| 3He的产生对钪氚化物性能影响的第一性原理研究 |
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| 引用本文： | 陈汝承,叶立军.3He的产生对钪氚化物性能影响的第一性原理研究[J].达县师范高等专科学校学报,2011,21(2):34-36. |
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| 作者姓名： | 陈汝承 叶立军 |
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| 作者单位： | 电子科技大学应用物理系,四川成都,610054 |
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| 基金项目： | 国家自然科学基金-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： | 采用第一性原理对T衰变成3H3后，钪氚化物体系的结合能和弹性模量进行了计算．计算结果表明，SeT2中衰变形成的^3He将占据体积较小的四面体间隙；^3He的产生导致最近邻的T原子与Sc原子的成键作用增强，这可能是氚化物时效后平衡压降低的原因．分析了^3He产生后，钪氚化物体系体模量下降的原因．
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| 关 键 词： | 钪氚化物 第一性原理 体模量 结合能 |
Effect of helium production on properties of scandium tritide:First-principles study |
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| CHEN Ru-cheng,YE Li-jun.Effect of helium production on properties of scandium tritide:First-principles study[J].Journal of Daxian Teachers College,2011,21(2):34-36. |
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| Authors: | CHEN Ru-cheng YE Li-jun |
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| Institution: | CHEN Ru-cheng,YE Li-jun(Applied Physics Department of Electronic Science and Technology University,Chengdu Sichuan 610054,China) |
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| Abstract: | The first-principles are used to study the effects of helium,producing from the radioactive decay of tritium,on the binding energy and elastic constant of ScT2.The results show that the decay helium prefers to occupy the tetrahedral interstitial site.The produce of helium enhances the bonding interaction of a Sc atom with its nearest T atom,which may account for the decreasing of the tritium desorption plateau pressure.The decrease of the bulk modulus of ScT2 due to the radioactive decay of tritium has been... |
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| Keywords: | Scandium tritide first principles bulk modulus binding energy |
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