Atomistic sliding mechanisms of the Σ=5 symmetric tilt grain boundary in bcc iron
- 11 November 2005
- journal article
- research article
- Published by Informa UK Limited in Philosophical Magazine
- Vol. 85 (32), 3795-3807
- https://doi.org/10.1080/14786430500256342
Abstract
Atomistic computer simulations were performed to investigate the mechanisms of grain-boundary sliding in bcc Fe using molecular statics and molecular dynamics with embedded-atom method interatomic potentials. For this study we have chosen the Σ = 5, (310)[001] symmetrical tilt boundary with tilt angle θ = 36.9°. Sliding was determined to be governed by grain-boundary dislocation activity with Burgers vectors belonging to the displacement shift complete lattice. The sliding process was found to occur through the nucleation and glide of partial grain-boundary dislocations, with a secondary grain-boundary structure playing an important role in the sliding process. Interstitial impurities and vacancies were introduced into the grain boundary to study their role as nucleation sites for the grain-boundary dislocations. While vacancies and H interstitials act as preferred nucleation sites, C interstitials to not.Keywords
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