Name
Title | ||
|---|---|---|
Coupling MD particles to a lattice-Boltzmann fluid through the use of conservative forces |
Abstract | ||
|---|---|---|
We propose a new method for coupling both point and composite MD particles to a lattice-Boltzmann fluid. This coupling is implemented through the use of conservative forces, calculated by assuming elastic collisions between the particles and the fluid, thereby eliminating the need for any adjustable coupling constants. With the implementation of a mass and momentum conserving thermal lattice-Boltzmann method, the fluid acts as a heat bath for the MD particles without the need for external Langevin noise. We demonstrate the effectiveness of this method using a variety of simple, well known flow problems. In addition, by studying the velocity autocorrelation function, we are able to validate the fluctuation-dissipation theorem for the algorithm. |
Year | DOI | Venue |
|---|---|---|
2013 | 10.1016/j.jcp.2012.11.038 | J. Comput. Physics |
Keywords | Field | DocType |
md particle,fluid act,lattice-boltzmann fluid,external langevin noise,coupling md particle,thermal lattice-boltzmann method,elastic collision,new method,adjustable coupling constant,composite md particle,conservative force,lattice boltzmann method,hydrodynamics,molecular dynamics | Coupling constant,Coupling,Lattice Boltzmann methods,Momentum,Molecular dynamics,Elastic collision,Classical mechanics,Physics,Conservative force,Autocorrelation | Journal |
Volume | ISSN | Citations |
237, | 0021-9991 | 2 |
PageRank | References | Authors |
0.52 | 0 | 2 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| F. E. Mackay | 1 | 2 | 1.20 |
| C. Denniston | 2 | 2 | 0.52 |