Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid

F.E. Mackay, S.T.T. Ollila,C. Denniston

Computer Physics Communications(2013)

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摘要
Long-range hydrodynamic interactions have been implemented into the open-source molecular dynamics package, LAMMPS, though the creation of a fix, lb_fluid. These interactions are treated by interpolating the MD particle density onto a discrete lattice, which is then coupled to the fluid. A thermal lattice-Boltzmann algorithm is used to model the fluid, which includes mass and momentum conserving noise, providing a thermostat for both the particles and the fluid.
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关键词
Lattice-Boltzmann algorithm,Molecular dynamics,Hydrodynamics
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