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Molecular dynamics simulation of the diffusion of self-interstitial atoms and interstitial loops under temperature gradient field in tungsten

文献类型：期刊论文

作者Fang, Jingzhong2; Liu, Lixia3; Gao, Ning4,5,6; Hu, Wangyu3; Gao, Fei1; Deng, Huiqiu2
刊名JOURNAL OF APPLIED PHYSICS
出版日期2020-08-14
卷号128期号:6页码:8
ISSN号0021-8979
DOI10.1063/5.0005505
通讯作者Gao, Ning(ning.gao@sdu.edu.cn) ; Deng, Huiqiu(hqdeng@hnu.edu.cn)
英文摘要Tungsten (W) and W-based alloys are potential candidates for next-generation fusion reactors, which would withstand both irradiation damages and heavy heat load. In this work, we employed the molecular dynamic method to simulate the behaviors of different radiation defects under the effect of the temperature gradient field, which is induced by heat load. The rotation of the 111 dumbbell and habit plane of 1/2 111 interstitial loops is analyzed in detail. The results show that these two behaviors are not significantly affected by the temperature gradient. Contrary to the thermal equilibrium state, temperature gradient results in the directional diffusion of 111 dumbbell and 1/2 111 interstitial loops in tungsten from the cold to the hot region. The energy barrier is also reduced in the temperature gradient field, which accelerates the defect diffusion. These results indicate that the accumulation of radiation defects in the high-temperature region is expected in temperature gradient fields, which would lead to more severe radiation damages and degradation of materials.
WOS关键词HE-COOLED DIVERTOR ; INTERATOMIC POTENTIALS ; MASS DIFFUSION ; CLUSTERS ; DEFECTS ; MOBILITY ; SORET ; DEMO
资助项目National MCF Energy R&D Program of China[2018YFE0308101] ; National Natural Science Foundation of China[51771073] ; National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[11375245] ; National Natural Science Foundation of China[91426301]
WOS研究方向Physics
语种英语
WOS记录号WOS:000562809100001
出版者AMER INST PHYSICS
资助机构National MCF Energy R&D Program of China ; National Natural Science Foundation of China
源URL[http://119.78.100.186/handle/113462/139888]  
专题中国科学院近代物理研究所
通讯作者Gao, Ning; Deng, Huiqiu
作者单位1.Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA
2.Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Peoples R China
3.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Peoples R China
4.ShanDong Univ, Inst Frontier & Interdisciplinary Sci, Qingdao 266237, Peoples R China
5.ShanDong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Qingdao 266237, Peoples R China
6.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
推荐引用方式
GB/T 7714		 Fang, Jingzhong,Liu, Lixia,Gao, Ning,et al. Molecular dynamics simulation of the diffusion of self-interstitial atoms and interstitial loops under temperature gradient field in tungsten[J]. JOURNAL OF APPLIED PHYSICS,2020,128(6):8.
APA Fang, Jingzhong,Liu, Lixia,Gao, Ning,Hu, Wangyu,Gao, Fei,&Deng, Huiqiu.(2020).Molecular dynamics simulation of the diffusion of self-interstitial atoms and interstitial loops under temperature gradient field in tungsten.JOURNAL OF APPLIED PHYSICS,128(6),8.
MLA Fang, Jingzhong,et al."Molecular dynamics simulation of the diffusion of self-interstitial atoms and interstitial loops under temperature gradient field in tungsten".JOURNAL OF APPLIED PHYSICS 128.6(2020):8.

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来源：近代物理研究所

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