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Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study
  • ISSN号:1674-1056
  • 期刊名称:《中国物理B:英文版》
  • 时间:0
  • 分类:O6-041[理学—化学] TQ174.758[化学工程—陶瓷工业;化学工程—硅酸盐工业]
  • 作者机构:[1]ATF R&D, China Nuclear Power Technology Research Institute Co., Ltd, Shenzhen 518000, China, [2]Shanghai Institute of Applied Physics, Division of Nuclear Materials and Engineering, Chinese Academy of Sciences, Shanghai 201800, China, [3]Key Laboratory of Interracial Physics and Technology, Chinese Academy of Sciences, Shanghai 201800, China, [4]Department of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
  • 相关基金:Project supported by the Program of International S&T Cooperation,China(Grant No.2014DFG60230); the National Basic Research Program of China(Grant No.2010CB934504); Strategically Leading Program of the Chinese Academy of Sciences(Grant No.XDA02040100); the Shanghai Municipal Science and Technology Commission,China(Grant No.13ZR1448000); the National Natural Science Foundation of China(Grant Nos.91326105 and 21306220).
中文摘要:

我们在套住的力量上调查了谷物边界结构的效果他 N (N 是氦原子的数字) 在镍的谷物边界的缺点。结果建议到谷物边界飞机的一个空隙的氦原子的有约束力的精力在在飞机附近的所有地点之中是最强壮的。他 N 缺点比在谷物边界飞机是在镍体积的更多马厩。而且,到一个空缺的一个空隙的氦原子的有约束力的精力对一架谷物边界飞机比那强壮。在谷物边界之间的有约束力的力量并且他有缺点的 N 缺点增加缩放。而且,有约束力的力量他当缺点尺寸增加,到谷物边界的 N 缺点对另外的谷物边界变得比那弱得多。

英文摘要:

We investigated the effect of grain boundary structures on the trapping strength of HeN(N is the number of helium atoms) defects in the grain boundaries of nickel. The results suggest that the binding energy of an interstitial helium atom to the grain boundary plane is the strongest among all sites around the plane. The He_N defect is much more stable in nickel bulk than in the grain boundary plane. Besides, the binding energy of an interstitial helium atom to a vacancy is stronger than that to a grain boundary plane. The binding strength between the grain boundary and the HeN defect increases with the defect size. Moreover, the binding strength of the HeN defect to the Σ3(112)[110] grain boundary becomes much weaker than that to other grain boundaries as the defect size increases.

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期刊信息
  • 《中国物理B:英文版》
  • 中国科技核心期刊
  • 主管单位:中国科学院
  • 主办单位:中国物理学会和中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京 中关村 中国科学院物理研究所内
  • 邮编:100080
  • 邮箱:
  • 电话:010-82649026 82649519
  • 国际标准刊号:ISSN:1674-1056
  • 国内统一刊号:ISSN:11-5639/O4
  • 邮发代号:
  • 获奖情况:
  • 国内外数据库收录:
  • 被引量:406