Molecular dynamics simulation has become the main analysis method of ultra precision machining of various materials. In this research, molecular dynamics method was used to explore the influence of nanocutting parameters on amorphous atoms, atomic coordination numbers, atomic strain and dislocations of AISI M2 workpiece. LAMMPS was used to construct the molecular dynamics model for CBN tool cutting AISI M2. The polycrystalline model of the workpiece contained 12 grains and iron, chromium and tungsten atoms. The polycrystalline model of the tool contained 3 grains and boron and nitrogen atoms. Tersoff, EAM, Morse and L-J potential energy functions were used to characterize the interaction between atoms. The following results were obtained through 8 groups of simulation experiments: (1) Both cutting speed and cutting depth promoted the amorphous transformation of workpiece atoms. (2) Under the extrusion of the tool, atoms with high coordination numbers were produced in the contact area between the tool and the workpiece. (3) The cutting depth was positively correlated with the average strain of workpiece atoms. Large strain atoms mainly occurred in the cutting area and gradually extended into the workpiece. (4) 1/2 < 111> dislocation was the most common dislocation form in nanocutting. This research plays a rich role in molecular dynamics simulation of nanocutting polycrystalline alloys.