The Study of Single-walled Nanotube Reinforced Epoxy Composites by Molecular Dynamics
Recently, enhance the mechanical property of nanocomposite were used by adding the nanotubes. The mechanical properties of the nanocomposite were affected by interfacial bonding energy between nanotubes and polymers. In this paper, the interfacial bonding energy and Young's moulds of single-walled nanotube (SWNT) reinforced epoxy composites were investigated using molecular dynamics (MD) simulations based on a cured epoxy resin model, which was constructed by incorporating three-dimensional crosslinks formed during curing reaction. The structure types of SWNT include the armchair, zigzag and chiral was used in this study. After simulation, adding SWNT in the epoxy resin really has been reinforced effect, and the larger chiral angle of SWNT the better to strengthen. The study also calculated the interfacial bonding energy between the epoxy and the SWNT affects the ability of strengthening to the composite of SWNT. Within the range of 273K-473K, the temperature has a little influence on Young's moulds of SWNT reinforced epoxy composites.