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 |
Unravelling Entangled Local Strengthening Mechanisms in Face-Centered Cubic Multi-Principal Element Alloys |
| Author(s) |
Jing Luo, Zhuocheng Xie, Yejun Gu, Jaafar El-Awady |
| On-Site Speaker (Planned) |
Jing Luo |
| Abstract Scope |
Multi-principal element alloys (MPEAs) have demonstrated exceptional mechanical properties; however, the strengthening mechanisms arising from local chemical orderings (LCOs) are not fully understood. In this study, we integrate high-throughput molecular dynamics (MD) simulations with a gradient boosting machine learning (ML) model to quantify the influence of dislocation-mediated plasticity on LCO. Incorporating the trained ML model into discrete dislocation dynamics (DDD) simulations allows us to reveal the effect of LCO on plastic deformation. By combining MD and DDD approaches, we systematically uncover the interplay between dislocation dynamics and the evolution of LCO during plastic deformation. Furthermore, by comparing DDD simulation results for scenarios that include LCO without softening, LCO with softening, and conventional solute strengthening, we quantitatively distinguish the contributions from solute strengthening and LCO. Our simulation results are validated against experimental data, providing new insights into the role of LCO in strengthening MPEAs. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Mechanical Properties, High-Entropy Alloys |