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Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten

文献类型：期刊论文

作者Li, Linyu3; Wang, Hao2; Xu, Ke3; Li, Bingchen3; Jin, Shuo3; Li, Xiao-Chun1; Shu, Xiaolin3; Liang, Linyun3; Lu, Guang-Hong3
刊名METALS
出版日期2022-03-01
卷号12
关键词atomic simulations dislocation loop vacancy defect tungsten
DOI10.3390/met12030368
通讯作者Liang, Linyun(lyliang@buaa.edu.cn) ; Lu, Guang-Hong(lgh@buaa.edu.cn)
英文摘要Tungsten (W) is considered to be the most promising plasma-facing material in fusion reactors. During their service, severe irradiation conditions create plenty of point defects in W, which can significantly degrade their performance. In this work, we first employ the molecular static simulations to investigate the interaction between a 1/2[111] dislocation loop and a vacancy-type defect including a vacancy, di-vacancy, and vacancy cluster in W. The distributions of the binding energies of a 1/2[111] interstitial and vacancy dislocation loop to a vacancy along different directions at 0 K are obtained, which are validated by using the elasticity theory. The calculated distributions of the binding energies of a 1/2[111] interstitial dislocation loop to a di-vacancy and a vacancy cluster, showing a similar behavior to the case of a vacancy. Furthermore, we use the molecular dynamics simulation to study the effect of a vacancy cluster on the mobility of the 1/2[111] interstitial dislocation loop. The interaction is closely related to the temperature and their relative positions. A vacancy cluster can attract the 1/2[111] interstitial dislocation loop and pin it at low temperatures. At high temperatures, the 1/2[111] interstitial dislocation loop can move randomly. These results will help us to understand the essence of the interaction behaviors between the dislocation loop and a vacancy-type defect and provide necessary parameters for mesoscopic scale simulations.
WOS关键词GLISSILE INTERSTITIAL CLUSTERS ; EDGE DISLOCATIONS ; DAMAGE ; STABILITY ; LEVEL ; VOIDS ; IRON
资助项目National Natural Science Foundation of China[51871007] ; National Natural Science Foundation of China[12075021] ; National Natural Science Foundation of China[12075023] ; National MCF Energy R&D Program of China[2018YFE0308103]
WOS研究方向Materials Science ; Metallurgy & Metallurgical Engineering
语种英语
出版者MDPI
WOS记录号WOS:000774164100001
资助机构National Natural Science Foundation of China ; National MCF Energy R&D Program of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/128243]  
专题中国科学院合肥物质科学研究院
通讯作者Liang, Linyun; Lu, Guang-Hong
作者单位1.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China
2.Southwestern Inst Phys, Ctr Fus Sci, Chengdu 610041, Peoples R China
3.Beihang Univ, Sch Phys, Beijing 100191, Peoples R China
推荐引用方式
GB/T 7714		 Li, Linyu,Wang, Hao,Xu, Ke,et al. Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten[J]. METALS,2022,12.
APA Li, Linyu.,Wang, Hao.,Xu, Ke.,Li, Bingchen.,Jin, Shuo.,...&Lu, Guang-Hong.(2022).Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten.METALS,12.
MLA Li, Linyu,et al."Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten".METALS 12(2022).

入库方式： OAI收割

来源：合肥物质科学研究院

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