By means of Tersoff and Morse potentials, a 3-dimensional molecular dynamics simulation was performed in order to study atomic force microscopy cutting on Si monocrystal surfaces. The interatomic forces between the workpiece and the pin tool and the atoms of the workpiece themselves were calculated. A screw dislocation was introduced into Si. It was found that the motion of dislocations did not occur during the atomic force microscopic cutting process. Simulation results showed that the shear stress acting on dislocations was far below the yield strength.

Molecular Dynamics Study of Mechanical Behaviour of Screw Dislocation during Cutting with Diamond Tip on Silicon. Q.H.Tang: Chinese Physics Letters, 2008, 25, 2946-9