Slip due to kink propagation at the liquid–solid interface

In Couette flow, the liquid atoms adjacent to a solid substrate may have a finite average tangential velocity relative to the substrate. This so-called slip has been observed frequently. However, the particular molecular-level mechanisms that give rise to liquid slip are poorly understood. It is often assumed that liquid slip occurs by surface diffusion whereby atoms independently move from one substrate equilibrium site to another. We show that under certain conditions, liquid slip is due not to singular independent molecular motion, but to localized nonlinear waves that propagate at speeds that are orders of magnitude greater than the slip velocity at the liquid–solid interface. Using non-equilibrium molecular dynamics simulations, we find the properties of these waves and the conditions under which they are to be expected as the main progenitors of slip. We also provide a theoretical guide to the properties of these nonlinear waves by using an augmented Frenkel–Kontorova model. The new understanding provided by our results may lead to enhanced capabilities of the liquid–solid interface, for heat transfer, mixing, and surface-mediated catalysis.