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1. A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

Author

Melro, Liliana Sofia S. F. P., Pyrz, Ryszard, Jensen, Lars Rosgaard, Madsen, Bo, Biel, A., Kusano, Y., Lilholt, H., Mikkelsen, L.P., Mishnaevsky Jr., L., and Sørensen, B.F.

Subjects
Functionalised graphene, Epoxy resin, interface interaction, Molecular Dynamics Simulation
Abstract

The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.

Published
2016

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