Volume 66, Number 3, May 2004
|Page(s)||311 - 317|
|Published online||01 April 2004|
Elimination of time step effects in DPD
Department of Chemical Engineering, Universiteit van Amsterdam Nieuwe Achtergracht 166, 1018WV Amsterdam, The Netherlands
Corresponding author: firstname.lastname@example.org
Accepted: 3 March 2004
The equilibrium statistics of quantities computed by means of DPD (dissipative particle dynamics) are usually very sensitive to the time step used in the simulation. In this letter we show how to eliminate this sensitivity by considering the irreversible dynamics in DPD as the limiting case of a thermostat that leaves Maxwell-Boltzmann distribution invariant even for finite time steps. The remaining dependency on time step is solely due to the discretization of the conservative part of the dynamics and is independent of the thermostat.
PACS: 02.70.Ns – Molecular dynamics and particle methods / 05.40.-a – Fluctuation phenomena, random processes, noise, and Brownian motion / 66.20.+d – Viscosity of liquids; diffusive momentum transport
© EDP Sciences, 2004
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