Three-dimensional molecular dynamics simulations are carried out to study the mechanism of nanometric processing of ion implanted monocrystalline silicon surfaces. Lattice transformation is observed during implantatio...Three-dimensional molecular dynamics simulations are carried out to study the mechanism of nanometric processing of ion implanted monocrystalline silicon surfaces. Lattice transformation is observed during implantation and nano-indentation using radial distribution function and geometric criterion damage detection. Nano-indentation is simulated to study the changes of mechanical property. Implantation analysis shows the existence of amorphous phase. Indentation process shows the lattice evolution, which is beneficial for reducing fractures during processing. The indentation results reveal the reduction of brittleness and hardness of the implanted surface. The ion fluence is in direct proportion to the damage, and inverse to the hardness of the material. Experiments of ion implar, tation, nanoindentation, nano-scratching and nanometric cutting were carried out to verify the simulation results.展开更多
Molecular dynamics simulations are employed to study the nanometric machining process of single crystal nickel. Atoms from different machining zones had different atomic crystal structures owing to the differences in ...Molecular dynamics simulations are employed to study the nanometric machining process of single crystal nickel. Atoms from different machining zones had different atomic crystal structures owing to the differences in the actions of the cutting tool. The stacking fault tetrahedral was formed by a series of dislocation reactions, and it maintained the stable structure after the dislocation reactions. In addition, evidence of crystal transition and recovery was found by analyzing the number variations in different types of atoms in the primary shear zone, amorphous region, and crystalline region. The effects of machining speed on the cutting force, chip and subsurface defects, and temperature of the contact zone between the tool and workpiece were investigated. The results suggest that higher the machining speed, larger is the cutting force. The degree of amorphousness of chip atoms and the depth and extent of subsurface defects increase with the machining speed. The average friction coefficient first decreases and then increases with the machining speed because of the temperature difference between the chip and machining surface.展开更多
基金Supported by the National Basic Research Program of China("973" Program,No.2011CB706703)
文摘Three-dimensional molecular dynamics simulations are carried out to study the mechanism of nanometric processing of ion implanted monocrystalline silicon surfaces. Lattice transformation is observed during implantation and nano-indentation using radial distribution function and geometric criterion damage detection. Nano-indentation is simulated to study the changes of mechanical property. Implantation analysis shows the existence of amorphous phase. Indentation process shows the lattice evolution, which is beneficial for reducing fractures during processing. The indentation results reveal the reduction of brittleness and hardness of the implanted surface. The ion fluence is in direct proportion to the damage, and inverse to the hardness of the material. Experiments of ion implar, tation, nanoindentation, nano-scratching and nanometric cutting were carried out to verify the simulation results.
基金supported by the National Natural Science Foundation of China(Grant Nos,51375082)
文摘Molecular dynamics simulations are employed to study the nanometric machining process of single crystal nickel. Atoms from different machining zones had different atomic crystal structures owing to the differences in the actions of the cutting tool. The stacking fault tetrahedral was formed by a series of dislocation reactions, and it maintained the stable structure after the dislocation reactions. In addition, evidence of crystal transition and recovery was found by analyzing the number variations in different types of atoms in the primary shear zone, amorphous region, and crystalline region. The effects of machining speed on the cutting force, chip and subsurface defects, and temperature of the contact zone between the tool and workpiece were investigated. The results suggest that higher the machining speed, larger is the cutting force. The degree of amorphousness of chip atoms and the depth and extent of subsurface defects increase with the machining speed. The average friction coefficient first decreases and then increases with the machining speed because of the temperature difference between the chip and machining surface.
