Analysis of Nanoscratch Mechanism of C-Plane Sapphire with the Aid of Molecular Dynamics Simulation of Hcp Crystal

In this study, single groove nanoscratch experiments using a friction force microscope (FFM) with a monocrystalline diamond tip were conducted on a c-plane sapphire wafer to analyze the ductile-regime removal and deformation mechanism including the anisotropy. Various characteristics, such as scratch force, depth, and specific energy for each representative scratch direction on the c-plane of sapphire, were manifested by the FFM, and the results of the specific scratch energy showed a trend of six-fold symmetry on taking lower values than those of the other scratch directions when the scratch directions correspond to the basal slip directions as . Since this can be due to the effect of most probably basal slip or less probably basal twinning on the c-plane, a molecular dynamics (MD) simulation of zinc, which is one of the hexagonal close-packed (hcp) crystals with similar slip/twining systems, was attempted to clarify the phenomena. The comparison results between the nanoscratch experiment and the MD simulation revealed that both the specific scratch energy and the burr height were minimized when scratched in the direction of the basal slip. Therefore, it was found that both the machining efficiency and the accuracy could be improved by scratching in the direction of the basal slip in the single groove nanoscratch of c-plane sapphire.

Nanoscale Simulations of Wear and Viscoelasticity of a Semi-Crystalline Polymer

We investigate the underlying tribological mechanisms and running-in process of a semi-crystalline polymer using molecular-dynamics simulations. We subject a slab of simulated polyvinyl alcohol to a sliding contact asperity resembling a friction force microscope tip. We study the viscoelastic response of the polymer to the sliding and show both plastic and elastic contributions to the deformation, with their relative strength dependent on the temperature. As expected, the elastic deformation penetrates deeper into the surface than the plastic deformation. Directly under the tip, the polymer has a tendency to co-axially align and form a layered structure. Over time, the plastic deformation on and near the surface builds up, the friction decreases, and the polymers in the top layer align with each other in the sliding direction (conditioning).