| Author | Subhranil De, Jacob Fish, Mark S. Shephard, Pawel Keblinski and Sanat K. Kumar |
|---|---|
| Title | Multiscale Modeling of Polymer Rheology |
| Year | 2005 |
| Journal | Physical Review Letters |
| Volume | in print |
| Pages | in print |
| Abstract | We propose a novel 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 these simulations 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 non-linear viscoelasticity of complex fluids. |
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