About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials Kinetics and Mechanisms Under External Forcing-Driven Conditions
|
| Presentation Title |
Nonequilibrium chemical short-range order in externally-driven alloys |
| Author(s) |
Mahmudul Islam, Killian Sheriff, Yifan Cao, Rodrigo Freitas |
| On-Site Speaker (Planned) |
Mahmudul Islam |
| Abstract Scope |
Chemical short-range order (SRO) serves as the backdrop for microstructural evolution in metallic alloys, influencing their materials properties. While SRO has been extensively studied under equilibrium conditions, its evolution during externally-driven nonequilibrium processes remains poorly understood. Here, we employ large-scale atomistic simulations to investigate SRO evolution during externally-driven processes, such as rapid solidification and thermomechanical deformation. Our results reveal that these processes can engender a wide range of nonequilibrium steady SRO states, fundamentally distinct from their equilibrium counterparts. To characterize these states, we propose a physical framework based on machine learning and information theory that explicitly accounts for the nonequilibrium events governing SRO evolution. We show that the mechanism behind nonequilibrium SRO formation stems from an inherent ordering bias associated with these events. Our findings demonstrate that externally-driven nonequilibrium processes can serve as a viable tool for controlling SRO and, consequently, materials properties, offering new avenues for advanced alloy design. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Machine Learning, Computational Materials Science & Engineering |