Nanomechanical and tribological responses of semiconductor/gate oxide interfaces have been demonstrated to significantly affect the performance of devices. Here, we use classical molecular dynamics (MD) simulations to investigate these responses at the atomic scale. The simulations utilize the variable charge, empirical charge optimized many-body (COMB) potential to describe the surface interactions and mechanical responses occurring within differing contacting interfaces. In particular, the mechanical response during nanoindentation and nanoscratching of a Si tip on SiO2 and HfO2 thin films is investigated to determine the influence of thin film structure and type on the measured properties as a function of normal load. In addition, the responses of crystalline and amorphous Si/SiO2 sliding contacts are examined and the impact of operating environment and interfacial charge transfer on the tribological properties is explored.

This work is supported by the Office of Naval Research (N000141010165) and the National Science Foundation (DMR-1005779).