EFFECTS OF ATOMISTIC DOMAIN SIZE ON HYBRID LATTICE BOLTZMANN–MOLECULAR DYNAMICS SIMULATIONS OF DENSE FLUIDS

A. Dupuis () and P. Koumoutsakos ()
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A. Dupuis: Computational Science and Engineering Laboratory, ETH Zurich, CH-8092, Switzerland
P. Koumoutsakos: Computational Science and Engineering Laboratory, ETH Zurich, CH-8092, Switzerland

International Journal of Modern Physics C (IJMPC), 2007, vol. 18, issue 04, 644-651

Abstract: We present a convergence study for a hybrid Lattice Boltzmann-Molecular Dynamics model for the simulation of dense liquids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The velocity field from the atomistic domain is introduced as forcing terms to the Lattice Boltzmann model of the continuum while the mean field of the continuum imposes mean field conditions for the atomistic domain. In the present paper we investigate the effect of varying the size of the atomistic subdomain in simulations of two dimensional flows of liquid argon past carbon nanotubes and assess the efficiency of the method.

Keywords: Lattice Boltzmann model; Molecular Dynamics; nanofluidics; multiscale; 67.55.Hc; 61.46.Fg; 61.20.Ja; 68.65.-k (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1142/S0129183107010899

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