About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
The Birotational Parameterization of Grain Boundaries and Structure-Property Models |
| Author(s) |
Oliver Johnson, Sterling G. Baird, Eric R. Homer, David T. Fullwood, Gus L.W. Hart |
| On-Site Speaker (Planned) |
Oliver Johnson |
| Abstract Scope |
In this work we review the birotational parameterization of grain boundaries (GBs), which represents a GB as an ordered pair of rotations, [Ra,Rb]. We derive new symmetry relations in this parameterization and show their correspondence with the misorientation/GB normal or [Mab, na] parameterization. We also introduce the concept of holomorphic chirality for GBs. We demonstrate the importance of this concept for ensuring that GB structure-property models respect required constraints. We show that it reveals a limitation of the misorientation/GB normal parameterization in which holomorphically chiral GB variants are implicitly identified, which leads to an unexpected correspondence with the recently developed GB octonion parameterization. Building on these results, we identify the point groups that are compatible with the GB octonion parameterization, and present a new result required to calculate the crystallographic distance between GBs in the octonion framework. Finally, we use these tools to build new structure-property models for GB energy. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Characterization, |