| AVS 61st International Symposium & Exhibition | |
| Tribology Focus Topic | Thursday Sessions |
| Session TR-ThA |
| Session: | Tribology in Unique Environs |
| Presenter: | Marcel Fallet, United States Naval Academy |
| Authors: | M. Fallet, United States Naval Academy K.E. Ryan, United States Naval Academy M. Knippenberg, High Point University P. Mikulski, United States Naval Academy J.A. Harrison, United States Naval Academy |
| Correspondent: | Click to Email |
Tribological studies of C-based materials have come to the forefront of experimental and computational chemistry with applications for microfluidic devices and tip-based nano-manufacturing. The effects of humidity on friction and adhesion of some carbonaceous materials underscore the need to understand underlying mechanisms. Since it is difficult to determine atomic-scale behavior via experimental methods, molecular dynamics simulations have been employed to examine this behavior. Sliding simulations of non-hydrogenated, ultrananocrystalline diamond (UNCD) surfaces in the presence of water using the qAIREBO potential1 have been performed. This reactive, bond-centric potential can model charge in C, H, and O systems. Hybridization changes, cross-sectional distributions of water, charge distributions, and other results will be presented to better understand the tribological impact of water in these systems.