77 Molecular Dynamics Study of Mechanical Properties of Carbon-Nanotube Reinforced LY556 Composites

Multi-walled carbon nanotubes (MWNTs) are used to reinforce epoxy LY556 matrix. Two modeling systems- a CNT reinforced LY556 composite, and the LY556 matrix itself- are studied using the molecular dynamics. The stress-strain relations and the elastic Young's moduli along the longitudinal direction (parallel to CNT) are simulated with the results being also compared to those from the classical micromechanical models (modified mixture law, Voigt-Reuss, and Halpin-Tsai). These models have been tested up to 1.5 weight % of CNTs. The difference of approximate 28% of the values in Young's modulus has been reported in the classical micromechanical models and simulation results. In all the classical models, the Young's moduli of the CNT composites are used as matrix properties.