A new method for adjusting the tool rake and flank angles by changing the position of the tools was used to dynamic explore the nano-cutting behavior of single-crystal silicon using MD simulation. Simulations under the same cutting conditions were carried out using a tool swinging to six different rake angles of − 10°, − 15°, − 20°, − 25°, − 30°, − 35°, and − 45°. The advantages of Tersoff potential function are discussed in comparison with those of using SW potential function. The coordination number, von Mises stress, hydrostatic stress, system temperature, potential energy and cutting force during the nano-cutting process are studied. The results of a statistical study reveal that the coordination numbers of silicon atoms showed a minimum value and the highest average hydrostatic stress at − 25° adjustment angle. Besides, the maximum system potential energy and temperature is also obtained at an adjustment angle of − 25° after − 20° (it can be defined as a larger adjustment angle after − 15°). In addition, the results also point out that the highest average tangential force was observed at − 25°, which is different from the previous researches.

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