Molecular simulations for complex boundary lubrication

Molecular simulation approach for boundary lubrication is presented. We report two phenomena. The first topic is Friction Fade Out phenomena. Reax Force Field is used to treat the chemical reaction and friction dynamics between ZrO2 and diamond like carbon. We found the first step reaction of the formation process of the growth of transfer layer. The second topic is the first step of the formation of organic monolayer. We found that the effect of base oil is important in this process, which is different from "chain matching" idea. Other simulation technique is also discussed briefly.