| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Vacancy Segregation to Grain Boundaries in Diamond |
| Author(s) |
Christian Brandl |
| On-Site Speaker (Planned) |
Christian Brandl |
| Abstract Scope |
Harsh radiation environments cause a high density of point defects in crystalline materials, resulting in the degradation of structural and functional properties. The high radiation damage resistance of nanostructured materials with high interface density indicates the vital role of interfaces as sinks for vacancies and interstitials. Therefore, novel radiation-resistant structures exploit the interaction of point defects with interfaces. The segregation behaviour depends on the precise atomic-scale structure, and the link to the emerging interface atomic structures is the first step to a rational segregation design.
The emerging structure-property relation is demonstrated in atomistic simulations of diamond and Si with (111) twist grain boundaries. This study predicts the transition from glide to shuffle planes of twist grain boundaries in covalent materials with implications on vacancy segregation and their emerging sink efficiency patterns. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Nanotechnology, Thin Films and Interfaces |