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氦泡对铝的弹性性质的影响

王海燕 祝文军 宋振飞 刘绍军 陈向荣 贺红亮

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氦泡对铝的弹性性质的影响

王海燕, 祝文军, 宋振飞, 刘绍军, 陈向荣, 贺红亮
cstr: 32037.14.aps.57.3703

The influence of helium bubble on the elastic properties of aluminum

Wang Hai-Yan, Zhu Wen-Jun, Song Zhen-Fei, Liu Shao-Jun, Chen Xiang-Rong, He Hong-Liang
cstr: 32037.14.aps.57.3703
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  • 主要利用分子动力学方法模拟计算了含氦泡的铝的弹性性质,首先,应用第一性原理的方法计算了Al-He的相互作用势.其次,从两个不同的方面研究了氦泡对铝弹性常数的影响,一是不同的氦泡尺寸(直径分别是16, 20, 25, 30和3.5nm),二是不同的氦泡压力(即固定氦泡大小,氦泡内氦原子的个数与空位的比分别大约是5%,15%,45% 和85%).结果表明弹性常数随着氦泡半径的增大而减小,对于固定大小的氦泡,随着氦泡内的压力变化弹性常数基本保持恒定.最后通过建立弹性复合体模型,得到的解析解定性上解释了氦泡的大小以及内压对铝的弹性常数的影响,与分子动力学模拟结果吻合.
    The elastic properties of helium-bubble embedded aluminum have been investigated by molecular dynamics simulation. First, the interaction potentials between aluminum and helium atoms are parametrized with the help of first-principle method. Secondly, we studied the influence of helium bubble on the elastic properties of aluminum from the following two aspects: the size of helium bubble (the diameters being 16, 20, 25, 30 and 3.5nm, respectively) and the internal pressure of helium bubble (the ratios of the number of helium atoms to the vacancies being about 5%, 15%, 45% and 85%, respectively). The results show that the elastic constants c11, c12 and c44 decrease with increasing diameter of helium bubble, however, for a fixed size they are almost independent of the internal pressure of helium bubble. Using the elastic composite system model, the influence of the size and internal pressure of helium bubble on aluminum is explained qualitatively based on the analytical results and is consistent with our calculated results.
    • 基金项目: 冲击波物理与爆轰物理重点国防科技实验室基金(批准号:9140C67010106ZS75),国家自然科学基金NSAF联合基金重点项目(批准号:10476027和10576004)和国家自然科学基金重点项目(批准号:60436010)资助的课题.
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  • 文章访问数:  10496
  • PDF下载量:  1222
  • 被引次数: 0
出版历程
  • 收稿日期:  2007-10-09
  • 修回日期:  2007-11-14
  • 刊出日期:  2008-03-05

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