Influence of chirality on the interfacial bonding characteristics of carbon nanotube polymer composites

The influence of chirality on the interfacial bonding characteristics of single-walled nanotubes (SWNTs) reinforced polymer composites was investigated using molecular mechanics and molecular dynamics simulations. The simulations indicate that the interfacial bonding and shear stress between the SWNT and the poly(methyl methacrylate) depends on the chirality. For SWNTs with similar molecular weights, diameters, and lengths, nanotubes with larger chiral angles achieve higher bonding energy and the armchair nanotube may be the best nanotube type for reinforcement. The general conclusions derived from this work may be of importance in devising advanced nanotube reinforced composites. (C) 2008 American Institute of Physics.