Molecular Dynamics Study of Interfacial Properties in Flattened Carbon Nanotubes and Polymer Composites

Abstract

In this study, the interaction characteristics of two polymer systems (fluorinated and non-fluorinated polyimides) with flattened carbon nanotube (flCNT) surfaces are predicted with molecular dynamics simulation and directly compared. The results show that the presence of the CF3 groups in the fluorinated polyimide creates increased steric hindrance at the interface which causes a reduction in the interaction energy with the flCNT surface and an increase in the frictional force resistance of the flCNT to shearing motion.