By making a step on a (11¯2) surface of a small rectangular parallelepiped crystal, dislocations could be created by using the molecular dynamics method. The dislocation which was created was not a complete edge dislocation, but a pair of Heidenreich-Shockley partial dislocations. Each time that a dislocation was created, the stress on the surface was released. Small crystals which had a notch were pulled by using the molecular dynamics method. An embedded atom potential was used to represent the interactions between atoms. Dislocations were created near to the tip of the notch, and a very sharp yield stress was observed.

Simulation of Dislocations and Plastic Deformation in Nano-Size Single Crystals. M.Doyama: Nanostructured Materials, 1996, 9[1-8], 689-92