| 空位缺陷对单晶硅薄膜热导率影响的分子动力学模拟研究 |
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| 引用本文： | 张兴丽,孙兆伟. 空位缺陷对单晶硅薄膜热导率影响的分子动力学模拟研究[J]. 材料导报, 2011, 25(12): 1-3 |
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| 作者姓名： | 张兴丽 孙兆伟 |
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| 作者单位： | 哈尔滨工业大学卫星技术工程研究所,哈尔滨,150001 |
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| 基金项目： | 长江学者和创新团队发展计划资助项目 |
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| 摘 要： | 采用非平衡分子动力学(NEMD)方法及Tersoff势能函数模拟了微尺度下空位结构缺陷对单晶硅薄膜热导率的影响。结果表明,硅薄膜的热导率随空位浓度的增加而明显减小。当温度为300~700K时,随着温度的升高,空位浓度对热导率的影响以及同一空位浓度下温度对热导率的影响都逐渐减弱。
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| 关 键 词： | 空位 硅薄膜 分子动力学 热导率 |
Molecular Dynamics Simulation of Vacancy Defect Effects on the Thermal Conductivities of Silicon Thin Films |
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| ZHANG Xingli,SUN Zhaowei. Molecular Dynamics Simulation of Vacancy Defect Effects on the Thermal Conductivities of Silicon Thin Films[J]. Materials Review, 2011, 25(12): 1-3 |
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| Authors: | ZHANG Xingli SUN Zhaowei |
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| Affiliation: | ZHANG Xingli,SUN Zhaowei(Research Center of Satellite Technology,Harbin Institute Technology,Harbin 150001) |
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| Abstract: | Non-equilibrium molecular dynamics(NEMD) method and Tersoff potential energy function were used to simulate the vacancy structural defects effects on the lattice thermal conductivities of silicon thin films.The results of calculations demonstrated that the thermal conductivities of Si thin films decreased rapidly with vacancy concentration increasing.Vacancy defects decreased the sample thermal conductivity and the temperature dependence of thermal conductivity became less significantly as temperature incre... |
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| Keywords: | vacancy defects silicon thin films molecular dynamics thermal conductivity |
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