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Carbon nanotubes thermal conductivity analysis using molecular dynamics simulations

机译:碳纳米管导热系数的分子动力学模拟分析

摘要

Non-equilibrium molecular dynamics simulations are used to determine the thermal conductivities of (5,5) single wall carbon nanotubes. By fixing the temperatures of opposing ends of an armchair single wall carbon nanotube with a Nose-Hoover thermostat, the length dependence of thermal conductivities of single wall carbon nanotubes were studied in vacuum. Specifically, single wall carbon nanotubes of 12.3 nm, 24.6 nm, and 36.9 nm lengths with varying fixed end temperatures were analyzed to determine thermal conductivities. In addition, the fixed end temperature lengths of single wall carbon nanotubes were varied to see convergence of the temperature profiles.The equivalent thermal resistance of single wall carbon nanotube bundle in water was modeled using the one dimensional heat conduction equation. The preliminary effective thermal conductivity of the system was calculated with different nanotube structures for a length ranging from 500 nm to 3000 nm to observe effective thermal conductivity variations. The effective thermal conductivity increases when the volume fraction of SWNTs and the nanotube length increase.
机译:非平衡分子动力学模拟用于确定(5,5)单壁碳纳米管的热导率。通过用Nose-Hoover恒温器固定扶手椅式单壁碳纳米管相对端的温度,在真空中研究了单壁碳纳米管的热导率与长度的关系。具体而言,分析了具有固定末端温度变化的长度为12.3 nm,24.6 nm和36.9 nm的单壁碳纳米管,以确定热导率。此外,改变单壁碳纳米管的固定末端温度长度以观察温度曲线的收敛性。使用一维热传导方程对单壁碳纳米管束在水中的等效热阻进行建模。使用长度为500 nm至3000 nm的不同纳米管结构计算系统的初始有效导热系数,以观察有效导热系数的变化。当SWNT的体积分数和纳米管长度增加时,有效导热率增加。

著录项

  • 作者

    Toprak Kasim;

  • 作者单位
  • 年度 2010
  • 总页数
  • 原文格式 PDF
  • 正文语种 eng
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