Volume 86, Number 4, May 2009
|Number of page(s)||6|
|Section||Electromagnetism, Optics, Acoustics, Heat Transfer, Classical Mechanics, and Fluid Dynamics|
|Published online||27 May 2009|
On the microscopic foundation of dissipative particle dynamics
Department of Physics, University of Gothenburg - SE-41296 Göteborg, Sweden, EU
2 Complex Systems Group, Department of Energy and Environment, Chalmers University of Technology SE-41296 Göteborg, Sweden, EU
Corresponding author: email@example.com
Accepted: 21 April 2009
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.
PACS: 47.11.-j – Computational methods in fluid dynamics / 47.11.St – Multi-scale methods / 47.57.-s – Complex fluids and colloidal systems
© EPLA, 2009
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