| AVS 60th International Symposium and Exhibition | |
| Tribology Focus Topic | Monday Sessions |
| Session TR+AS-MoM |
| Session: | Bridging Scales and Characterization |
| Presenter: | J.A. Harrison, United States Naval Academy |
| Authors: | J.A. Harrison, United States Naval Academy K.E. Ryan, United States Naval Academy P.L. Keating, United States Naval Academy J.D. Schall, Oakland University K.T. Turner, University of Pennsylvania D.S. Grierson, systeMECH, LLC R.W. Carpick, University of Pennsylvania V. Vahdat, University of Pennsylvania T.D.B. Jacobs, University of Pennsylvania |
| Correspondent: | Click to Email |
Molecular dynamics (MD) simulations are unique in their ability to elucidate atomic-scale phenomena because the positions, velocities, and forces of all atoms in the system are known as a function of time. We have performed complementary atomic force microscope (AFM) experiments and MD simulations aimed at examining adhesion, friction, and wear in diamond, ultrananocrystalline diamond (UNCD), and amorphous carbon (a-C:H) materials. Atomic-scale wear in nanoscale contacts is of particular importance for tip-based nanomanufacturing applications. In this paper, we examine the normal contact of a-C:H and UNCD axisymmetric tips with diamond, UNCD and a-C:H substrates. Adhesion and wear as a function of material, surface termination, impact point, and roughness were all examined. Results from the MD simulations were compared, and lend insight into, complementary AFM experiments. In addition, separate sets of MD simulations were performed using two different potential energy functions. The AIREBO potential is a bond-order potential that contains intermolecular interactions that was developed to model bond-breaking and bond-making processes. Results obtained using the AIREBO potential will be compared results obtained using the recently developed REBO+S potential. The REBO+S potential differs from the AIREBO potential in that alterations were made to the REBO potential cutoff distances, which alters the forces required to make and break bonds. Differences in adhesion and wear events obtained using the two different potentials with identical material pairs will be quantified. Supported by the National Science Foundation