Insight into the Dispersion Mechanism of Polymer-Grafted Nanorods in Polymer Nanocomposites: A Molecular Dynamics Simulation Study

Coarse-grained molecular dynamics simulations are performed to investigate the dispersion behavior and the underlying dispersion mechanism of polymer-grafted nanorods (NRs) in a polymer matrix. The influences of grafting density, grafted chain length, and the miscibility between grafted chains and matrix chains are systematically analyzed. The simulation results indicate that the dispersion state of grafted NRs is determined primarily by the...