Clean Technology 2009

Multiscale Modeling of Nano-Reinforced Composite Interfaces

J.M. Wernik, S.A. Meguid
Univeristy of Toronto, CA

Keywords: multiscale, nano-reinforced, carbon nanotubes, interface, atomistic-based continuum, nonlinear


In this paper, we describe a novel approach to the development of a nonlinear atomistic-based representative volume element for the study of nano-reinforced composites. The RVE is further used to investigate the mechanical properties of the system and to study the sensitivity of these properties on the interfacial representation. The nonlinear response of armchair and zigzag nanotubes their nano-reinforced polymer counterparts are presented. The effect of nanotube concentration is also investigated and nanotube pullout tests are conducted to quantify the interfacial shear stress. The present work has further been extended to investigate the effect of cross-linking on the interfacial properties. Two cases are considered, the addition of strong covalent bonds between the CNT and polymer matrix with and without introducing structural changes in the nanotube. The results agree well with published experimental and theoretical findings. Our recent efforts in characterizing nano-reinforced composite systems were presented at the 2008 ASME International Mechanical Engineering Congress and Exposition in Boston where we were honored to receive the Innovation Award for our paper and poster entitled 3D Atomistic-based continuum model of nano-reinforced polymers.
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