Anisotropic elastic interactions of a periodic dislocation array

Phys Rev Lett. 2001 Jun 18;86(25):5727-30. doi: 10.1103/PhysRevLett.86.5727.

Abstract

A method for calculating the anisotropic elastic energy of a dislocation dipole in a periodic cell is derived in which the infinite image summation is absolutely convergent. The core energy of a screw dislocation in Si, extracted from atomistic simulation, is shown to be manifestly system size invariant. Existence of special cell geometry where complete cancellation of elastic interactions occurs is demonstrated.