In this work, research on the surface morphology, sub-surface damage and tool force in the repeated nanofabrication of monocrystalline nickel was conducted via molecular dynamics. And the conclusion of the theoretical analysis was properly verified by the nano-scratch experiment The paper traced the coordinates of a series of atoms during processing, revealing the formation of grooves on the surface and the reasons for the changes during repeated processing. Through CAN analysis and DXA technology, it was concluded that in monocrystalline nickel nano-processing, repeated processing once will improve the sub-surface quality of the workpiece, but there was basically no difference between repeated processing twice. At the same time, the tangential force and the normal force of the tool in the first machining were obviously larger, and the force of the tool was basically the same in the subsequent two repeated machining. The surface roughness of the single crystal nickel after the nano-scratch experiment was detected by an atomic force microscope, and it was found that repeated processing once would appropriately improve the surface quality of the processed workpiece.