Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

Results are presented from 300 ns long atomistic molecular dynamics (MD) simulations of polyethylene (PE) melts, ranging in molecular length from C78 to C250. Above C156, the self-diffusion coefficient D is seen to exhibit a clear change in its power-law dependence on the molecular weight (M), signi... View More