Duong Hai M, Papavassiliou Dimitrios V, Mullen Kieran J, Maruyama Shigeo
Department of Mechanical Engineering, The University of Tokyo, Japan.
Nanotechnology. 2008 Feb 13;19(6):065702. doi: 10.1088/0957-4484/19/6/065702. Epub 2008 Jan 23.
A computational model was developed to study the thermal conductivity of single-walled carbon nanotube (SWNT)-polymer composites. A random walk simulation was used to model the effect of interfacial resistance on the heat flow in different orientations of SWNTs dispersed in the polymers. The simulation is a modification of a previous model taking into account the numerically determined thermal equilibrium factor between the SWNTs and the composite matrix material. The simulation results agreed well with reported experimental data for epoxy and polymethyl methacrylate (PMMA) composites. The effects of the SWNT orientation, weight fraction and thermal boundary resistance on the effective conductivity of composites were quantified. The present model is a useful tool for the prediction of the thermal conductivity within a wide range of volume fractions of the SWNTs, so long as the SWNTs are not in contact with each other. The developed model can be applied to other polymers and solid materials, possibly even metals.
开发了一种计算模型来研究单壁碳纳米管（SWNT）-聚合物复合材料的热导率。采用随机游走模拟来模拟界面电阻对分散在聚合物中的不同取向SWNTs热流的影响。该模拟是对先前模型的改进，考虑了SWNTs与复合基体材料之间通过数值确定的热平衡因子。模拟结果与报道的环氧树脂和聚甲基丙烯酸甲酯（PMMA）复合材料的实验数据吻合良好。量化了SWNT取向、重量分数和热边界电阻对复合材料有效电导率的影响。只要SWNTs不相互接触，本模型就是预测SWNTs广泛体积分数范围内热导率的有用工具。所开发的模型可应用于其他聚合物和固体材料，甚至可能是金属。
