Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 188, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2020.110130
Keywords
Aluminum alloys; Magnesium dopants; Molecular dynamics; Grain boundary segregation; Grain boundary migration; Grain boundary sliding
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Funding
- Purdue School of Engineering and Technology at Indiana University Purdue University Indianapolis
- Lilly Endowment, Inc.
- Indiana METACyt Initiative
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The influence of dopants on grain boundary migration depends on the character of the grain boundary, with some showing negligible effect and others exhibiting a strengthening effect. The atomic-level mechanisms of grain boundary migration were identified for both pure aluminum and magnesium-doped aluminum alloys.
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 n-ary sumation 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.
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