Paper Info
Title
The Hydrodynamic Radius of Particles in the Hybrid Lattice Boltzmann-Molecular Dynamics Method.
Abstract
We address the problem of the consistency of different measures of the hydrodynamic radius of solid point and composite solute particles incorporated into the hybrid lattice Boltzmann-molecular dynamics (LBMD) multiscale method. The coupling between the fluid and the particle phase is naturally implemented through a Stokesian type of frictional force proportional to the local velocity difference between the two. Using deterministic flow tests such as measuring the Stokes drag, hydrodynamic torques, and forces we first demonstrate that in this case the hydrodynamic size of the particles is ill-defined in the existing LBMD schemes. We then show how it is possible to effectively achieve the no-slip limit in a discrete simulation with a finite coefficient of the frictional force by demanding consistency of all these measures, but this requires a somewhat modified LB algorithm for numerical stability. Having fulfilled the criteria, we further show that in our consistent coupling scheme particles also obey the macroscopically observed fluctuation-dissipation theorem for the diffusion coefficient of a single particle without any adjustable parameters. In addition, we explicitly show that diffusion alone is not a good criterion for calibration of the frictional coupling.
Year
DOI
Venue
2013
10.1137/110858756
MULTISCALE MODELING & SIMULATION
Keywords
Field
DocType
hydrodynamics,complex fluids,hydrodynamic consistency,limit of impermeability
Stokes' law,Coupling,Lattice (order),Lattice Boltzmann methods,Mechanics,Complex fluid,Molecular dynamics,Classical mechanics,Particle,Mathematics,Numerical stability
Journal
Volume
Issue
ISSN
11
1
1540-3459
Citations 
PageRank 
References 
1
0.48
0
Authors
4
Name
Order
Citations
PageRank
Santtu T. T. Ollila110.48
Christopher J. Smith210.48
Tapio Ala-Nissila310.82
Colin Denniston442.97