Extended Data Fig. 10: Atomistic simulations for uniaxial compression of ND/DMG composite nanopillars.
(a) Changes of content of sp2 bonds and sp3 bonds in the multi-layer graphene matrix of ND/DMG composite nanopillar with diameter D of 10 nm. (b) Changes of content of sp2 bonds and sp3 bonds in the nanodiamond domains of ND/DMG composite nanopillar with diameter D of 10 nm. (c-d) Bonding structures in the section of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 5% and 24%, respectively. (e) Von Mises strain in the section of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 24%. (f-g) Bonding structures in the section of the multi-layer graphene matrix of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 18% and 40%, respectively. (h) Von Mises strain in the section of multi-layer graphene matrix of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 40%. (i-j) Bonding structures in the section of the nanodiamond domains of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 20% and 40%, respectively. (k) Von Mises stress in the section of the nanodiamond domains of ND/DMG composite nanopillar with diameter D of 10 nm at compressive strain of 40%. The atoms in c-d, f-g and i-j are colored according to their bonding structures. The atoms in e, h and k are colored according to their von Mises shear strains. The bond evolution in a is attributed to the breaking of sp3 bonds between graphene layers (c-e) and sp2 to sp3 (graphite-to-diamond) transformation under shear (f-h). The bond evolution in b is related to the sp3 to sp2 (diamond-to-graphite) transformation under shear (i-k).
