Abstract The importance of the thermal conductivity of engineering plastics reinforced with nanofillers is increasing in various industries, and the need for a model with which to make reliable predictions continues. We propose a micromechanics-based multiscale model that considers multi-shaped nanofillers to predict the thermal conductivity of composites. The distribution of each phase is assumed to be probabilistically distributed, and the Kapitza resistance at the interface between the filler and matrix was calculated by means of a molecular dynamics simulation. A polybutylene terephthalate (PBT) composite system embedded with multi-walled carbon nanotubes (MWCNTs) was used in a specific simulation. Composites containing MWCNTs of different lengths were also fabricated to obtain appropriate experimental results for the verification of the proposed model. Fourier-transform infrared (FT-IR) spectroscopy, Raman spectroscopy, and field-emission scanning microscopy (FE-SEM) were carried out to confirm that the selected materials could suitably be compared. Finally, the proposed model was applied to the finite element method to examine the heat flux of the composites according to the constitutive properties, and their results were compared to the experimental results.

中文翻译：

---

含有具有界面特性的皱缩碳纳米填料的纳米复合材料的热导率的多尺度预测

摘要 纳米填料增强工程塑料的热导率在各个行业中的重要性日益增加，并且需要一个模型来进行可靠的预测。我们提出了一个基于微观力学的多尺度模型，该模型考虑了多形状的纳米填料来预测复合材料的热导率。假设各相的分布呈概率分布，并通过分子动力学模拟计算填料与基体界面处的Kapitza电阻。在特定模拟中使用了嵌入多壁碳纳米管 (MWCNT) 的聚对苯二甲酸丁二醇酯 (PBT) 复合材料系统。还制造了含有不同长度 MWCNT 的复合材料，以获得适当的实验结果，以验证所提出的模型。进行傅里叶变换红外 (FT-IR) 光谱、拉曼光谱和场发射扫描显微镜 (FE-SEM) 以确认所选材料可以进行适当比较。最后，将所提出的模型应用于有限元方法，根据本构特性检查复合材料的热通量，并将其结果与实验结果进行比较。