Cerium-lanthanum alloy is widely used in the green energy industry,and the nanoscale smooth surface of this material is in demand.Nanometric cutting is an effective approach to achieving the ultra-precision machining ...Cerium-lanthanum alloy is widely used in the green energy industry,and the nanoscale smooth surface of this material is in demand.Nanometric cutting is an effective approach to achieving the ultra-precision machining surface.Molecular dynamics(MD)simulation is usually used to reveal the atomic-scale details of the material removal mechanism in nanometric cutting.In this study,the effects of cutting speed and undeformed chip thickness(UCT)on cutting force and subsurface deformation of the cerium-lanthanum alloy during nanometric cutting are analyzed through MD simulation.The results illustrate that the dislocations,stacking faults,and phase transitions occur in the subsurface during cutting.The dislocations are mainly Shockley partial dislocation,and the increase of temperature and pressure during the cutting process leads to the phase transformation ofγ-Ce(FCC)intoβ-Ce(HCP)andδ-Ce(BCC).β-Ce is mainly distributed in the stacking fault area,whileδ-Ce is distributed in the boundary area between the dislocation atoms andγ-Ce atoms.The cutting speed and UCT affect the distribution of subsurface damage.A thicker deformed layer including dislocations,stacking faults and phase-transformation atoms on the machined surface is generated with the increase in the cutting speed and UCT.Simultaneously,the cutting speed and UCT significantly affect the cutting force,material removal rate,and generated subsurface state.The fluctuations in the cutting force are related to the generation and disappearance of dislocations.This research first studied the nanometric cutting mechanism of the cerium-lanthanum ally,providing a theoretical basis for the development of ultra-precision machining techniques of these materials.展开更多
A multiscale simulation has been performed to determine the effect of the cutting speed on the deformation mechanism and cutting forces in nanometric cutting of single crystal copper. The multiscale simulation model, ...A multiscale simulation has been performed to determine the effect of the cutting speed on the deformation mechanism and cutting forces in nanometric cutting of single crystal copper. The multiscale simulation model, which links the finite element method and the molecular dynamics method, captures the atomistic mechanisms during nanometric cutting from the free surface without the computational cost of full atomistic simulations. Simulation results show the material deformation mechanism of single crystal copper greatly changes when the cutting speed exceeds the material static propagation speed of plastic wave. At such a high cutting speed, the average magnitudes of tangential and normal forces increase rapidly. In addition, the variation of strain energy of work material atoms in different cutting speeds is investigated.展开更多
Atomic motion and surface formation in the nanometric cutting process ofβ-Sn are investigated using molecular dynamics(MD).A stagnation region is observed that changes the shape of the tool edge involved in nanometri...Atomic motion and surface formation in the nanometric cutting process ofβ-Sn are investigated using molecular dynamics(MD).A stagnation region is observed that changes the shape of the tool edge involved in nanometric cutting,resulting in a fluctuation in the cutting forces.It is found that single-crystal tin releases the high compressive stress generated under the tool pressure through slip and phase transformation.The tin transformation proceeds from aβ-Sn structure to a bct-Sn structure.The effects of the cutting speed,undeformed chip thickness(UCT)and tool edge radius on material removal are also explored.A better surface is obtained through material embrittlement caused by a higher speed.In addition,a smaller UCT and sharper tool edge help reduce subsurface damage.展开更多
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
基金Supported by Science Challenge Project(Grant No.TZ2018006-0201-01)National Natural Science Foundation of China(Grant Nos.51605327 and 52035009).
文摘Cerium-lanthanum alloy is widely used in the green energy industry,and the nanoscale smooth surface of this material is in demand.Nanometric cutting is an effective approach to achieving the ultra-precision machining surface.Molecular dynamics(MD)simulation is usually used to reveal the atomic-scale details of the material removal mechanism in nanometric cutting.In this study,the effects of cutting speed and undeformed chip thickness(UCT)on cutting force and subsurface deformation of the cerium-lanthanum alloy during nanometric cutting are analyzed through MD simulation.The results illustrate that the dislocations,stacking faults,and phase transitions occur in the subsurface during cutting.The dislocations are mainly Shockley partial dislocation,and the increase of temperature and pressure during the cutting process leads to the phase transformation ofγ-Ce(FCC)intoβ-Ce(HCP)andδ-Ce(BCC).β-Ce is mainly distributed in the stacking fault area,whileδ-Ce is distributed in the boundary area between the dislocation atoms andγ-Ce atoms.The cutting speed and UCT affect the distribution of subsurface damage.A thicker deformed layer including dislocations,stacking faults and phase-transformation atoms on the machined surface is generated with the increase in the cutting speed and UCT.Simultaneously,the cutting speed and UCT significantly affect the cutting force,material removal rate,and generated subsurface state.The fluctuations in the cutting force are related to the generation and disappearance of dislocations.This research first studied the nanometric cutting mechanism of the cerium-lanthanum ally,providing a theoretical basis for the development of ultra-precision machining techniques of these materials.
基金supported by National Natural Science Foundation of China(Nos.50675050 and 50705023)Outstanding Youth Science Foundation of Hei-longjiang Province (No.JC200614)
文摘A multiscale simulation has been performed to determine the effect of the cutting speed on the deformation mechanism and cutting forces in nanometric cutting of single crystal copper. The multiscale simulation model, which links the finite element method and the molecular dynamics method, captures the atomistic mechanisms during nanometric cutting from the free surface without the computational cost of full atomistic simulations. Simulation results show the material deformation mechanism of single crystal copper greatly changes when the cutting speed exceeds the material static propagation speed of plastic wave. At such a high cutting speed, the average magnitudes of tangential and normal forces increase rapidly. In addition, the variation of strain energy of work material atoms in different cutting speeds is investigated.
基金by Science Challenge Project(Grant No.TZ2018006-0201-01)National Natural Science Foundation of China(Grant Nos.51605327,51805499)State Administration of Foreign Experts Affairs(Grant No.B07014).
文摘Atomic motion and surface formation in the nanometric cutting process ofβ-Sn are investigated using molecular dynamics(MD).A stagnation region is observed that changes the shape of the tool edge involved in nanometric cutting,resulting in a fluctuation in the cutting forces.It is found that single-crystal tin releases the high compressive stress generated under the tool pressure through slip and phase transformation.The tin transformation proceeds from aβ-Sn structure to a bct-Sn structure.The effects of the cutting speed,undeformed chip thickness(UCT)and tool edge radius on material removal are also explored.A better surface is obtained through material embrittlement caused by a higher speed.In addition,a smaller UCT and sharper tool edge help reduce subsurface damage.
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.