| 非平衡分子动力学模拟晶体薄膜热导率 |
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| 引用本文： | 邵宝东,孙兆伟,王丽凤.非平衡分子动力学模拟晶体薄膜热导率[J].哈尔滨工业大学学报,2007,39(7):1028-1030,1035. |
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| 作者姓名： | 邵宝东 孙兆伟 王丽凤 |
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| 作者单位： | 哈尔滨工业大学,卫星技术研究所,哈尔滨,150080;昆明理工大学,建筑工程学院,昆明,650093;哈尔滨工业大学,卫星技术研究所,哈尔滨,150080;昆明理工大学,建筑工程学院,昆明,650093 |
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| 摘 要： | 利用非平衡分子动力学(NEMD)模拟方法计算了氩晶体薄膜的热导率.当薄膜厚度达到微纳米量级时,热传导过程产生非Fourier效应,计算热导率的Fourier公式已不再适用,故采用松弛时间近似的Catta-neo方程求解热导率.计算结果表明,当薄膜尺寸达到微纳米量级时,热导率是温度的非线性函数.
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| 关 键 词： | 非平衡分子动力学 热导率 晶体薄膜 非Fourier效应 |
| 文章编号： | 0367-6234（2007）07-1028-03 |
| 修稿时间： | 2005-05-10 |
Nonequilibrium molecular dynamics simulation of the thermal conductivity of crystals film |
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| SHAO Bao-dong,SUN Zhao-wei,WANG Li-feng.Nonequilibrium molecular dynamics simulation of the thermal conductivity of crystals film[J].Journal of Harbin Institute of Technology,2007,39(7):1028-1030,1035. |
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| Authors: | SHAO Bao-dong SUN Zhao-wei WANG Li-feng |
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| Affiliation: | 1.Research Institute of Satellite Technology;Harbin Institute of Technology;Harbin 150080;China;2.Dept.of Engineering Mechanics;Kunming University of Science and Technology;Kunming 650093 |
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| Abstract: | The thermal conductivity of Ar crystals film is calculated by using non-equilibrium molecular dynamics simulation method.When the thickness of film is less than micro-nanometer,non-Fourier effects will appear in heat conduction where the Fourier formulation is not applicable for calculating thermal conductivity,so the Cattaneo equation based on relaxation time approximation is used to calculate the thermal conductivity.The results show that the thermal conductivity is the non-linear function of temperature ... |
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| Keywords: | Non-equilibrium molecular dynamics Thermal conductivity Crystals film Non-Fourier effect |
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