Abstract
A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.
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