About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Materials Kinetics and Mechanisms Under External Forcing-Driven Conditions
|
| Presentation Title |
Graph-based analysis of dislocation glide kinetics in random alloys |
| Author(s) |
Xing Liu |
| On-Site Speaker (Planned) |
Xing Liu |
| Abstract Scope |
The exploration of strong compositionally complex alloys has renewed interest in the strengthening mechanisms of random alloys. While the critical role of the kinetics of dislocation glide in governing yield strength is well recognized, the underlying physics—particularly its dependence on thermal and mechanical loading conditions—remains poorly understood. To address this limitation, we develop a coarse-grained modeling framework, informed by atomistic simulations, to map the energy landscape for dislocation glide in random alloys. Numerous metastable and saddle-point states, along with the glide paths that connect them, are identified, forming a complex directed graph. We further develop a graph-based approach to extract effective activation energy that governs the energetics of dislocation glide from the directed graph, thereby enabling predictions of glide stress at given temperatures and strain rates. This modeling framework also offers a promising avenue for investigating how the strength of random alloys depends on composition and chemical ordering. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Modeling and Simulation, Machine Learning |