A Molecular Dynamics Study of Polymer/Graphene Nanocomposites

Rissanou, Anastassia and Harmandaris, Vagelis (2013) A Molecular Dynamics Study of Polymer/Graphene Nanocomposites. Journal of Macromolecular Symposia. ISSN MS-Nr: masy.201300070.R1 (In Press)

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Abstract

Graphene based polymer nanocomposites are hybrid materials with a very broad range of technological applications. In this work, we study three hybrid polymer/graphene interfacial systems (polystyrene/graphene, poly(methyl methacrylate)/graphene and polyethylene/graphene) through detailed atomistic molecular dynamics (MD) simulations. Density profiles, structural characteristics and mobility aspects are being examined at the molecular level for all model systems. In addition, we compare the properties of the hybrid systems to the properties of the corresponding bulk ones, as well as to theoretical predictions.

Item Type: Article
Subjects: Q Science > QC Physics
Depositing User: Dr Anastassia Rissanou
Date Deposited: 19 Jul 2013 10:53
Last Modified: 05 May 2017 10:50
URI: http://preprints.acmac.uoc.gr/id/eprint/236

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