Imposition of physical parameters in dissipative particle dynamics

被引:10
作者
Mai-Duy, N. [1 ]
Phan-Thien, N. [2 ]
Tran-Cong, T. [1 ]
机构
[1] Univ Southern Queensland, Sch Mech & Elect Engn, Computat Engn & Sci Res Ctr, Toowoomba, Qld 4350, Australia
[2] Natl Univ Singapore, Dept Mech Engn, Fac Engn, 9 Engn Dr 1, Singapore 117575, Singapore
关键词
Dissipative particle dynamics; Physical/dimensionless parameters; Weighting functions; Inertia and relaxation time scales; Compressibility; Viscosity; Dynamic response; SIMULATION; SYSTEMS; FLUIDS; MODEL;
D O I
10.1016/j.cpc.2017.09.003
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
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. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:290 / 298
页数:9
相关论文
共 26 条
  • [1] [Anonymous], 1998, THEORETICAL ASPECTS
  • [2] STATISTICAL-MECHANICS OF DISSIPATIVE PARTICLE DYNAMICS
    ESPANOL, P
    WARREN, P
    [J]. EUROPHYSICS LETTERS, 1995, 30 (04): : 191 - 196
  • [3] Smoothed dissipative particle dynamics -: art. no. 026705
    Español, P
    Revenga, M
    [J]. PHYSICAL REVIEW E, 2003, 67 (02): : 12
  • [4] Dissipative particle dynamics for a harmonic chain: A first-principles derivation
    Espanol, P
    [J]. PHYSICAL REVIEW E, 1996, 53 (02): : 1572 - 1578
  • [5] HYDRODYNAMICS FROM DISSIPATIVE PARTICLE DYNAMICS
    ESPANOL, P
    [J]. PHYSICAL REVIEW E, 1995, 52 (02): : 1734 - 1742
  • [6] Perspective: Dissipative particle dynamics
    Espanol, Pep
    Warren, Patrick B.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2017, 146 (15)
  • [7] Simulating flow of DNA suspension using dissipative particle dynamics
    Fan, Xijun
    Phan-Thien, Nhan
    Chen, Shuo
    Wu, Xuhong
    Ng, Teng Yong
    [J]. PHYSICS OF FLUIDS, 2006, 18 (06)
  • [8] Fuchslin R.M., 2009, J CHEM PHYS, V130
  • [9] Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
    Groot, RD
    Warren, PB
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (11) : 4423 - 4435
  • [10] SIMULATING MICROSCOPIC HYDRODYNAMIC PHENOMENA WITH DISSIPATIVE PARTICLE DYNAMICS
    HOOGERBRUGGE, PJ
    KOELMAN, JMVA
    [J]. EUROPHYSICS LETTERS, 1992, 19 (03): : 155 - 160