Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids

Details Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids

2006-10-27

arxiv.org/abs/cond-mat/0610774v1

Physics

Condensed Matter

Soft Condensed Matter

14 pages, 5 figures

Scientific paper

We propose a hybrid model, coupling Lattice Boltzmann and Molecular Dynamics models, for the simulation of dense fluids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The MD and LB formulations communicate via the exchange of velocities and velocity gradients at the interface. We validate the present LB-MD model in simulations of flows of liquid argon past and through a carbon nanotube. Comparisons with existing hybrid algorithms and with reference MD solutions demonstrate the validity of the present approach.

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