Atomistic simulation of graphene-based polymer nanocomposites
- Crete Center for Quantum Complexity and Nanotechnology (CQCN), Department of Physics, University of Crete, Heraklion, Crete (Greece)
Polymer/graphene nanostructured systems are hybrid materials which have attracted great attention the last years both for scientific and technological reasons. In the present work atomistic Molecular Dynamics simulations are performed for the study of graphene-based polymer nanocomposites composed of pristine, hydrogenated and carboxylated graphene sheets dispersed in polar (PEO) and nonpolar (PE) short polymer matrices (i.e., matrices containing chains of low molecular weight). Our focus is twofold; the one is the study of the structural and dynamical properties of short polymer chains and the way that they are affected by functionalized graphene sheets while the other is the effect of the polymer matrices on the behavior of graphene sheets.
- OSTI ID:
- 22609143
- Journal Information:
- AIP Conference Proceedings, Vol. 1736, Issue 1; Conference: 8. international conference on times of polymers and composites: From aerospace to nanotechnology, Naples (Italy), 19-23 Jun 2016; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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