Abstract
The activation energy for vacancy migration in [001] tilt boundaries in nickel under the action of homogeneous tensile stress in the presence of a grain-boundary dislocation (GBD) was calculated with the help of atomistic computer simulation by the molecular-statics method using embedded-atom-method potentials. The Σ=5 (ϑ=36.9°) special boundary as well as the boundary with a misorientation angle of ϑ=37.9° whose period contains 20 structural units of the Σ=5 (ϑ=36.9°) boundary and one structural unit of the Σ=5 (ϑ=53.1°) boundary simulating a GBD have been investigated. High applied stresses and long-range GBD-induced stresses are shown to exert no significant effect on the activation energy for vacancy migration. An analysis using calculated data on the energy for vacancy formation [1] shows that, due to the internal stresses in ordered boundaries, the diffusion coefficient along grain boundaries may increase only slightly.
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