Title: Prediction of 3-D nano-mesh flows by a micro-flow LBM and its evaluation against MD simulations

Authors: K. Suga, S. Takenaka, T. Kinjo, S. Hyodo

Addresses: Department of Mechanical Engineering, Osaka Prefecture University, Sakai 599-8531, Japan. ' Department of Mechanical Engineering, Osaka Prefecture University, Sakai 599-8531, Japan. ' Computational Physics Lab., Toyota Central R&D Labs., Inc., Aichi 480-1192, Japan. ' Computational Physics Lab., Toyota Central R&D Labs., Inc., Aichi 480-1192, Japan

Abstract: In this paper, a Lattice Boltzmann Method (LBM) is evaluated for three-dimensional (3-D) continuum to non-continuum transitional flow regimes, and its performance for flows in a nano-porous medium is discussed. The equations used in the LBM are modified Lattice Boltzmann Equations (LBEs) introducing the diffuse-scattering wall boundary condition and a Knudsen number dependent relaxation-time along with the regularisation procedure. The evaluation is carried out by comparing the results with those of the Molecular Dynamics (MD) simulation. The results of the flows at Knudsen numbers Kn = 0.1 and 0.2 show good agreement in both simulations and confirm the reliability of the LBM.

Keywords: LBM; lattice Boltzmann method; molecular dynamics; simulation; microscale flow; nanomesh flows; nanoporous media; diffuse scattering wall boundary; relaxation time; regularisation.

DOI: 10.1504/PCFD.2011.041013

Progress in Computational Fluid Dynamics, An International Journal, 2011 Vol.11 No.3/4, pp.139 - 148

Published online: 28 Jun 2011 *

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