(352d) Hi-Fidelity Dissipative Particle Dynamics (DPD) Simulation of Shear Banding in Entangled Polymer Melts

Mohagheghi, M. - Presenter, Proctor & Gamble
Khomami, B., University of Tennessee

In recent years, the existence of spatially inhomogeneous shear flow in entangled polymeric solutions and melts has been demonstrated. Specifically, in steady or transient shear flows, this class of fluids could exhibit shear banding, i.e., the flow separates into fast and slow moving regimes. In this presentation, the result of the first hi-fidelity and coarse grained DPD simulations of shear flow of entangled polymeric melts will be presented with the aim of paving the way for a mechanistic understanding of shear banding in entangled polymers. Specifically, large-scale DPD simulations of entangled polymers over a broad range of deformation rates and entanglement densities have been performed. Overall, our results clearly demonstrate the existence of shear banding and the associated macromolecular dynamics. In this presentation, these results will be discussed in the context of recent coarse-grained molecular dynamics of moderately entangled polymers as well as continuum level models devoted to phenomenology of shear banding.