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First principles study of helium trapping by solute elements in tungsten

文献类型：期刊论文

作者Luo, G. -N.3; You, Yu-Wei2; Liu, C. S.2; Fang, Q. F.2; Chen, Jun-Ling3; Wang, Zhiguang1; Wu, Xuebang2; Kong, Xiang-Shan2
刊名JOURNAL OF NUCLEAR MATERIALS
出版日期2014-12-01
卷号455页码:151-156
ISSN号0022-3115
DOI10.1016/j.jnucmat.2014.05.060
文献子类Article
英文摘要The behavior of helium in metals is particularly important in fusion research due to the He induced degradation of materials. A small amount of impurities introduced by alloying or transmutation reactions will interact with He and lead the microstructure and mechanical properties of materials to change. In this paper, we present the results of first-principles calculations on the interactions of He with impurities in tungsten (W), including the interstitials C, N, O, and substitutional 3d, 4d and 5d transition metals. We find that the trapping radii of interstitial atoms for He are almost twice larger than those of substitutional solutes. A preliminary evaluation of the effective trapping of He is also given when considering the detrapping of He at high temperature. The binding energies between the substitutional impurities and He increase linearly with the relative charge densities at the He occupation site, implying that He atoms easily aggregate at low charge density sites. The present results suggest that Ta might be chosen as a relatively suitable alloying element compared to other possible choices. (C) 2014 Elsevier B.V. All rights reserved.
WOS关键词SELF-INTERSTITIALS ; POINT-DEFECTS ; METALS ; ACCUMULATION ; IRRADIATION ; DYNAMICS ; ALLOYS ; ATOMS ; HE
资助项目Strategic Priority Research Program of Chinese Academy of Sciences[XDA03010303]
WOS研究方向Materials Science ; Nuclear Science & Technology
语种英语
WOS记录号WOS:000348003600031
出版者ELSEVIER SCIENCE BV
源URL[http://119.78.100.186/handle/113462/50013]  
专题近代物理研究所_先进核能材料研究室（ADS）
通讯作者Liu, C. S.
作者单位1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
3.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Luo, G. -N.,You, Yu-Wei,Liu, C. S.,et al. First principles study of helium trapping by solute elements in tungsten[J]. JOURNAL OF NUCLEAR MATERIALS,2014,455:151-156.
APA Luo, G. -N..,You, Yu-Wei.,Liu, C. S..,Fang, Q. F..,Chen, Jun-Ling.,...&Kong, Xiang-Shan.(2014).First principles study of helium trapping by solute elements in tungsten.JOURNAL OF NUCLEAR MATERIALS,455,151-156.
MLA Luo, G. -N.,et al."First principles study of helium trapping by solute elements in tungsten".JOURNAL OF NUCLEAR MATERIALS 455(2014):151-156.

入库方式： OAI收割

来源：近代物理研究所

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