Event-driven molecular dynamics simulation of hard-sphere gas flows in microchannels
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.
- Multiscale simulation of non-isothermal microchannel gas flows
- LATTICE BOLTZMANN METHOD FOR SIMULATING GAS FLOW IN MICROCHANNELS
- Gas flow in microchannels -- a lattice Boltzmann method approach
- Application of event-driven molecular dynamics approach to rarefied gas dynamics problems
- Monte Carlo simulations of dense gas flow and heat transfer in micro- and nano-channels
- Gas mixing in microchannels using the direct simulation Monte Carlo method
- Statistical simulation of rarefied gas flows in micro-channels.
- Numerical simulations of gas-dynamic conductivity of microchannels with allowance for their surface structure
- Simulation of gas flow in microchannels with a sudden expansion or contraction
- A complexity O(1) priority queue for event driven molecular dynamics simulations
- Generation of the Maxwellian inflow distribution
- Ladder queue: an O(1) priority queue structure for large-scale discrete event simulation
- Statistical Mechanics of Nonequilibrium Liquids
- Stochastic event-driven molecular dynamics
- A combined event-driven/time-driven molecular dynamics algorithm for the simulation of shock waves in rarefied gases
- Three-dimensional simulation of a high-velocity body motion in a tube with rarefied gas
- Application of event-driven molecular dynamics approach to rarefied gas dynamics problems
- Density distribution for a dense hard-sphere gas in micro/nano-channels: analytical and simulation results
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