HYDRODYNAMIC BOUNDARY-CONDITIONS FOR CONFINED FLUIDS VIA A NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATION

A nonequilibrium molecular dynamics algorithm is employed to study a f luid confined between two immobile walls. The linear response theory o f Bocquet and Barrat [Phys. Rev. E 49, 3079 (1994)] is used to relate phenomenological parameters, which determine the boundary conditions o f the interface, to averages over microscopic quantities that can be o btained directly from the simulation. The parameters, which characteri ze ''stick'' or ''slip'' behavior and the thickness of the immobile fl uid layer at the boundaries, have been determined for a model system: namely, a soft-sphere fluid interacting with corrugated walls. (C) 199 6 American Institute of Physics.