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- Title
DFT Calculation of High-Angle Kink Boundary in 18R-LPSO Alloy.
- Authors
Mitsuhiro Itakura; Masatake Yamaguchi; Daisuke Egusa; Eiji Abe
- Abstract
Kink boundaries formed in Mg-based long period stacking order (LPSO) alloys play a key role in strengthening of these materials. As the kink structure grows, many high-angle kink boundaries are eventually formed which has inclination angle close to 34 degrees. We show that this peculiar structure is a result of irreversible structural transformation and is energetically stable. We also calculate segregation energies of alloying elements Yand Zn to this boundary. Finally, the critical resolved shear stress for the migration of kink boundary is estimated for a pure-Mg kink and that with saturated with segregation. We show that segregated kink boundary requires very high shear stress about 700 MPa for migration.
- Subjects
SHEARING force; MAGNESIUM
- Publication
Materials Transactions, 2023, Vol 64, Issue 4, p813
- ISSN
1345-9678
- Publication type
Article
- DOI
10.2320/matertrans.MT-MD2022010