Abstract
The force-displacement curves, obtained from a nanoindentation experiment, are generally analysed using continuum contact mechanics models. However, the applicability of these models at the nanoscale is questionable due to several inherited nanoscale phenomena, e.g., discreteness, quantum manifestations, and scale effects. Atomistic simulations such as molecular dynamics could provide better insight into the contact mechanics of nanoscale systems. In this chapter, we present a comprehensive molecular dynamics simulations of the contact behaviour of multilayered graphene-reinforced composite systems. Three aspects of the work were considered. The first was concerned with the force-displacement curves resulting from nanoindentation of a polyethylene matrix reinforced by multilayered graphene sheets. The second is concerned with the associated deformation patterns as well as the atomic adhesion associated with the retraction stage of the indenter. The third is concerned with the reinforcement mechanism and fracture behaviour associated with the increase in the number of graphene sheets and their spatial locations within the composite. The results of our work reveal: (a) strong interlayer interaction of graphene results in higher indentation resistance, (b) indentation resistance of a single-layer graphene-coated polyethylene is about 13-fold of the indentation resistance of pure polyethylene, (c) strong atomic adhesion between the indenter and the graphene prevails at the nanoscale, and (d) the proper choice of interlayer separation is critical in achieving the best performance of multilayered graphene-reinforced nanocomposites.
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The authors wish to thank NSERC and the Discovery Accelerator Supplement for their kind support of this research.
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Meguid, S.A., Alian, A.R., Dewapriya, M.A.N. (2018). Atomistic Modelling of Nanoindentation of Multilayered Graphene-Reinforced Nanocomposites. In: Meguid, S., Weng, G. (eds) Micromechanics and Nanomechanics of Composite Solids. Springer, Cham. https://doi.org/10.1007/978-3-319-52794-9_2
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