and BPB in HCP alloys and further contribute to the understanding of their microstructure and property regulation.
关键词	titanium grain boundary dislocation plastic deformation molecular dynamics
资助者	National Natural Science Foundation of China
DOI	10.3390/ma17092165
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering ; Physics
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
WOS记录号	WOS:001220681200001
出版者	MDPI
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/186124
专题	中国科学院金属研究所
通讯作者	Sun, Tao; Wang, Hao
作者单位	1.Northeastern Univ, State Key Lab Rolling & Automat, Shenyang 110819, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 3.Univ Shanghai Sci & Technol, Interdisciplinary Ctr Addit Mfg ICAM, Sch Mat & Chem, Shanghai 200093, Peoples R China
推荐引用方式 GB/T 7714	Sun, Tao,Bao, Qili,Gao, Yang,et al. Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study[J]. MATERIALS,2024,17(9):11.
APA	Sun, Tao,Bao, Qili,Gao, Yang,Li, Shujun,Li, Jianping,&Wang, Hao.(2024).Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study.MATERIALS,17(9),11.
MLA	Sun, Tao,et al."Transformation of Coherent Twin Boundary into Basal-Prismatic Boundary in HCP-Ti: A Molecular Dynamics Study".MATERIALS 17.9(2024):11.