Multi-scale modeling of tensile behavior of carbon nanotube-reinforced composites

A multi-scale representative volume element (RVE) for modeling the tensile behavior of carbon nanotube-reinforced composites is proposed. The RVE integrates nanomechanics and continuum mechanics, thus bridging the length scales from the nano- through the mesoscale. A progressive fracture model based on the modified Morse interatomic potential is used for simulating the behavior of the isolated carbon nanotubes and the FE method for modeling the matrix and building the RVE. Between the nanotube and the matrix a perfect bonding is assumed until the interfacial shear stress exceeds the corresponding strength. Then, nanotube/matrix debonding is simulated by prohibiting load transfer in the debonded region. Using the RVE, a unidirectional nanotube/polymer composite was modeled and the results were compared with corresponding rule-of-mixtures predictions. A significant enhancement in the stiffness of the polymer owing to the adding of the nanotubes is predicted. The effect of interfacial shear strength on the tensile behavior of the nanocomposite was also studied. Stiffness is found to be unaffected while tensile strength to significantly decrease with decreasing the interfacial shear strength. (c) 2007 Elsevier Ltd. All rights reserved.