About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
|
Chemistry and Physics of Interfaces
|
Presentation Title |
Triple Junction Interstitial Solute Segregation in Nanocrystalline Alloys |
Author(s) |
Nutth Tuchinda, Malik Wagih, Christopher A. Schuh |
On-Site Speaker (Planned) |
Nutth Tuchinda |
Abstract Scope |
In nanostructured alloys, triple junction density can reach a level far above what is typically observed in bulk metals, and thus engineering their chemistry can be a potential pathway for controlling bulk properties of alloys. We develop a method of modeling interstitial solute segregation at grain interfaces and junctions. The framework is demonstrated with a model Pd(H) embedded atom type potential within a grain size range of ~5 - 20 nm. The results show characteristic triple junction solute segregation distribution which differs from their relative grain boundary spectra. Moreover, additional size dependencies of grain boundary and triple junction spectra are also quantified, allowing prediction of defect solute concentration at both grain boundaries and triple junctions as a function of grain size. |
Proceedings Inclusion? |
Planned: |
Keywords |
Nanotechnology, Computational Materials Science & Engineering, Modeling and Simulation |