Atomistic Study of the Interaction Nature of H-Dislocation and the Validity of Elasticity in Bcc Iron

One way to assess the validity of elasticity is with method atomic simulations. Molecular statics (MS) simulations are performed study interactions between H and edge dislocations in bcc iron using embedded-atom-method potential for a Fe-H system. The nature H-dislocation can be investigated examined. We show that sites strong binding energy found at dislocation core, as well slip plane, suggesting high concentrations form along plane. It interstitial not only interacts hydrostatic stress, but also shear stresses generated by dislocation, especially on When represented anisotropic elasticity, distance larger than ~19 Å, i.e., same isotropic predictions. lies closer good agreement obtained if considering all strains induced octahedral elasticity.