Molecular dynamics (MD) simulation of uniaxial tension of /spl beta/-Sn single crystals with nanocracks

Abstract

Single crystals of /spl beta/-Sn with artificial nanocracks were simulated with molecular dynamics (MD) method. A pairwise sum of Morse potentials was used to describe the interatomic interactions between Sn atoms in the single crystal of pure /spl beta/-Sn. Uniaxial tensile force was applied along two different directions, [010] and [001], respectively for different simulated specimens. It was found that when the applied tensile force was along the [001] direction, more dislocations were emitted from the crack tip than when the applied tensile force was along the [010] direction. Polygonization was observed, when the applied force along the [001] direction was removed from the simulated specimen. This was similar to polygonization observed in in-situ tensile test conducted in transmission electron microscope (TEM).