Computational Nanotribology of Nanometer Confined Liquid Films.

摘要

The authors have performed extensive computational molecular dynamics simulations to study the structure and dynamics of nanometer confined liquid films between solid surfaces. A specific computational tool, namely, the liquid-vapor molecular dynamics (LVMD) was developed. They revealed repulsive hydration force mechanism and load bearing capacity of aqueous electrolytes between two charged surfaces. They also studied the force oscillation and liquid-to-solid phase transition mechanisms of nonpolar simple fluids under confinement. A new principle of stick-slip friction and energy dissipation mechanism was also developed through this project.