Elimination of time step effects in DPDE. A. J. F. Peters
Department of Chemical Engineering, Universiteit van Amsterdam Nieuwe Achtergracht 166, 1018WV Amsterdam, The Netherlands email@example.com
(Received 22 January 2004; accepted in final form 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.
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