Efficient and accurate simulation of dynamic dielectric objects

Kipton Barros; Daniel Sinkovits; Erik Luijten

doi:10.1063/1.4863451

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arXiv · 1401.1522

Efficient and accurate simulation of dynamic dielectric objects

Kipton Barros·Daniel Sinkovits·Erik Luijten

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Abstract

Electrostatic interactions between dielectric objects are complex and of a many-body nature, owing to induced surface bound charge. We present a collection of techniques to simulate dynamical dielectric objects. We calculate the surface bound charge from a matrix equation using the Generalized Minimal Residue method (GMRES). Empirically, we find that GMRES converges very quickly. Indeed, our detailed analysis suggests that the relevant matrix has a very compact spectrum for all non-degenerate dielectric geometries. Each GMRES iteration can be evaluated using a fast Ewald solver with cost that scales linearly or near-linearly in the number of surface charge elements. We analyze several previously proposed methods for calculating the bound charge, and show that our approach compares favorably.

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Kipton Barros, Daniel Sinkovits, Erik Luijten. 2014-01-07. Efficient and accurate simulation of dynamic dielectric objects. https://doi.org/10.1063/1.4863451

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