Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron

doi:10.1016/j.jnucmat.2017.10.069

	Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron
	Gao, N.1; Perez, D.2; Lu, G. H.3; Wang, Z. G.1
刊名	JOURNAL OF NUCLEAR MATERIALS
	2018
卷号	498 页码:378-386
关键词	Absorption Symmetrical grain boundary Asymmetrical grain boundary Nano grain boundary Dislocation loop
ISSN号	0022-3115
DOI	10.1016/j.jnucmat.2017.10.069
英文摘要	Atomic simulations are used to investigate the interaction between nanoscale interstitial dislocation loops and grain boundaries (GBs), the subsequent evolution of the GBs' structures, and the resulting impact on mechanical properties, in BCC iron. The interaction between loops and GBs - Sigma 3{111} and Sigma 3{112} - is affected by the angle (theta) between the Burgers vector and the normal to the GB plane, as well as by the distribution of free volume (FV) and stress. Loops can be totally absorbed by Sigma 3{111} boundaries, while the interaction with Sigma 3{112} boundaries is found to change the Burgers vector and habit plane after absorption, but to otherwise leave the loop intact, resulting in selective absorption. When theta = 90 degrees, no absorption occurs in Sigma 3{112}. The stress accumulation induced by the absorption affects the local mechanical properties of GBs. In nanocrystalline iron sample, a similar phenomenon is also observed, resulting in rearrangement of GBs and grain growth. (C) 2017 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[11375242] ; National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[91426301] ; United States Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division ; U.S. DOE[DE-AC52-06NA25396]
WOS关键词	CENTERED-CUBIC METALS ; TWIN BOUNDARIES ; IN-SITU ; LATTICE DISLOCATIONS ; IRRADIATED IRON ; NANOINDENTATION ; MICROSTRUCTURE ; DEFORMATION ; SIMULATIONS ; ENERGIES
WOS研究方向	Materials Science ; Nuclear Science & Technology
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000418472300043
资助机构	National Natural Science Foundation of China ; United States Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division ; U.S. DOE
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/46171]
专题	中国科学院近代物理研究所
通讯作者	Gao, N.
作者单位	1.Inst Modern Phys, Lab Adv Nucl Mat, Lanzhou 730000, Gansu, Peoples R China 2.Los Alamos Natl Lab, Theoret Div T 1, POB 1663, Los Alamos, NM 87545 USA 3.Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China
推荐引用方式 GB/T 7714	Gao, N.,Perez, D.,Lu, G. H.,et al. Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron[J]. JOURNAL OF NUCLEAR MATERIALS,2018,498:378-386.
APA	Gao, N.,Perez, D.,Lu, G. H.,&Wang, Z. G..(2018).Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron.JOURNAL OF NUCLEAR MATERIALS,498,378-386.
MLA	Gao, N.,et al."Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron".JOURNAL OF NUCLEAR MATERIALS 498(2018):378-386.