Abstract

A hierarchical multiscale modeling for analyzing the electromechanical behaviors of carbon nanotube/polymer nanocomposites is presented, considering the matrix damage as well as interfacial debonding between CNTs and the polymer matrix. Fundamental parameters from molecular dynamics simulations, such as the mechanical properties of polymers and the interfacial characteristics between CNTs and polymer, are upscaled to the continuum scale. The results of finite element analysis show that the stress and resistivity distributions significantly depend on the type of polymer. Additionally, we establish a new approach to characterize the matrix damage behavior of each polymer based on the scale bridging method.

摘要

提出了一种用于分析碳纳米管/聚合物纳米复合材料的机电行为的分层多尺度建模，考虑了基体损伤以及 CNT 和聚合物基体之间的界面脱粘。来自分子动力学模拟的基本参数，例如聚合物的机械性能和 CNT 与聚合物之间的界面特性，被放大到连续尺度。有限元分析结果表明，应力和电阻率分布显着取决于聚合物的类型。此外，我们建立了一种基于尺度桥接方法来表征每种聚合物的基体损伤行为的新方法。