Imposition of physical parameters in dissipative particle dynamics

作者：Mai-Duy, N.^*; Phan-Thien, N.; Tran-Cong, T.

来源：Computer Physics Communications, 2017, 221: 290-298.

DOI：10.1016/j.cpc.2017.09.003

• Dissipative particle dynamics
• Physical/dimensionless parameters
• Weighting functions
• Inertia and relaxation time scales
• Compressibility
• Viscosity
• Dynamic response

In the mesoscale simulations by the dissipative particle dynamics (DPD), the motion of a fluid is modelled by a set of particles interacting in a pairwise manner, and it has been shown to be governed by the Navier Stokes equation, with its physical properties, such as viscosity, Schmidt number, isothermal compressibility, relaxation and inertia time scales, in fact its whole rheology resulted from the choice of the DPD model parameters. In this work, we will explore the response of a DPD fluid with respect to its parameter space, where the model input parameters can be chosen in advance so that (i) the ratio between the relaxation and inertia time scales is fixed; (ii) the isothermal compressibility of water at room temperature is enforced; and (iii) the viscosity and Schmidt number can be specified as inputs. These impositions are possible with some extra degrees of freedom in the weighting functions for the conservative and dissipative forces. Numerical experiments show an improvement in the solution quality over conventional DPD parameters/weighting functions, particularly for the number density distribution and computed stresses.

• 出版日期2017-12