In this paper, a molecular dynamics model and a finite
element
model of graphene oxide-reinforced composites were developed, and
the effects of mass fraction of graphene oxide (GO) on the mechanical
properties of GO/PA66 composites were analyzed. The molecular dynamics
model was randomly distributed in the finite element model to achieve
cross-scale calculations from nanometer to micron. The effect of the
molecular dynamics model size on the tensile mechanical properties
of the composites was evaluated, and it was found that the elastic
modulus initially increased and then decreased with the increase in
model size. The study revealed that GO is surrounded by numerous hydrogen
bonds, and these enhance the mechanical performance of the composites.
Subsequently, a finite element model of the GO-reinforced composites
was developed. The mechanical properties obtained from the size-optimized
model of the molecular dynamics simulation were randomly specified
within the finite element model to create a fine-scale model. And
the calculations showed that GO enhances the mechanical properties
of the composite by altering the stress transfer paths in the composite
and taking up a larger amount of stress.