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Abstract Atomistic simulations have been used to study the grain boundary (GB) migration in pure Al and Mg-doped Al binary alloys. The results of shearing simulations indicate that the effect… Click to show full abstract
Abstract Atomistic simulations have been used to study the grain boundary (GB) migration in pure Al and Mg-doped Al binary alloys. The results of shearing simulations indicate that the effect of dopants on the GB migration depends on the character of the GB. Negligible influence is found on the migration of the coherent ∑3 GB and only a slight change was found in its strength due to the doping. For the other GBs considered in our study, GB migration was pinned by dopants at the GBs, which results in a strengthening effect. The atomic-level GB migration mechanisms are identified for both shear-coupled GB migration in pure Al and dopants pinning GB migration in Mg-doped Al alloys.
Journal Title: Computational Materials Science
Year Published: 2020
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