Abstract
Molecular Dynamics (MD) simulations were carried out to investigate the effects of graphene oxide (GO) on the mechanical properties of cross-linked epoxy nanocomposites which were built using Diglycidyl Ether of Bisphenol A (DGEBA), an epoxy resin cross-linked with Triethylenetetramine (TETA). Different models of epoxy nanocomposites were modeled with different weight percent (wt. %) of GO ranging from 0.1 to 0.7. The simulation results indicated that reinforcement of small amount of GO (0.5 wt. %) into epoxy matrix considerably improve the elastic modulus of epoxy nanocomposites than that of pure epoxy. At 0.7wt% of GO reinforced composite, it was estimated that maximum value of elastic modulus increased by 32%. Whereas, at 0.3wt% of GO reinforced composite, maximum value tensile strength increased by 6 %. Furthermore, the glass transition temperature (Tg) of different simulated models were estimated. The MD simulation results show reasonable agreement with the available experimental results.
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