Imposition of physical parameters in dissipative particle dynamics

Mai-Duy, N. and Phan-Thien, N. and Tran-Cong, T. (2017) Imposition of physical parameters in dissipative particle dynamics. Computer Physics Communications, 221. pp. 290-298. ISSN 0010-4655


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.

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Item Type: Article (Commonwealth Reporting Category C)
Refereed: Yes
Item Status: Live Archive
Additional Information: Accepted version embargoed until December 2019, in accordance with the copyright policy of the Publisher.
Faculty / Department / School: Current - Faculty of Health, Engineering and Sciences - School of Mechanical and Electrical Engineering
Date Deposited: 25 Jan 2018 04:38
Last Modified: 02 May 2018 02:01
Uncontrolled Keywords: dissipative particle dynamics; physical/dimensionless parameters; weighting functions; inertia and relaxation time scales; compressibility; viscosity; dynamic response
Fields of Research : 01 Mathematical Sciences > 0103 Numerical and Computational Mathematics > 010399 Numerical and Computational Mathematics not elsewhere classified
09 Engineering > 0913 Mechanical Engineering > 091307 Numerical Modelling and Mechanical Characterisation
Socio-Economic Objective: E Expanding Knowledge > 97 Expanding Knowledge > 970109 Expanding Knowledge in Engineering
E Expanding Knowledge > 97 Expanding Knowledge > 970101 Expanding Knowledge in the Mathematical Sciences
Identification Number or DOI: 10.1016/j.cpc.2017.09.003

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