Numerical coarse-graining of polymer field theories

ORAL

Abstract

Field theoretic models of polymers are widely used to investigate polymer self-assembly, but numerical simulations of these models that include full fluctuation physics are computationally demanding and infrequently conducted. To enable efficient multi-scale simulations, we propose the use of systematically coarse-grained field theories that can be simulated on coarse computational lattices while accurately incorporating the effects of important sub-lattice-scale physics. We present a rigorous formalism for generating such coarse-grained theories from data obtained from small-scale fine-grained simulations, and demonstrate our methodology's effectiveness for a representative polymer solution model.

Authors

  • Michael Villet

    University of California, Santa Barbara

  • Glenn Fredrickson

    University of California, Santa Barbara, UCSB