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This research focuses on the development of a constitutive model for carbon nanotube polymer composites incorporating nanoscale attributes of the interface between the nanotube and polymer. Carbon nanotube polymer composites exhibit promising properties, as structural materials and the current work is focusing on understanding their load transfer capabilities. The nanoscale phase separation phenomena are investigated using molecular dynamics (MD) simulations. The simulations based on MD provide grounds for developing a cohesive zone model for the interface valid for continuum mechanics simulations.