Abstract

Carbon nanotubes (CNTs) have shown excellent thermal conduction capabilities and are ideal for thermal management in miniature nano-electronic devices and composite systems. As we go down the length scale, the intensive properties such as thermal conductivity are no longer a material property and the influence of size (length and diameter), defect, and strain state on the thermal conductivity becomes significant. An accurate understanding of the effect of these parameters on the thermal conductivity of nanotubes is necessary to understand and develop efficient nanotube systems with desired thermal characteristics. In this work, we examine the effect of size and strain states on the longitudinal thermal conductivity of single walled carbon nanotubes (SWCNT) using reverse non-equilibrium molecular dynamic simulation. A statistical approach involving parametric study is also adopted covering a wide range of nanotube lengths and diameters. This is followed by a comparative study of phonon density of states of nanotubes in pristine and altered configurations.

摘要

碳纳米管 (CNT) 表现出优异的导热能力，是微型纳米电子器件和复合系统中热管理的理想选择。随着长度尺度的降低，热导率等密集属性不再是材料属性，尺寸（长度和直径）、缺陷和应变状态对热导率的影响变得显着。准确理解这些参数对纳米管热导率的影响对于理解和开发具有所需热特性的高效纳米管系统是必要的。在这项工作中，我们使用反向非平衡分子动力学模拟研究了尺寸和应变状态对单壁碳纳米管 (SWCNT) 纵向热导率的影响。还采用了涉及参数研究的统计方法，涵盖了广泛的纳米管长度和直径。接下来是对原始和改变配置中纳米管状态的声子密度的比较研究。