ON THE SYSTEM SIZE OF LATTICE BOLTZMANN SIMULATIONS

Author:

MAYER GUSZTÁV1,HÁZI GÁBOR1,PÁLES JÓZSEF1,IMRE ATTILA R.2,FISCHER BJÖRN3,KRASKA THOMAS3

Affiliation:

1. Simulator Development Department, KFKI Atomic Energy Research Institute, H-1525 Budapest, POB 49, Hungary

2. Materials Department, KFKI Atomic Energy Research Institute, H-1525 Budapest, POB 49, Hungary

3. Institut für Physikalische Chemie, Universität zu Köln, Luxemburger Str. 116, D-50939 Köln, Germany

Abstract

In lattice Boltzmann simulations particle groups — represented by scalar velocity distributions — are moved on a finite lattice. The size of these particle groups is not well-defined although it is crucial to assume that they should be big enough for using a continuous distribution. Here we propose to use the liquid–vapor interface as an internal yardstick to scale the system. Comparison with existing experimental data and with molecular dynamics simulation of Lennard–Jones-argon shows that the number of atoms located on one lattice site is in the order of few atoms. This contradicts the initial assumption concerning the number of particles in the group, therefore seems to raise some doubts about the applicability of the lattice Boltzmann method in certain problems whenever interfaces play important role and ergodicity does not hold.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

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