| AVS 55th International Symposium & Exhibition | |
| Tribology Focus Topic | Wednesday Sessions |
| Session TR+NS+EM+NC-WeA |
| Session: | Nanotribology and Nanomechanics |
| Presenter: | J.A. Harrison, United States Naval Academy |
| Authors: | J.A. Harrison, United States Naval Academy J.D. Schall, United States Naval Academy G. Gao, United States Naval Academy M.T. Knippenberg, United States Naval Academy P.T. Mikulski, United States Naval Academy |
| Correspondent: | Click to Email |
The classical reactive empirical bond-order potentials have been used to model a wide range physical and chemical processes in covalent materials. Despite the many successes of these potentials, they are not able to model all properties of materials equally well nor are they able to model systems where intermolecular interactions are important. For hydrocarbons, intermolecular forces can be modeled using an adaptive algorithm as is used in the AIREBO potential. We will briefly discuss our recent efforts to add additional elements, such as Si, to the second-generation REBO formalism, thereby extending the types of materials which can be modeled with these potentials. In addition, we will also briefly discuss the parameterization of additional atom types for the AIREBO formalism. The majority of the talk will focus on recent simulations that have examined atomic-scale friction and wear of diamondlike carbon (DLC) and doped DLC. Work supported by The Office of Naval Research and The Air Force Office of Scientific Research as part of the Extreme Friction MURI & the Tribology Program.