Novel properties of nano-engineered cementitious materials with fullerene buckyballs

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 (C-60). This research is dedicated to the analysis - at nanoscale - of the processus of embedding C-60 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.