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 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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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. |
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ISSN: | 0295-5075 1286-4854 |
DOI: | 10.1209/epl/i1998-00258-6 |