The slip behavior of simple fluids over atomically smooth surfaces was investigated in a wide range of wall-fluid interaction (WFI) energies at low shear rates using non-equilibrium molecular dynamics simulations. The relationship between slip and WFI shows two regimes (the strong-WFI and weak-WFI regimes): as WFI decreases, the slip length increases in the strong-WFI regime and decreases in the weak-WFI regime. The critical value of WFI energy that separates these regimes increases with temperature, but it remains unaffected by the driving force. The mechanism of slip was analyzed by examining the density-weighted average energy barrier (∆E) encountered by fluid atoms in the first fluid layer (FFL) during their hopping between minima of the surface potential. We demonstrated that the relationship between slip and WFI can be rationalized by considering the effect of the fluid density distribution in the FFL on∆Eas a function of the WFI energy. Moreover, the dependence of the slip length on WFI and temperature is well correlated with the exponential factor exp(−∆E/(kBT)), which also determines the critical value of WFI between the strong-WFI and weak-WFI regimes.
The download link is the publisher version, it is available following the embargo period in the publisher's condition.