Structure of the 〈100〉 Edge Dislocation in Iron

Abstract

The positions of atoms around the core of a 〈100〉 edge dislocation in iron have been calculated using atomic potentials developed by Johnson, boundary conditions based on anisotropic or isotropic elasticity and the GRAPE computer program. The dislocation is quite narrow and the atoms below the extra half‐plane relax into a microcrack. It is shown that particular care must be taken in introducing the dislocation and choosing the potential. The configuration of this particular dislocation is only slightly sensitive to the choice of boundary conditions and the size of the model.