Simulation research on the conductivity of polymer composites filled with carbon nanotubes

Journal Information

J. Hefei Univ. Tech. (Nat. Sci.), May.2023, Vol.46 No.5: 604-608, 626

DOI: 10.3969/j.issn.1003-5060.2023.05.005

Authors

SUN Xuehu $ ^{1} $, PAN Tingting $ ^{1} $, LU Baisheng $ ^{1} $, LIU Caixia $ ^{2} $, LU Yingchun $ ^{1} $

(1. School of Microelectronics, Hefei University of Technology, Hefei 230601, China; 2. School of Physics, Hefei University of Technology, Hefei 230601, China)

Abstract and Keywords

Abstract: In this paper, the three-dimensional model of polymer composites filled with carbon nanotubes (CNTs) is constructed by Monte Carlo method. According to the distribution of CNTs in the three-dimensional model, the inter-particle distance matrix of all CNTs is established. Combined with the conductive mechanism of polymer composites filled with CNTs, the distance matrix is transformed into the inter-particle resistance matrix. The equivalent resistance calculation method of large pure resistance network is used to solve the resistance matrix and the conductivity of composites is obtained. The simulation results are consistent with the experimental data. The conductivity simulation model is used to study the effect of aspect ratio on the conductivity. It shows that the conductivity of composites increases with the increase of aspect ratio under the same volume fraction. The simulation model established in this paper can predict the conductivity of polymer composites filled with CNTs under different parameters, and provide a theoretical reference for the design of high-performance polymer composites filled with CNTs.

Keywords: carbon nanotubes(CNTs); polymer composites; Monte Carlo method; three-dimensional model; conductivity simulation

作者信息

孙雪虎 $ ^{1} $，潘亭亭 $ ^{1} $，卢柏声 $ ^{1} $，刘彩霞 $ ^{2} $，鲁迅春 $ ^{1} $

(1. 合肥工业大学微电子学院, 安徽合肥 230601; 2. 合肥工业大学物理学院, 安徽合肥 230601)

摘要和关键词

摘要: 文章构建碳纳米管填充聚合物复合材料电导率仿真模型, 采用蒙特卡洛方法实现碳纳米管填充聚合物复合材料三维建模, 根据碳纳米管分布状态建立碳纳米管间距离矩阵, 结合碳纳米管填充聚合物复合材料导电机理生成碳纳米管间电阻矩阵, 应用大型纯电阻网络等效电阻计算方法得到复合材料电导率仿真结果, 对比仿真值与实验数据, 两者高度一致。借助电导率仿真模型研究碳纳米管长度和直径对复合材料电导率的影响, 碳纳米管体积分数不变时, 电导率随长径比增加而增大。该文建立的仿真模型可以预测不同参数碳纳米管填充聚合物复合材料电导率, 为设计高性能的碳纳米管填充聚合物复合材料提供理论参考。

关键词: 碳纳米管；聚合物复合材料；蒙特卡洛方法；三维模型；电导率仿真

Funding

国家自然科学基金资助项目（61673369）

合肥工业大学学报(自然科学版)

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