Dissipative particle dynamics: The equilibrium for finite time steps
Theoretical Physics, Oxford University - 1 Keble Rd., Oxford OX1 3NP, UK
Accepted: 30 January 1997
Dissipative particle dynamics (DPD) is a relatively new technique which has proved successful in the simulation of complex fluids. We caution that for the equilibrium achieved by the DPD simulation of a simple fluid the temperature depends strongly on the time step. An analytic expression for the dependence is obtained and shown to agree well with simulation results.
PACS: 02.70.Ns – Molecular dynamics and particle methods / 47.11.+j – Computational methods in fluid dynamics / 05.70.Ce – Thermodynamic functions and equations of state
© EDP Sciences, 1997