Event-Driven Molecular Dynamics Simulation of Hard-Sphere Gas Flows in Microchannels
Joint Authors
Akkaya, Volkan Ramazan
Kandemir, Ilyas
Source
Mathematical Problems in Engineering
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-12, 12 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-12-16
Country of Publication
Egypt
No. of Pages
12
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Akkaya, Volkan Ramazan& Kandemir, Ilyas. 2015. Event-Driven Molecular Dynamics Simulation of Hard-Sphere Gas Flows in Microchannels. Mathematical Problems in Engineering،Vol. 2015, no. 2015, pp.1-12.
https://search.emarefa.net/detail/BIM-1074873
Modern Language Association (MLA)
Akkaya, Volkan Ramazan& Kandemir, Ilyas. Event-Driven Molecular Dynamics Simulation of Hard-Sphere Gas Flows in Microchannels. Mathematical Problems in Engineering No. 2015 (2015), pp.1-12.
https://search.emarefa.net/detail/BIM-1074873
American Medical Association (AMA)
Akkaya, Volkan Ramazan& Kandemir, Ilyas. Event-Driven Molecular Dynamics Simulation of Hard-Sphere Gas Flows in Microchannels. Mathematical Problems in Engineering. 2015. Vol. 2015, no. 2015, pp.1-12.
https://search.emarefa.net/detail/BIM-1074873
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1074873