Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure

IMR OpenIR

	Defect clustering upon dislocation annihilation in alpha-titanium and alpha-zirconium with hexagonal close-packed structure
	H. Wang; D. S. Xu; R. Yang
	2014
发表期刊	Modelling and Simulation in Materials Science and Engineering
ISSN	0965-0393
卷号	22 期号:8
摘要	The 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.
部门归属	[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
关键词	Hcp 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
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73407
专题	中国科学院金属研究所
推荐引用方式 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).