Computer simulation of liquids
Computer simulation of liquids
The Art of Molecular Dynamics Simulation
The Art of Molecular Dynamics Simulation
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We report a nonequilibrium molecular dynamics simulation of a three dimensional micro-Poiseuille flow in Knudsen regime. A microchannel with atomically rough surface has been studied. The influence of gravity force, surface roughness, surface wetting condition and wall density was investigated. The surface roughness is constructed by atomic excrescences with random pattern. The results indicate that the no-slip condition can be observed for Knudsen flow when the surface is rough. The roughness showed to be a dominant parameter as far as the slip of fluid is concerned. The surface wetting condition influenced the velocity profiles substantially. The results indicate a non-monotonic variation of slip length with wall density.