Application of molecular dynamics to evaluate the design performance of low aspect ratio carbon nanotubes in fibre reinforced polymer resin

In this paper, a methodology is developed to evaluate the design performance of polymer resin in a carbon fibre reinforced composite using atomistic simulation. Critical values are determined for strain invariants and related to the structural performance of the material system. The usefulness of the approach is demonstrated by evaluating the addition of low aspect ratio single walled carbon nanotubes (CNTs) to epoxy resin. Elastic modulus and strain invariants are evaluated to interpret the effect on the stiffness of the resin and resistance to distortional and dilatational failure.