A numerical model for evaluating elastic properties of carbon nanotube reinforced composites

In this paper, a numerical model is set up for a representative volume element (RVE) to evaluate the macroscopic elastic properties of carbon nanotube reinforced composites. This RVE contains a carbon nanotube, a transition layer between the nanotube and polymer matrix and an outer polymer matrix body. First, based on the force field theory of molecular mechanics and computational structural mechanics, an equivalent beam model is constructed for the carbon nanotube. Second, the molecular mechanics computations have been performed to obtain the various properties of the transition layer at the level of atoms. Moreover, an efficient 3 dimensional (3D) 8-noded brick finite element is employed to model the transition layer and the outer polymer matrix. The macroscopic behaviors of the RVE can then be evaluated using the proposed finite element model.