Self-consistent dissipative particle dynamics algorithm

Publication date

1998

Authors

Pagonabarraga, I.
Hagen, M. H. J.
Frenkel, D.

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Article
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Abstract

We propose an implementation of dissipative particle dynamics that is free of the inconsistencies that plagued earlier algorithms. The present algorithm satisfies a form of microscopic reversibility. As a consequence, we recover the correct equilibrium properties. Moreover, we can use much larger time steps than previously. We report a detailed comparison between simulated transport properties and the theoretical predictions. We find that the existing theory is only valid under very special conditions. A more general theory is still lacking.

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