Surface roughness is one of the most important features in nanoscale machining. In this paper, molecular dynamics simulations have been performed to investigate the combination effect of the tool stiffness, machining parameters and the tool tip geometry on the surface roughness of the single-crystal copper workpiece in the nano machining process by diamond tool. To consider the effects of probe beam dynamics in calculating the workpiece surface roughness, the probe cantilever is modeled as an equivalent spring-mass system that the tip mass is added to its end. The differential equation of the probe motion is solved simultaneously with the molecular dynamics equations for the tool tip and the workpiece and the effect of probe stiffness on the surface roughness is obtained. The result shows that a higher cutting speed and depth of cut and lower tool radius lead to a larger effect of probe stiffness on the surface roughness of the workpiece. Also, for the negative rake angles, considering the tool as rigid creates a large error in determining the surface roughness.
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