Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids
Soft Condensed Matter
2015-06-25 v1
Abstract
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.
Cite
@article{arxiv.cond-mat/0610774,
title = {Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids},
author = {A. Dupuis and E. M. Kotsalis and P. Koumoutsakos},
journal= {arXiv preprint arXiv:cond-mat/0610774},
year = {2015}
}
Comments
14 pages, 5 figures