Abstract
Despite their wide presence in hcp metals, incoherent tilt grain boundaries (ITGBs) are rarely studied. In this work, first-principles calculations were combined with atomic-resolution HAADF-STEM analyses to investigate the structure and formation of one special type ITGB in an Mg-Gd alloy featured with a unique Gd-rich cluster segregation pattern. Our results suggested this ITGB as a mirror-glide boundary formed by gliding the atoms along [2021] of a {1014} <2021> coherent twin boundary due to its interaction with stacking faults. The ITGB can be further stabilized by partial-column Gd substitution, leading to the observed unique segregation pattern.
Original language | English |
---|---|
Pages (from-to) | 268-274 |
Number of pages | 7 |
Journal | Materials Research Letters |
Volume | 8 |
Issue number | 7 |
DOIs | |
Publication status | Published - 2020 |
Keywords
- density functional theory
- grain boundary
- Mg
- segregation
- stacking fault