Speaker
Description
Graphene-polymer nanocomposites have attracted some attentions from researchers recently due to its potential applications as a stress sensor or a lightweight-flexible conductor. A series of atomistic molecular dynamics simulations were performed for the systems consisting of a graphene flake within 4-mer isoprene matrix to assess the conformational order of isoprene molecules at the matrix-filler interphase. Two sizes (1.35 nm and 2.5 nm diameters) of graphene flakes were examined along with pure 4-mer isoprene melt. Local density and orientation of rubber polymer chains were measured as a function of distance from graphene. The interaction ranges between 4-mer isoprene and graphene, and between a pair of 4-mer isoprene chains were analyzed. These results provide some useful information for further research on rubber nanocomposites.
