Self-consistent dissipative particle dynamics algorithm
FOM Institute for Atomic and Molecular Physics, Kruislaan 407,
1098 SJ Amsterdam, The Netherlands
Accepted: 3 April 1998
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.
PACS: 05.40.+j – Fluctuation phenomena, random processes, and Brownian motion / 02.70.Ns – Molecular dynamics and particle methods / 66.20.+d – Viscosity of liquids; diffusive momentum transport
© EDP Sciences, 1998