Coupling lattice Boltzmann and molecular dynamics models for dense fluids.
Phys Rev E Stat Nonlin Soft Matter Phys
; 75(4 Pt 2): 046704, 2007 Apr.
Article
em En
| MEDLINE
| ID: mdl-17501013
ABSTRACT
We propose a hybrid model, coupling lattice Boltzmann (LB) and molecular dynamics (MD) 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 two- and three-dimensional 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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Base de dados:
MEDLINE
Idioma:
En
Revista:
Phys Rev E Stat Nonlin Soft Matter Phys
Assunto da revista:
BIOFISICA
/
FISIOLOGIA
Ano de publicação:
2007
Tipo de documento:
Article
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Suíça