Three-dimensional molecular dynamics analysis of processing using a pin tool on the atomic scale

A three-dimensional model of molecular dynamics (MD) is proposed to study the effects of tool geometry and processing resistance on the atomic-scale cutting mechanism. The model includes the utilization of the Morse potential function to simulate the interatomic force between the workpiece and a tool. The results show that the cutting resistance increases with the angle of the pin tool and the depth of cut, and the cutting force is essentially constant over the range of velocities simulated. In addition, the obtained cutting resistance of present MD simulation exhibits an evident relationship to the ratio of the vertical and the horizontal contact area between the tool and the workpiece within the range of a pin angle of 90-150°. Finally, work hardening and stick-slip phenomena during the process are also observed.