Hybrid molecular dynamics and continuum mechanics analysis of thin film lubrication

Optimism exists in scientific circles that the mechanisms of friction and boundary lubrication, studied for centuries, can soon be understood and predicted by first principles. However, from the engineering point of view, practical predictive ability seems far away. Toward the eventual goal of applying MD analysis to practical tribological design, we continue our work on a hybrid molecular dynamics - continuum method. Similar approaches have been used in simulating dislocations and other defects in crystalline solids under nanoindenting. Our linkage to MD is established through a variable effective viscosity, which increases near the surfaces due to molecular forces. The classical line contact problem of a rigid cylinder and a sliding plane is addressed. Results are presented showing an increase in pressure due to the presence of nearby surfaces.