On the microscopic foundation of dissipative particle dynamics

Details On the microscopic foundation of dissipative particle dynamics On the microscopic foundation of dissipative particle dynamics

2009-03-03

arxiv.org/abs/0903.0485v2

Physics

Condensed Matter

Soft Condensed Matter

First revision

Scientific paper

Mesoscopic particle based fluid models, such as dissipative particle dynamics, are usually assumed to be coarse-grained representations of an underlying microscopic fluid. A fundamental question is whether there exists a map from microscopic particles in these systems to the corresponding coarse-grained particles, such that the coarse-grained system has the same bulk and transport properties as the underlying system. In this letter, we investigate the coarse-graining of microscopic fluids using a Voronoi type projection that has been suggested in several studies. The simulations show that the projection fails in defining coarse-grained particles that have a physically meaningful connection to the microscopic fluid. In particular, the Voronoi projection produces identical coarse-grained equilibrium properties when applied to systems with different microscopic interactions and different bulk properties.

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