粗糙微通道内液体流动的多尺度耦合模拟

he molecular dynamics(MD) and the finite volume method(FVM) multiscale coupling algorithm is carried out to study the liquid Poiseuille flow through a nanochannel with wall roughness. The effects of the roughness height, the number of roughness elements and the roughness geometrical shape on the velocity values in the whole channel and the slip boundary condition are investigated. The results show that the increase of the height results in a reduction of velocity as well as a reduction of the relative slip length near the rough wall. Both the increase of the number of roughness elements and the increase of the atom numbers of roughness elements with different shape result in a reduction of the relative slip length, but have little effects on the velocity values. In general, the height is the most important factor affecting flow in the nanochannel among the three parameters studied.