A thermokinetic model of friction in molybdenum disulfide (MoS₂)

Molybdenum disulfide (MoS₂) is a lamellar compound with a long history of use as a solid lubricant due to its ability to significantly reduce friction. The compound’s lamellar structure, with weak inter-lamellar bonding, can result in both commensurate and incommensurate contacts that significantly affect the sliding properties of MoS₂, and directly affect the friction. We present results of detailed molecular dynamics calculations of energy barriers to sliding and rotation, and discuss how these barriers relate to macroscopic friction coefficients.