Classical Molecular Dynamics as a Tool for Tribology and Beyond

This talk will give an overview of recent results in fundamental tribological investigations using classical Molecular Dynamics (MD). Starting from questions on the perceived breakdown of continuum theories at the nanoscale, classical MD lends itself naturally as a tool for the length- and time-scales of interest and, as such, was used to probe the definition of contact itself, as well as the nature of atomic scale roughness. The results were compared to well accepted continuum theories and deviations between the two have been analyzed and discussed. With the addition of polymeric molecules at atomistic interfaces, future work focuses on the applicability of hydrodynamic descriptions used, for example, to extract quantities such as the complex viscosity of lubricants using experimental tools such as the surface force apparatus (SFA) or the fiber wobbling method (FWM). Finally, models of the interaction between metallic and polymeric surfaces will be discussed within the context of interfacial bonding for advanced manufacturing applications.