Asymmetric response of transition metal cationic orbitals to applied electric field.

Understanding the quantum mechanical mechanisms underlying atomic/ionic interfacial processes and phenomena, particularly their dependence on the electronic orbital rearrangement of atoms/ions in an external electric field, remains a significant challenge. This study investigated the asymmetric response of transition metal (TM) cationic orbitals when subjected to an applied electric field. Quantum mechanical calculations were employed to quantify the newly formed hybrid orbitals and evaluate the corresponding orbital energies of the TM cations. Analysis of the quantitative contribution of asymmetric orbital hybridization to TM-surface interactions showed a significant change in orbital energy and increased effective charges of TM cations at the charged surface. This asymmetric response, induced by a negative external electric field generated from the structural charges of clay minerals (e.g., montmorillonite), repels electrons from the outer-shell orbital. This repulsion consequently increases the electron binding energy of the inner-shell orbitals, leading to new surface reactions, polarization-enhanced induction force, and polarization-induced covalent bonding between the TM cations and the charged surface. Our theoretical predictions regarding TM-clay mineral interactions are consistent with the experimental observations of TM cation adsorption. This finding has significant implications for the adsorptive removal of TM cations from wastewaters and for enhancing the catalytic efficiency of TM-surface catalysts. The unique physical and chemical characteristics exhibited by TMs at charged particle surfaces, resulting from their asymmetric response, can play pivotal roles in environmental and chemical engineering.

Material removal and surface damage in high-speed grinding of enamel.

Although high-speed grinding of the enamel surface is often required in restorative dentistry, the knowledge of grinding mechanics, material removal, and fracture damage mechanism related to this process is still relatively limited; therefore, it is important to perform relevant scientific and theoretical research. As per the occlusal surface and the buccal/lingual surface of the teeth, the experimental scheme of high-speed grinding of the enamel surface using a diamond grinding bur was designed, and the grinding force, force ratio, grinding temperature, chips, surface morphology, surface damage, and other important characteristics were tested and analyzed. Furthermore, the grinding geometry model, grinding mechanics, material fracture, and removal mechanism associated with the high-speed grinding of an enamel surface were considered. The results show that the grinding force, friction coefficient, grinding temperature, and surface damage achieved through buccal/lingual surface grinding are considerably greater, and the grinding quality is worse than that obtained via occlusal surface grinding under the same grinding conditions. With the increase in the feed rate, grinding force, friction coefficient, grinding temperature, and surface damage obviously increase, and the surface quality decreases. The embrittlement effect and the ironing mechanism are present during the process of high-speed grinding of enamel. Regardless of the feed rate, the three types of material fracture modes of the buccal/lingual surface are more serious than those of the occlusal surface (making it more likely to produce unstable large chips or tearing chips); moreover, the brittle fracture and damage of the final machined surface are more obvious. The cutting mechanics and cutting mechanism identified in this study will provide scientific guidance for dental grinding operations.

Machinability of high-speed enamel cutting with carbide bur.

The cutting of tooth enamel using a high-speed air-turbine handpiece and carbide bur is a key procedure in oral surgeries, such as the minimally invasive extraction. However, presently little is known about the cutting mechanics and material removal mechanism related to tooth enamel machinability. In this study, the machinability of high-speed enamel cutting with carbide bur is studied by a computer-aided numerical control system. The dynamic cutting forces of enamel of the occlusal, buccal/lingual, and proximal surfaces were measured by the force measuring system. The force ratio, cutting torque, rotating speed, specific cutting energy, and bur wear were analyzed. The microstructure of enamel and carbide burs was observed by the scanning electron microscope, and the relationship between enamel microstructures and machinability was further analyzed. The results show that during the high-speed enamel cutting with carbide bur, the chip thickness is on the nano-scale, and the plastic deformation of the machined surface is obvious. With increased material removal rate, the cutting force, torque, specific cutting energy, and bur wear increases accordingly, whereas the rotating speed decelerates (p < 0.05). The different angles between the cutting direction and the axial direction of the enamel rods give rise to the large differences in the cutting mechanics and mechanism of the proximal, buccal/lingual, and occlusal surfaces of the teeth. When the cutting direction is parallel, vertical, and oblique 45° to the axial direction of the enamel rods, the force required for material fracture and crack propagation increases, and the cutting force increases as a consequence. Parallel and oblique 45° cutting are the main modes of tooth segmentation in the minimally invasive extraction. In comparison with the parallel cutting mode, the cutting force, torque, and cutting ratio of the oblique 45° cutting mode can be significantly increased, and the tool wear is obviously accelerated. This is the lowest priority in segmentation surgery, hence the problems of overload and temperature rise need to be considered. The cutting mechanics and cutting mechanism obtained in this study will provide scientific process guidance for dental cutting operations with the air-turbine handpiece driving bur.