Effect of Compressive Prestrain on the Anti-Pressure and Anti-Wear Performance of Monolayer MoS(2): A Molecular Dynamics Study

The effects of in-plane prestrain on the anti-pressure and anti-wear performance of monolayer MoS(2) have been investigated by molecular dynamics simulation. The results show that monolayer MoS(2) observably improves the load bearing capacity of Pt substrate. The friction reduction effect depends on the deformation degree of monolayer MoS(2). The anti-pressure performance of monolayer MoS(2) and Pt substrate is enhanced by around 55.02% when compressive prestrain increases by 4.03% and the anti-wear performance is notably improved as well. The improved capacities for resisting the in-plane tensile and out-of-plane compressive deformation are responsible for the outstanding lubrication mechanism of monolayer MoS(2). This study provides guidelines for optimizing the anti-pressure and anti-wear performance of MoS(2) and other two-dimension materials which are subjected to the in-plane prestrain.