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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
Corresponding AuthorZhang, Z. J.(zjzhang@imr.ac.cn)
2020-03-01
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
ISSN0927-0256
Volume174Pages:8
AbstractDislocation-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.
KeywordMolecular statics and dynamics Dislocation-dislocation interaction Binary junction Dislocation dipole Body-centered-cubic
Funding OrganizationLiaoNing Revitalization Talents Program ; National Natural Science Foundation of China (NSFC)
DOI10.1016/j.commatsci.2019.109503
Indexed BySCI
Language英语
Funding ProjectLiaoNing 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 Research AreaMaterials Science
WOS SubjectMaterials Science, Multidisciplinary
WOS IDWOS:000509344200033
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/137147
Collection中国科学院金属研究所
Corresponding AuthorZhang, Z. J.
Affiliation1.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
Recommended Citation
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.
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