title: Multiscale modeling of polymer rheology.
abstract: We propose a simulation method which can be used to readily parallelize simulations on systems with a large spatial extent. We simulate small parts of the system with independent molecular dynamics simulations, and only occasionally pass information between them through a constitutive model free continuum approach. We illustrate the power of this method in the case of a polymeric fluid undergoing rapid one-dimensional shear flow. Since we show that this flow problem cannot be modeled by using a steady-state constitutive model, this method offers the unique capability for accessing the nonlinear viscoelasticity of complex fluids.
authors.affiliation: Department of Mechanical, Nuclear and Aeronautical Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, USA.
authors.forename: Subhranil
authors.initials: S
authors.lastname: De
authors.forename: Jacob
authors.initials: J
authors.lastname: Fish
authors.forename: Mark S
authors.initials: MS
authors.lastname: Shephard
authors.forename: Pawel
authors.initials: P
authors.lastname: Keblinski
authors.forename: Sanat K
authors.initials: SK
authors.lastname: Kumar