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.
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Authors
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Michael Villet
University of California, Santa Barbara
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Glenn Fredrickson
University of California, Santa Barbara, UCSB