Abstract With the rapid development of carbon nanotube (CNT)-based devices, thermal transport characteristics of CNT supported on substrate is to be urgently explored. Herein, we systematically study the thermal transport properties of supported single-wall CNT including length, temperature and substrate coupling strength dependence of thermal conductivity using molecular dynamics (MD) simulation. Interestingly, a theoretical model is proposed to describe the length dependent thermal conductivity of supported SWCNT, which matches well with our MD results. Moreover, the phenomenon of non-monotonic change of thermal conductivity with the variation of coupling coefficient is first discovered in supported CNT. The underlying mechanism is revealed by spectral energy density (SED), phonon transport and stress distribution analysis. Our study provides valuable insights towards the thermal dissipation performance of CNT-based electronic and photonic devices.

中文翻译：

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负载型碳纳米管的热传输特性：分子动力学模拟与理论分析

摘要 随着碳纳米管（CNT）基器件的快速发展，承载在衬底上的碳纳米管的热传输特性亟待探索。在此，我们使用分子动力学 (MD) 模拟系统地研究了支撑型单壁 CNT 的热传输特性，包括热导率的长度、温度和基板耦合强度依赖性。有趣的是，提出了一个理论模型来描述支持的 SWCNT 的长度相关热导率，这与我们的 MD 结果非常匹配。此外，首次在负载型碳纳米管中发现了热导率随耦合系数变化的非单调变化现象。通过光谱能量密度 (SED)、声子传输和应力分布分析揭示了潜在机制。