Effects of single adatom and Stone-Wales defects on the elastic properties of carbon nanotube/polypropylene composites: A molecular simulation study

Molecular dynamics (MD) simulations were implemented to investigate the effect of single adatom (SA) and Stone-Wales (SW) defects on the longitudinal elastic properties of unidirectional carbon nanotube (CNT)/polypropylene (PP) composites. The longitudinal Young's moduli of individual CNTs and CNT/PP composites were calculated from uniaxial tension simulations, and the interfacial shear strengths (IFSSs) between CNTs and PP matrix were also...