Abstract
In this study, we examine the effect of filler alignment on percolation behavior of polymer nanocomposites using Monte Carlo simulations of monodisperse prolate and oblate hard-core soft-shell ellipsoids representing carbon nanotubes and graphene nanoplatelets, respectively. The percolation threshold is observed to increase with increasing extent of alignment as expected. For a highly aligned system of rod-like fillers, the simulation results are shown to be in good agreement with the second virial approximation based predictions. However, for a highly aligned system of disk-like fillers, the second virial approximation based results are observed to significantly deviate from the simulations, even for higher aspect ratios. The effect of filler alignment on anisotropy in percolation behavior is also studied by predicting the percolation threshold along different directions. The anisotropy in percolation threshold is found to vanish even for highly aligned systems of fillers with increasing system size.
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