Abstract
Graphene based polymer nanostructured systems are hybrid materials with a broad range of technological applications. Here, we present results from detailed all-atom simulations of various polymer/graphene model systems. Different polymers are studied: Polyethylene (PE), Polystyrene (PS,) Poly(methyl methacrylate) (PMMA) and Poly(ethylene oxide) (PEO) as thin films either confined between two graphene layers or as free standing polymer films supported by multiple graphene layers. Moreover, we study graphene based polymer nanocomposites. We present a detailed analysis of the structural and dynamical heterogeneities of the hybrid model systems, through all-atom Molecular Dynamics simulations. Both structural and dynamical properties of the hybrid systems are studied and compared with the corresponding properties of the bulk systems respectively. Equilibrium and non-equilibrium phenomena of hybrid polymeric systems are analyzed over a broad range of time and length scales.
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