Simulation of the interaction between two different 1/2 < 111 > screw dislocations in body-centered-cubic metal niobium

doi:10.1016/j.commatsci.2019.109503

IMR OpenIR

	Simulation of the interaction between two different 1/2 < 111 > screw dislocations in body-centered-cubic metal niobium
	Xia, Z. Y.1,2; Zhang, Z. J.1; Yan, J. X.1,2; Yang, J. B.1,2; Zhang, Z. F.1,2
通讯作者	Zhang, Z. J.(zjzhang@imr.ac.cn)
	2020-03-01
发表期刊	COMPUTATIONAL MATERIALS SCIENCE
ISSN	0927-0256
卷号	174 页码:8
摘要	Dislocation-dislocation interaction plays important roles in the strain hardening of crystalline materials. In this work, Molecular statics (MS) and dynamics (MD) simulations have been carried out to investigate the interaction of a screw-screw model which contains two non-parallel, non-coplanar 1/2 < 111 > screw dislocations in niobium single crystal with body-centered-cubic structure. By means of MS simulations, we investigated the relationship between the dislocation spacing and the external shear stress needed to intersect them, and found the result is quite close to that derivated on the basis of dislocation elasticity theory. Using MD simulations, we studied the interaction of the interactive model and found that the evolution of the dislocation configurations under the applied stress is as follows: the intersection of the two dislocations, reaction to form a [001] binary junction, formation of the edge dipole and final release of the two dislocations. Depending on whether the local cross-slip of the screw segment takes place, the dislocation with an edge dipole connected by the [001] junction may be depinned by pinching off a 1/2[111] dislocation loop or not. Analogous release processes have been established theoretically or deduced experimentally. In addition, the effect of temperature and strain-rate on the interaction process is presented.
关键词	Molecular statics and dynamics Dislocation-dislocation interaction Binary junction Dislocation dipole Body-centered-cubic
资助者	LiaoNing Revitalization Talents Program ; National Natural Science Foundation of China (NSFC)
DOI	10.1016/j.commatsci.2019.109503
收录类别	SCI
语种	英语
资助项目	LiaoNing Revitalization Talents Program[XLYC1808027] ; National Natural Science Foundation of China (NSFC)[51571198] ; National Natural Science Foundation of China (NSFC)[51771206] ; National Natural Science Foundation of China (NSFC)[51790482] ; National Natural Science Foundation of China (NSFC)[51871223]
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
WOS记录号	WOS:000509344200033
出版者	ELSEVIER
引用统计	被引频次：6[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/321006/137147
专题	中国科学院金属研究所
通讯作者	Zhang, Z. J.
作者单位	1.Chinese Acad Sci, Inst Met Res, Lab Fatigue & Fracture Mat, Shenyang 110016, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Hefei 230026, Peoples R China
推荐引用方式 GB/T 7714	Xia, Z. Y.,Zhang, Z. J.,Yan, J. X.,et al. Simulation of the interaction between two different 1/2 < 111 > screw dislocations in body-centered-cubic metal niobium[J]. COMPUTATIONAL MATERIALS SCIENCE,2020,174:8.
APA	Xia, Z. Y.,Zhang, Z. J.,Yan, J. X.,Yang, J. B.,&Zhang, Z. F..(2020).Simulation of the interaction between two different 1/2 < 111 > screw dislocations in body-centered-cubic metal niobium.COMPUTATIONAL MATERIALS SCIENCE,174,8.
MLA	Xia, Z. Y.,et al."Simulation of the interaction between two different 1/2 < 111 > screw dislocations in body-centered-cubic metal niobium".COMPUTATIONAL MATERIALS SCIENCE 174(2020):8.