,Trapping Behavior of He in Ti Revisited by ab initio Calculations

来源 :中国物理快报(英文版) | 被引量 : 0次 | 上传用户:yykk110
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
We report a detailed ab initio study of the trapping behavior of interstitial helium atoms (IHAs) in hcp Ti.The tetrahedral interstitial site for one He is confirmed to be the most stable IHA configuration,but the most favorable interstitial site comprises two adjacent octahedral sites for two helium atoms.The octahedral IHA can trap another IHA regardless of the site where it is initially located,whereas the tetrahedral IHA cannot.Hybridization among the different states is responsible for the stable order,which has significant implications for He clustering and bubble nucleation that can affect material performance in future fusion reactors.These results provide the basis for the development of improved atomistic models.
其他文献
本研究借助英语语料库,通过分析拟容器结构频率与相应的a(n)N_1 of N_2结构表量频率之间的关系,以及a(n)N_1 of N_2结构的表量频率与其左中心指称频率之间的关系,发现添加在
The transport coefficients of high temperature sulfur hexafluoride (SF6) plasmas in local thermodynamic equilibrium are calculated using collision integrals der
期刊
An amorphous magnetic material system (Co20Fe47Ta20B13)1-xOx is fabricated by magneto sputtering.Three stages of magnetization behavior exist when oxygen conten
期刊
Over the past few years,a great deal of nonlinear quantum optical phenomena based on atomic coherence and quantum interference have been studied in an atomic re
期刊
Owing to their superior intrinsic properties,GaNbased materials are very promising semiconductor materials for applications in optoelectronic devices,as well as
期刊
Financial market dynamics are rigorously studied via the exact generalized Langevin equation.Assuming market Brownian self-similarity,the market retu rate memor
期刊
  XM35铣刨机符合市政养护机械多功能小型化的市场需求。具有外形尺寸小、机动灵活、多功能、可靠性高的特点。可实现开挖坑槽、铣边、沿井盖铣刨、液压镐破碎等功能。本文
We prepared one-unit-cell (1-UC) thick FeSe films on insulating SrTiO3 s u bstrates with non-superconducting FeTe protection layers by molecular beam epitaxy fo
期刊
The mechanical properties of formamidinium halide perovskites FABX3 (FA=CH(NH2)2;B=Pb,Sn;X=Br,I) are systematically investigated using first-principles calculat
期刊
 随着改革的深化,特别是现代企业制度的建立和完善,对职工持股问题的研究,已不仅仅是一个理论问题。本文针对几年来各地的实践经验以及出现的新情况、新问题,整理出几个问题加以