About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
|
| Presentation Title |
Nonequilibrium Chemical Short-Range Order |
| Author(s) |
Rodrigo Freitas |
| On-Site Speaker (Planned) |
Rodrigo Freitas |
| Abstract Scope |
Chemical short-range order (SRO) is increasingly cited as a tunable parameter in materials design. Although its influence on properties is plausible and frequently hypothesized, the actual evolution of SRO during synthesis remains poorly understood. In this talk, I’ll present a multiscale framework to predict and quantify SRO at atomic resolution, using machine learning to bridge the gap between electronic-structure calculations and the mesoscale where SRO becomes apparent. High-fidelity simulations of rapid solidification and thermomechanical processing reveal that these nonequilibrium events drive SRO into steady states distinct from any equilibrium SRO configuration. These findings suggest that conventional manufacturing accesses a far broader spectrum of SRO states than current thermodynamic models account for, offering both opportunity and complexity for materials design. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, High-Entropy Alloys, Computational Materials Science & Engineering |