“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 12187 |
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| Abstract: | |||||
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A combination of molecular dynamics, molecular structural mechanics, and finite element method is
employed to compute the elastic constants of a polymeric nanocomposite embedded with graphene
sheets, and carbon nanotubes. The model is first applied to study the effect of inclusion of graphene
sheets on the Young modulus of the composite. To explore the significance of the nanofiller geometry,
the elastic constants of nanotube-based and graphene-based polymer composites are computed under
identical conditions. The reinforcement role of these nanofillers is also investigated in transverse
directions. Moreover, the dependence of the nanocomposite?s axial Young modulus on the presence of
ripples on the surface of the embedded graphene sheets, due to thermal fluctuations, is examined via
MD simulations. Finally, we have also studied the effect of sliding motion of graphene layers on the
elastic constants of the nanocomposite.
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