title: A comparative study between dissipative particle dynamics and molecular dynamics for simple- and complex-geometry flows.
abstract: The purpose of this study is to compare the results from molecular-dynamics and dissipative particle dynamics (DPD) simulations of Lennard-Jones (LJ) fluid and determine the quantitative effects of DPD coarse graining on flow parameters. We illustrate how to select the conservative force coefficient, the cut-off radius, and the DPD time scale in order to simulate a LJ fluid. To show the effects of coarse graining and establish accuracy in the DPD simulations, we conduct equilibrium simulations, Couette flow simulations, Poiseuille flow simulations, and simulations of flow around a periodic array of square cylinders. For the last flow problem, additional comparisons are performed against continuum simulations based on the spectral/hp element method.
authors.affiliation: Division of Applied Mathematics, Brown University, Providence, Rhode Island 02912, USA.
authors.forename: Eric E
authors.initials: EE
authors.lastname: Keaveny
authors.forename: Igor V
authors.initials: IV
authors.lastname: Pivkin
authors.forename: Martin
authors.initials: M
authors.lastname: Maxey
authors.forename: George
authors.initials: G
authors.lastname: Em Karniadakis