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 |
The Statistics of Defect Energetics and Their Effects on Transport Properties in Concentrated Solid Solutions |
| Author(s) |
Akash Baski, Ritesh Jagatramka, Matthew Daly |
| On-Site Speaker (Planned) |
Akash Baski |
| Abstract Scope |
The characterization of defect energetics in concentrated solid-solutions (CSSs) is crucial for understanding material behaviors like transport and deformation mechanisms. In CSSs, local chemical variations induce fluctuations in the potential energy landscape, resulting in variations in point defect energies such as the vacancy formation and migration energies. Conventional mean-field approaches fail to describe these fluctuations for calculating vacancy-driven properties, and direct atomistic simulations are computationally expensive for capturing such local variations. To address this challenge, we have developed an analytical approach that directly treats the critical defect energy statistics to predict effects on transport phenomena. Here, we highlight the shortcomings of averaging and demonstrate improved predictions of transport properties by incorporating statistical scatter in the critical defect energies underpinning these processes. While randomly arranged CSSs are our first focus, we extend our method to examine the effects of short-range order. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Other |