Nano-friction behavior and deformation study of hydroxyapatite in ultra-precision polishing process

ContextIn order to study the effect of ultra-precision machining on the surface quality of hydroxyapatite semiconductor materials as well as the material removal mechanism of hydroxyapatite, the mechanical polishing behaviors of hydroxyapatite at different polishing depths were studied by molecular dynamics method. The results show that the subsurface damage of hydroxyapatite increases with increasing polishing depth. The polishing temperature and the polishing force showed a positive correlation with the polishing depth, and the variation of the polishing force was related to the accumulation-release effect of the potential energy of hydroxyapatite material. In addition, the variation of stresses in hydroxyapatite during polishing is mainly influenced by the thermal softening effect. With a smaller polishing depth, the hydroxyapatite semiconductor material has fewer structural defects, fewer atoms undergoing phase transitions, lower surface roughness, and better surface quality. Therefore, to ensure the long-lasting service life of hydroxyapatite semiconductor materials, a small polishing depth should be used in ultra-precision machining. Additionally, this study also provides a theoretical reference for future research on the mechanical properties of hydroxyapatite-based composites.MethodsA Large-Scale Atomic/Molecular Parallel Simulator (LAMMPS) was utilized to perform molecular dynamics simulations. The output was visualized and analyzed by the Open Visualization Tools (OVITO) software. The intermolecular interactions were described by the polymer consistent force-field and the 12/6 Lennard-Jones potential functions. The workpiece was polished under a micro-canonical ensemble with the temperature settled at 300 K. Periodic boundary conditions were adopted and the velocity-Verlet algorithm was used to integrate the atomic motion with a timestep of 0.1 femtoseconds (fs).