Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2007-04-25
PHYSICAL REVIEW E 77, 016707 (2008)
Physics
Condensed Matter
Soft Condensed Matter
10 pages, 10 figures
Scientific paper
10.1103/PhysRevE.77.016707
There exist methods for determining effective conservative interactions in coarse grained particle based mesoscopic simulations. The resulting models can be used to capture thermal equilibrium behavior, but in the model system we study do not correctly represent transport properties. In this article we suggest the use of force covariance to determine the full functional form of dissipative and stochastic interactions. We show that a combination of the radial distribution function and a force covariance function can be used to determine all interactions in dissipative particle dynamics. Furthermore we use the method to test if the effective interactions in dissipative particle dynamics (DPD) can be adjusted to produce a force covariance consistent with a projection of a microscopic Lennard-Jones simulation. The results indicate that the DPD ansatz may not be consistent with the underlying microscopic dynamics. We discuss how this result relates to theoretical studies reported in the literature.
Eriksson Anders
Nilsson Jacobi Martin
Nystrom Johan
Tunstr\om Kolbj\orn
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