Elastic properties of nanocomposite materials: influence of carbon nanotube imperfections and interface bonding

Abstract

The paper at hand investigates degradation of elastic properties of a composite material reinforced by carbon nanotubes. Sources of degradation are waviness of a nanotube, vacancies and 5-7-7-5 defects. The manuscript aims to establish the computational procedure based on the atomistic finite element method for estimation of elastic properties by accounting for these defects. An epoxy nanocomposite with typical properties is selected and carefully analysed. Special attention is devoted to proper simulation of van der Waals forces at the matrix-nanotube interface. A series of numerical experiments with different waviness ratios and type of defects is performed and based on these results interpolation of elastic properties is carried out. It is found that proper modelling of van der Waals interactions and waviness has a profound influence on the mechanical behaviour of the nanocomposite, while the other type of defects are of secondary importance.