| 金属中氦缺陷的第一性原理研究 |
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| 引用本文： | 范开敏,彭述明,龙兴贵,高飞.金属中氦缺陷的第一性原理研究[J].达县师范高等专科学校学报,2011,21(2):31-33. |
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| 作者姓名： | 范开敏 彭述明 龙兴贵 高飞 |
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| 作者单位： | 范开敏,FAN Kai-min(电子科技大学应用物理系,四川成都,610054;四川文理学院物理与工程技术系,四川达州,635000);彭述明,龙兴贵,PENG Shu-ming,LONG Xing-gui(中国工程物理研究院核物理与化学研究所,四川绵阳,610003);高飞,GAO Fei(Pacifc Northwest National Laboratory,P.O.Box 999,Richland,Washington 99352,USA) |
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| 基金项目： | 国家自然科学基金委员会与中国工程物理研究院联合基金，中央高校基本科研业务费专项资金 |
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| 摘 要： | 采用第一性原理方法研究了面心立方fcc、体心立方bcc和六方密堆hcp结构金属中氦缺陷，计算分析了三种晶体结构金属中四面体间隙位置、八面体间隙位置和替代位置氦原子的形成能．并比较了fcc、bcc和hcp结构中不同位置氦点缺陷的稳定性．
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| 关 键 词： | 第一性原理 氦缺陷 形成能 |
First-principles Study on He Defects in Metals |
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| FAN Kai-min,PENG Shu-ming,LONG Xing-gui,GAO Fei.First-principles Study on He Defects in Metals[J].Journal of Daxian Teachers College,2011,21(2):31-33. |
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| Authors: | FAN Kai-min PENG Shu-ming LONG Xing-gui GAO Fei |
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| Institution: | FAN Kai-min1,2,PENG Shu-ming2,LONG Xing-gui3,GAO Fei4(1.Applied Physics Department of Electronic Science and Technology University,Chengdu Sichuan 610054,China,2.Physics and Engineering Technology Department of Sichuan University of Arts and Science,Dazhou Sichuan 635000,3.Nuclear Physics and Chemistry Institute of China Engineering Physics Academy,Mianyang Sichuan 621900,4.Pacific Northwest National Laboratory,P.O.Box 999,Richland,Washington 99352,USA) |
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| Abstract: | In the present work,the first-principles are used to systematically study the He defects in face-centred cubic(fcc),body-centred cubic(bcc) and hexagonal close-packed(hcp) metals.The formation energies of He defects at the tetrahedral,octahedral interstitial positions and the substitutional positions are calculated.The stability of the He defects in fcc,bcc and hcp metals also has been discussed. |
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| Keywords: | First-principles He defects formation energies |
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