Self-consistent dissipative particle dynamics algorithm

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 ti...

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Veröffentlicht in:Europhysics letters 1998-05, Vol.42 (4), p.377-382
Hauptverfasser: Pagonabarraga, I, Hagen, M. H. J, Frenkel, D
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0295-5075
1286-4854
DOI:10.1209/epl/i1998-00258-6