Frictional properties of MoS on a multi-level rough wall under starved lubrication.

Owing to nano-MoS's excellent anti-friction and anti-wear properties, nano-MoS, which can act as a nano-additive in lubricating oil or solid lubricants, is believed to have great potential in the lubrication of power machinery and moving parts of a spacecraft. The molecular dynamics method was used to construct a rough surface and a multi-level asperity structure to simulate starved lubrication before oil film breakdown, and the lubrication mechanism of MoS as a nano-additive or directly coated on the textured surface could reduce the friction coefficient and wear was explained from the atomic perspective. Simulations showed that the multilayer MoS played a role of load-bearing at light load or low velocity, and slipped into the grooves to repair the surface under heavy load or high velocity.

A study of how solid-liquid interactions affect flow resistance and heat transfer at different temperatures based on molecular dynamics simulations.

Non-equilibrium molecular dynamics simulations of liquid flow through the surface were performed to investigate the flow resistance and thermal resistance under conditions of different solid-liquid interactions and surface temperatures. A novel phenomenon was observed in the simulation, namely the rise of surface temperature increases the flow resistance when solid-liquid interaction is weak, but decreases the flow resistance when solid-liquid interaction is strong. A higher density of the boundary layer brings a larger friction force to increase the flow resistance.

Molecular dynamics study of the frictional properties of multilayer MoS.

To reveal the friction mechanism of molybdenum disulfide (MoS), the frictional properties of multilayer MoS lubrication film were studied under variable loads and shearing velocities by the molecular dynamics (MD) method. The results showed irreversible deformation of MoS was caused by heavy load or high shear velocity during the friction process and the interlayer velocity changed from a linear to a ladder-like distribution; thus, the number of shear surfaces and the friction coefficient decreased. The low friction coefficient caused by heavy load or high velocity could be maintained with a decrease in load or velocity.

Molecular dynamics study on the mechanical properties of multilayer MoS under different potentials.

Experiments and simulations have shown that molybdenum disulfide (MoS) 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 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.