Molecular dynamics, smoothed-particle applied mechanics, and irreversibility

AbstractWe explore the relationship of Monaghan's version of “smoothed-particle hydrodynamics,” here called “smoothed-particle applied mechanics,” to nonequilibrium molecular dynamics. We first use smoothed particles to model the simplest possible linear transport problems, as well as a liquid-drop problem. We then consider both gas-phase and dense-fluid versions of Rayleigh-Bénard convection, all in two space dimensions. We also discuss the possibility of combining the microscopic and macroscopic techniques in a hybrid scheme well-suited to the massively-parallel modelling of large-scale nonequilibrium flows