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Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure
H. Wang; D. S. Xu; R. Yang
2014
Source PublicationModelling and Simulation in Materials Science and Engineering
ISSN0965-0393
Volume22Issue:8
AbstractThe annihilation of vacancy-and interstitial-type dislocation dipoles is investigated employing atomistic simulations and metadynamics in hexagonal close-packed (hcp) metals a-titanium and a-zirconium, with a variety of dipole heights, orientations and annealing temperatures. Molecular dynamics simulations reveal that depending on the dipole type, height, orientation, etc., dipolar configurations transform into specific reconstructed configurations at low temperature, while vacancy or interstitial clustering occurs at high temperature. The time of clustering and the lifetime of the resulting clusters are estimated through the search of the lowest-energy paths. Compared with previous knowledge on face-centered cubic (fcc) metals, the general processes of dislocation annihilation and point defect clustering are similar, however, due to the varied lattice symmetry: (1) the atomic structures of the reconstructed configurations at low temperature and the clusters at high temperature in hcp systems are different from those in fcc systems; and (2) in hcp systems the clustering process is shortened and the stability of the resulting clusters is enhanced compared with fcc systems.
description.department[wang, h. ; xu, d. s. ; yang, r.] chinese acad sci, inst met res, shenyang 110016, peoples r china. ; wang, h (reprint author), chinese acad sci, inst met res, shenyang 110016, peoples r china. ; haowang@imr.ac.cn
KeywordHcp Metal Dislocation Point Defect Clustering Atomistic Simulation Molecular-dynamics Displacement Cascades Atomistic Simulations Temperature-dependence Plastic-deformation Screw Dislocations Pure Titanium Fcc Metals Hcp Metals Irradiation
URL查看原文
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/73407
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
H. Wang,D. S. Xu,R. Yang. Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure[J]. Modelling and Simulation in Materials Science and Engineering,2014,22(8).
APA H. Wang,D. S. Xu,&R. Yang.(2014).Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure.Modelling and Simulation in Materials Science and Engineering,22(8).
MLA H. Wang,et al."Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure".Modelling and Simulation in Materials Science and Engineering 22.8(2014).
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