Changli Yi

Changing the wettability and surface texturing have a significant impact on lubrication. In this study, the researchers used the molecular dynamics method to investigate how adjusting the interaction between alkanes and the wall affects oil film morphology and frictional properties under boundary lubrication. The findings revealed that the bearing capacity was influenced by both the morphology of the oil film and the strength of solid–liquid adsorption. In cases where the walls had weak wettability, the alkanes formed clusters to effectively separate the walls, while in cases where the walls had strong wettability, the oil film spread and formed a strong adsorption film. The super oleophilic textured surface could enhance the oil film adsorption capacity and replenish the oil film to the friction area in time, and the super oleophobic smooth surface could further reduce the friction coefficient. Therefore, a composite surface consisting of a super oleophilic textured surface and a super oleophobic smooth surface can be designed to enhance the bearing capacity of the oil film and reduce friction.

MoS₂ exhibited excellent bearing capacity, and a large-area of MoS₂ coated on the asperity surface could effectively prevent asperity contact, reduce friction coefficient and wear.

Deformation of MoS₂ layers directly leads to decrease in potential and ultimately leads to decrease in friction coefficient.

Experiments and simulations have shown that molybdenum disulfide (MoS ₂ ) has unique mechanical and electrical properties that make it promising for application as a flexible material in microscopic and nanoscopic electronic devices. In this paper, the molecular dynamics method is used to study the mechanical properties of multilayer MoS ₂ during compression and stretching under different intra-layer and inter-layer potentials to choose the most suitable ones. The results show that the increase in the inter-layer repulsive force during compression was all provided by sulfur atoms in the adjacent layer. The two intra-layer potentials represented two forms of tensile fracture: plastic fracture with structural holes or lattice distortions, and brittle fracture with instantaneous destruction. The chosen inter-layer potential had a significant influence on the structure of the multilayer MoS ₂ but the effect of inter-layer potential during stretching was not prominent. By comparing these results with reference values, the most suitable intra-layer and inter-layer potentials for the multilayer MoS ₂ were selected, and can serve as a reliable reference for subsequent simulations.