| 用分子动力学方法模拟零温下铜及其掺银或铋的晶界结构 |
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| 引用本文： | 周富信,陈致英,吴希俊,胡斌. 用分子动力学方法模拟零温下铜及其掺银或铋的晶界结构[J]. 力学学报, 1990, 22(1): 106-109. DOI: 10.6052/0459-1879-1990-1-1995-919 |
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| 作者姓名： | 周富信 陈致英 吴希俊 胡斌 |
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| 作者单位： | 中国科学院力学所非线性开放实验室 |
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| 基金项目： | 中国科学院重大科研项目 |
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| 摘 要： | 本文采用五参数对势和固定体积的假定,应用分子动力学方法模拟了零温下纯Cu、Cu-Ag和Cu-Bi合金的晶界弛豫结构,计算结果表明,在上述情况下,原子分布在平行晶界面的两个方向是周期性的,在垂直晶界面的方向是镜面对称的。两种合金弛豫结构与纯铜的结构差别不大,铋原子周围的铜原子离铋原子较近,而银原子周围的铜原子离银原子较远。
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| 关 键 词： | 铜 合金 晶界 结构 分子动力学法 |
MOLECULAR DYNAMICS SIMULATIONS OF GRAIN BOUNDARY STRUCTURES AT 0°K IN COPPER WITH SUBSTITUTIONAL IMPURITIES |
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| Zhou Fuxin,Chen Zhiying. MOLECULAR DYNAMICS SIMULATIONS OF GRAIN BOUNDARY STRUCTURES AT 0°K IN COPPER WITH SUBSTITUTIONAL IMPURITIES[J]. chinese journal of theoretical and applied mechanics, 1990, 22(1): 106-109. DOI: 10.6052/0459-1879-1990-1-1995-919 |
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| Authors: | Zhou Fuxin Chen Zhiying |
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| Abstract: | The 0°K relaxed structures of grain boundaries in Cu and its alloys (Cu-Ag, Cu-Bi) were simulated with molecular dynamics method by using a five-parameter potential and constant volume assumption.In these cases, the results showed that the atomic distribution was periodic in the two directions paralled to the grain boundary and it was mirror-symmetric in the direction perpendicular to the boundary. The difference between relaxed structures of Cu and its alloys was small, nevertheless, the host atoms were cl... |
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| Keywords: | molecular dynamics grain boundary copper alloy |
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