Dresden 2006 – scientific programme
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CPP: Chemische Physik und Polymerphysik
CPP 29: Computational Techniques
CPP 29.4: Talk
Friday, March 31, 2006, 11:15–11:30, ZEU 160
Monte Carlo algorithms for electrostatic interactions in dielectric media — •Igor Pasichnyk1, Ralf Everaers1, and Anthony Maggs2 — 1Max Planck Institute for the Physics of Complex Systems, Noethnitzer Str. 38, D-01187 Dresden, Germany — 2Laboratoire de Physico-Chimie Théorique, UMR CNRS–ESPCI 7083, 10 rue Vuaquelin, F-75231 Paris Cedex 05, France
Due to the magnitude and long–range nature of Coulomb forces, the accurate representation of electrostatic interactions in classical computer simulations is a difficult task and an area of on-going research.
Maggs and collaborators [1] have suggested rewriting the problem of a Coulomb system in a local lattice framework which admits also the effective treatment of nonhomogeneous dielectric medium.
The quenched version of the algorithm is applied for the construction of field lines and equipotential surfaces. The algorithm correctly reproduces fluctuations in the electrostatic field that correspond to the zero-frequency component of the van der Waals interaction. Fluctuations in the field produces inhomogeneous polarization, which in turn generates an induced charge density. This charge density interacts electrostatically and produces thermally dependent force between dielectrics. It is shown that these fluctuations lead to a Casimir–like attraction in the triple–slab dielectric system.
[1] A.C. Maggs and V. Rossetto, Phys. Rev. Lett., 88,196402, 2002