About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Engineering Grain Boundary Cohesion Through Solute Segregation Beyond the Dilute Limit |
| Author(s) |
Md Hasib, Nutth Tuchinda |
| On-Site Speaker (Planned) |
Md Hasib |
| Abstract Scope |
Grain boundary (GB) segregation can improve cohesion and resistance to intergranular embrittlement by introducing solutes that both segregate to and strengthen the boundary. However, existing segregation genomes largely focus on dilute binary alloys and do not explicitly connect atomistic interaction parameters to the work of separation. We develop a multi-solute GB cohesion framework that quantifies ternary interactions and their effects on finite-temperature segregation, embrittlement potency, and boundary cohesion. The framework combines computed interaction energies, finite-temperature segregation isotherms, and the Rice–Wang formalism to evaluate changes in the work of separation when multiple distinct solutes occupy neighboring sites at a high-angle GB. Using refractory-alloy GBs as a case study, we identify solute combinations that strengthen or embrittle boundaries under finite-concentration and finite-temperature conditions. This approach can be extended to other alloy families and integrated into materials-design workflows for developing multicomponent alloys resistant to intergranular fracture. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Other |