Daniele Savio

A Model for Wall Slip Prediction of Confined n-Alkanes: Effect of Wall-Fluid Interaction Versus Fluid Resistance

It is shown via molecular dynamics simulations that the occurrence of wall slip for linear alkanes confined between geometrically smooth surfaces depends on the wall-fluid interactions and the chain length of the lubricant molecules. A wall slip model based on the competition between these two factors is introduced. A surface parameter accounts for the wall-fluid interaction and commensurability, and is valid for both canonical and complex crystal lattices: this quantity is then linked to the shear stress transferred to the fluid molecules. The lubricant internal cohesion under confinement is described by a bulk viscosity term. Finally, a semi-analytical law for wall slip prediction including both the fluid viscosity and the surface characterization parameter is proposed.

A Molecular Dynamics Study of the Transition from Ultra-Thin Film Lubrication Toward Local Film Breakdown

The transition from ultra-thin lubrication to dry friction under high pressure and shear is studied using molecular dynamics: the quantity of lubricant in the confined film is progressively reduced toward solid-body contact. A quantized layer structure is observed for n-alkanes confined between smooth, wettable walls, featuring an alternation of well-layered, low friction configurations, and disordered ones, characterized by high friction, and heat generation. The molecular structure influences the ordering of the fluid and the resulting shear stress. In fact, Lennard-Jones fluids are characterized by low friction due to the absence of interlayer bridges, opposed to the always entangled states and high shear stresses for branched molecules. Surface geometry and wettability also affect the behavior of the confined lubricant. The presence of nanometer-scale roughness frustrates the ordering of the fluid molecules, leading to high friction states. Furthermore, local film breakdown can be observed when the asperities come into contact, with strong wall–wall interactions causing the maximum in shear stress. Finally, friction is limited to a small, constant value by the presence of smooth, non-wettable surfaces in the system due to the occurrence of wall slip.

From Full Film Lubrication to Local Film Breakdown: A Molecular Dynamics Approach

Reduction of the oil quantity in lubricated contacts Film thickness decreases Transition from full-film lubrication to solid body contact Mixed lubrication regime What happens in the contact zones? Molecular Dynamics modeling of local film breakdown Frictional behavior of the last fluid layers under shear Influence of nano-roughness on the walls