Nonuniform dielectric constants are ubiquitous in a wide range of complex fluids. The polarization charges resulting from such dielectric inhomogeneities can qualitatively alter the interactions between colloids and polyelectrolytes in solution, but are nevertheless widely ignored in theory and computational modeling. We discuss a newly developed algorithm for computing the fluctuating polarization charge at the interface between dielectric materials during a molecular dynamics simulation. Its applicability is demonstrated for arrays of charged cylindrical macromolecules in the presence of explicit counterions as well as for aggregation in binary colloidal mixtures. Our findings have implications for bundle formation of polyelectrolytes, such as F-actin or DNA, and for self-assembly control in colloidal suspensions.

Dielectric many-body effects in self-assembly of charged polymers and colloids

246th National Meeting (2013)

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