Improvement of energy dissipative particle dynamics method to increase accuracy
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Improvement of energy dissipative particle dynamics method to increase accuracy Marzie Borhani1 · Somaye Yaghoubi1 Received: 23 June 2020 / Accepted: 13 October 2020 © Akadémiai Kiadó, Budapest, Hungary 2020
Abstract In this article, dissipative particle dynamics with energy conservation eDPD is used for simulating hydrodynamic behavior and heat transfer of DPD particles in a two-dimensional channel with parallel planes. To this end, a Fortran programming code is developed and the results are presented as dimensionless velocity and temperature profiles on the cross section perpendicular to the flow direction inside the channel. For the indented geometry, thermal and dynamic boundary conditions have been considered. The dynamic boundary condition of solution domain in the flow’s direction is periodic, and for modeling the walls, freezing layers of DPD particles with Bounce-Back reflection has been used. For the thermal boundary condition, it is assumed that the wall temperature is constant and the temperature of each DPD particle in contact with the wall is the same as the wall temperature. In this article, for the first time, for modeling the walls four frozen layers with Bounce-Back reflection are used and the effect of particle exit on two and three-layers configurations is investigated. Furthermore, for the first time, modified velocity Verlet integration algorithm is improved by adding heat transfer equations. And considering λ = 0.65 in the algorithm; the indented geometry is well simulated. In order to validate the results, first, the effect of regular and random initial distribution is compared. Furthermore, the results of wall alignment are compared with those obtained from CFD approach. In this paper, in addition to studying the effect of wall alignment and initial particle arrangement, the influence of the size of cells for averaging and the time steps in the output results are investigated. Keywords Dissipative particle dynamics · Heat transfer · Boundary conditions · No-slip · Meso-scale
Introduction Various attempts have been made for the solution of fluid dynamics and heat transfer problems using methods such as computational fluid dynamics (CFD) and atomic techniques such as molecular dynamics (MD). Study and simulation of geometries in meso-scale has always been one of the favorite issues of researchers. Currently, several approaches are used in meso-scale, the most popular of which include Brownian dynamics (BD), Lattice Boltzmann method (LBM), dissipative particle dynamics (DPD) and molecular dynamics (MD). For example, molecular dynamics (MD) approach and Lattice Boltzmann method (LBM) have been used for simulating of nanofluids [1–3], slip flows [3, 4], nanotubes and microchannel [5–8], porous media [9, 10]; for example, * Somaye Yaghoubi [email protected] 1
Department of Mechanical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, Iran
Karimipour et.al. studied the electric field and microchannel type effects on H2O/Fe3O4 nanofluid dynamical manner using molecul
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