Event-driven molecular dynamics simulation of hard-sphere gas flows in microchannels
type: Item
instance of: scholarly article
title: Event-driven molecular dynamics simulation of hard-sphere gas flows in microchannels
zbMATH Open document ID: 1394.76110
DOI: 10.1155/2015/842837
author: Volkan Ramazan Akkaya
author: Ilyas Kandemir
published in: Mathematical Problems in Engineering
publication date: 2018-08-27T00:00:00Z
review text: Summary: Classical solution of Navier-Stokes equations with nonslip boundary condition leads to inaccurate predictions of flow characteristics of rarefied gases confined in micro/nanochannels. Therefore, molecular interaction based simulations are often used to properly express velocity and temperature slips at high Knudsen numbers (Kn) seen at dilute gases or narrow channels. In this study, an event-driven molecular dynamics (EDMD) simulation is proposed to estimate properties of hard-sphere gas flows. Considering molecules as hard-spheres, trajectories of the molecules, collision partners, corresponding interaction times, and postcollision velocities are computed deterministically using discrete interaction potentials. On the other hand, boundary interactions are handled stochastically. Added to that, in order to create a pressure gradient along the channel, an implicit treatment for flow boundaries is adapted for EDMD simulations. Shear-Driven (Couette) and Pressure-Driven flows for various channel configurations are simulated to demonstrate the validity of suggested treatment. Results agree well with DSMC method and solution of linearized Boltzmann equation. At low Kn, EDMD produces similar velocity profiles with Navier-Stokes (N-S) equations and slip boundary conditions, but as Kn increases, N-S slip models overestimate slip velocities.
Mathematics Subject Classification ID: 76N15
zbMATH DE Number: 6927373
Wikidata QID: Q59119646
describes a project that uses: DynamO
MaRDI profile type: Publication
full work available at URL: https://doi.org/10.1155/2015/842837
OpenAlex ID: W2203343064
cites work: Ladder queue
cites work: A complexity O(1) priority queue for event driven molecular dynamics simulations
cites work: Stochastic event-driven molecular dynamics
cites work: Statistical Mechanics of Nonequilibrium Liquids
cites work: Generation of the Maxwellian inflow distribution
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description: scientific article; zbMATH DE number 6927373