A coarse-grained model for the elastic properties of cross linked short carbon nanotube/polymer composites

TL;DR

This paper develops a coarse-grained model to predict the elastic properties of cross-linked carbon nanotube/polymer composites, highlighting the impact of cross-linking and nanotube distribution on mechanical performance.

Contribution

It introduces a novel coarse-grained modeling approach that captures interactions between polymer chains and nanotubes, improving prediction accuracy for composite elastic properties.

Findings

Cross-linking significantly enhances elastic properties.

Distribution and weight fraction of nanotubes affect stiffness.

Model aligns well with micromechanical predictions.

Abstract

Short fiber reinforced polymer composites have found extensive industrial and engineering applications owing to their unique combination of low cost, relatively easy processing and superior mechanical properties compared to their parent polymers. In this study, a coarse grained (CG) model of cross linked carbon nanotube (CNT) reinforced polymer matrix composites is developed. A characteristic feature of the CG model is the ability to capture the interactions between polymer chains, and nanotubes and polymer matrix. The dependence of the elastic properties of the composites on the mole fraction of cross links, and the weight fraction and distribution of nano tube reinforcements is discussed. The simulation results reveal that the fictionalization of CNTs using methylene cross links is a key factor toward signicantly increasing the elastic properties of randomly distributed short CNT reinforced poly (methyl methacrylate) (PMMA) matrix. The applicability of the CG model in predicting the elastic properties of CNT reinforced polymer composites is also evaluated through a verification process with a micromechanical model for unidirectional short fibers.

Full text

See pages 1-last of elsarticletemplate.pdf