Seminars & Events

Mathematics and Computer Science Division
"A Higher Order Multiscale Method for Polymer-Laden Flows"

DATE: June 29, 2011
TIME: 10:30 AM - 11:30 AM
SPEAKER: Bakytzhan Kallemov, LANS Postdoc Interviewee
LOCATION: Building 240 Seminar Room 4301, Argonne National Laboratory
HOST: Emil Constantinescu and Mihai Anitescu

Description:
A Higher Order Multiscale Method for Polymer-Laden Flows.
Polymer solutions exhibit fluid dynamic behavior not easily modeled with continuum stress constitutive laws. To simulate such fluids, and to perform numerical experiments aimed at improving continuum constitutive closures, we are working toward a multiscale approach where the macroscopic stress is derived directly from molecular-scale models coupled to the macroscopic equations. Our approach begins with Kramers freely-jointed polymer model. This model is a coarse graining of atomistic representations that is known to capture many essential features of real polymers, and a wealth of analysis provides verification and validation tests for our numerical method. We derive a new second order accurate discretization of the stochastic Langevin equations for this model, demonstrate second-order coupling
of this molecular model to continuum solvers, and show progress toward the goal of a full multiscale rheology calculation.

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