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Mathematical Problems in Engineering
Volume 2015 (2015), Article ID 842837, 12 pages
Research Article

Event-Driven Molecular Dynamics Simulation of Hard-Sphere Gas Flows in Microchannels

1Department of Energy Systems Engineering, Muğla Sıtkı Koçman University, 48100 Muğla, Turkey
2Department of Mechanical Engineering, Gebze Technical University, Gebze, 41400 Kocaeli, Turkey

Received 20 July 2015; Accepted 1 December 2015

Academic Editor: Manfred Krafczyk

Copyright © 2015 Volkan Ramazan Akkaya and Ilyas Kandemir. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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.