Abstract: Molecular dynamics simulation was used to study the nanometric machining process of single crystal nickel. The change rule of cutting force showed that the violent fluctuation of cutting force at initial stage is closely related to the generation of large stacking faults. The cutting tools with different rake angles were applied to conduct a series of simulations， the results showed that cutting force and the friction coefficient between rake face and chip decrease gradually with the increase of rake angle. The push and overall bending of chip decrease， and the chip height and the perfect FCC atom ratio gradually increase due to the increase of rake angle. The defect atom number decreases， as well as the damage depth of workpiece subsurface. In the process of machining with negative rake angle tool， the subsurface damage of workpiece is more serious， and the stacking fault tetrahedral structure and the LC dislocation are generated in workpiece subsurface. Meanwhile， the number of high temperature atoms decrease with the increase of rake angle， and the temperature distribution of the workpiece radiates from the tool corner to the workpiece.

Key words: molecular dynamics, single crystal nickel, cutting force, rake angle, subsurface damage