Abstract

In the present work, the important subject of the improvement of the strength and the durability of the future generation of smart nano-engineered cementitious composites is evoked through the incorporation of another kind of nanomaterial like fullerene buckyballs (C60). This research is dedicated to the analysis - at nanoscale - of the processus of embedding C60 nanomaterials in calcium silicate hydrates (C–S–H). Using molecular dynamics simulations, the mechanical response with the density and dispersion of fullerene molecules as well as porosity of C–S–H are evaluated. Under shear stress, the nanostructure shows an increase of the shear strength along x and y directions due to the long silicate chains and Ca–O bond.

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