Multiscale Modeling of Polymer Rheology

We propose a novel simulation method which can be used to readily parallelizesimulations on systems with a large spatial extent. We simulate small parts of thesystem with independent molecular dynamics simulations, and only occasionally passinformation between these simulations through a constitutive model free continuumapproach. We illustrate the power of this method in the case of a polymeric fluidundergoing rapid one dimensional shear flow. Since we show that this flow problemcannot be modeled by using a steady-state constitutive model, this method offersthe unique capability for accessing the non-linear viscoelasticity of complex fluids.