Computational and experimental study of interfacial bonding of single-walled nanotube reinforced composites

In the development of nanotube reinforced polymer composites, one of the fundamental issues that scientists and engineers are confronting is the nanotube/polymer interfacial bonding, which will determine load transfer capability from the polymer matrix to the nanotube. In this paper, the interfacial bonding of single-walled nanotube (SWNT) reinforced epoxy composites was investigated using a combination of computational and experimental methods. The interfacial bonding was predicted using molecular dynamics (MD) simulations based on a cured epoxy resin model, which was constructed by incorporating three-dimensional cross-links formed during curing reaction. Based on the pullout simulations, the interfacial shear strength between the nanotube and the cured epoxy resin was calculated to be up to 75 MPa, indicating that there could be an effective stress transfer from the epoxy resin to the nanotube. In the experiments, single-walled nanotube reinforced epoxy composites were fabricated, characterized and analyzed. The uniform dispersion and good interfacial bonding of the nanotubes in the epoxy resin resulted in a 250–300% increase in storage modulus with the addition of 20–30 wt% nanotubes. These experimental results provided evidence of stress transfer in agreement with the simulation results.