| 纳米铜晶胞体积弹性模量变化规律的分子动力学模拟 |
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| 引用本文： | 李冠楠,苗恩铭,费业泰.纳米铜晶胞体积弹性模量变化规律的分子动力学模拟[J].农业机械学报,2009,40(12):228-232. |
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| 作者姓名： | 李冠楠 苗恩铭 费业泰 |
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| 作者单位： | 合肥工业大学仪器科学与光电工程学院,合肥,230009 |
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| 基金项目： | 国家自然科学基金资助项目，国家科技重大专项 |
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| 摘 要： | 用分子动力学的方法详细模拟纳米铜晶胞随温度与压强变化的规律,得到了铜晶胞体积弹性模量突变的敏感压强点.模拟结果表明:单晶铜的在压强小于75GPa时体积弹性模量随温度升高而降低,随压强增大而增大;在压强大于75GPa时,体积弹性模量随温度升高而增大,随压强增大而减小.
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| 关 键 词： | 分子动力学 纳米铜晶胞 体积弹性模量 |
Simulation for Variation Relationship of Volume-elasticity Modulus of Crystal Cu with Pressure and Temperature |
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| Li Guannan,Miao Enming,Fei Yetai.Simulation for Variation Relationship of Volume-elasticity Modulus of Crystal Cu with Pressure and Temperature[J].Transactions of the Chinese Society of Agricultural Machinery,2009,40(12):228-232. |
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| Authors: | Li Guannan Miao Enming Fei Yetai |
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| Abstract: | The variation relationship of volume-elasticity modulus of crystal Cu with pressure and temperature was analyzed by molecular dynamics simulation, to gain a sensitive point of pressure value. The results shows the volume-elasticity modulus of crystal Cu decreases as temperature rises, but increases as pressure rises before the point 75GPa;whereas, exceeding the point, the volume-elasticity modulus of crystal Cu increases as temperature rises, but decrease as pressure rises. |
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| Keywords: | Molecular dynamics Nano crystal Cu Volume-elasticity modulus |
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