首页> 外文会议>ASME international mechanical engineering congress and exposition;IMECE2011 >MECHANISM OF THERMAL CONDUCTIVITY REDUCTION FROM SUSPENDED TO SUPPORTED GRAPHENE: A QUANTITATIVE SPECTRAL ANALYSIS OF PHONON SCATTERING
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MECHANISM OF THERMAL CONDUCTIVITY REDUCTION FROM SUSPENDED TO SUPPORTED GRAPHENE: A QUANTITATIVE SPECTRAL ANALYSIS OF PHONON SCATTERING

机译:悬浮石墨烯到导热石墨烯的热导率降低机理:声子散射的定量光谱分析

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In this work, we perform molecular dynamics (MD) simulations together with phonon spectral analysis to predict the thermal conductivity of both suspended and supported graphene. We quantitatively address the relative importance of different types of phonon in thermal transport and explain why thermal conductivity is significantly reduced in supported graphene compared to that in suspended graphene. Within the framework of equilibrium MD, we perform spectral energy density analysis to obtain the phonon mean free path of each individual phonon mode. The contribution of each mode to thermal conductivity is then calculated and summed to obtain the lattice thennal conductivity in the temperature range 300-650 K. Our predicted values and temperature dependence for both suspended and supported graphene agree with experimental data well. In contrast to prior studies, our results suggest that the contribution from out-of-plane acoustic (ZA) branch to thermal conductivity is around 25-30% in suspended graphene at mom temperature. The thermal conductivity of supported graphene is predicted to be largely reduced, which is consistent with experimental observations. Such reduction is shown to be due to stronger scattering of all phonon modes rather than only the ZA mode in the presence of the substrate.
机译:在这项工作中,我们将分子动力学(MD)模拟与声子谱分析一起进行,以预测悬浮和支持的石墨烯的导热率。我们定量地解决了不同类型的声子在热传输中的相对重要性,并解释了为什么与悬浮石墨烯相比,在负载的石墨烯中,在负载的石墨烯中显着降低导热率。在均衡MD框架内,我们执行光谱能量密度分析以获得每个单独的声子模式的错位意味着自由路径。然后计算和总结每种模式对导热率的贡献,以在300-650k的温度范围内获得格子的晶格。我们的预测值和温度依赖于悬浮和支持的石墨烯与实验数据很好。与先前的研究相比,我们的结果表明,在MOM温度下,悬浮石墨烯的平面外声学(Za)分支的贡献约为25-30%。预计将负载石墨烯的导热率大大降低,这与实验观察一致。由于在存在基板存在下,这种减少是由于所有声子模式的散射而不是Za模式。

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