| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
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| Symposium
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Local Chemical Ordering and Its Impact on Mechanical Behaviors, Radiation Damage, and Corrosion
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| Presentation Title |
Developing new modeling capability to enable explicit characterization of short-range order in alloys |
| Author(s) |
Tianshu Li, Shunda Chen, Xiaochen Jin, Lilian Vogl, Andrew Minor, Shang Liu, Jifeng Liu |
| On-Site Speaker (Planned) |
Tianshu Li |
| Abstract Scope |
This talk will describe our recent development of new modeling capability, including (1) A physics-informed, statistical approach that overcomes the limited spatial resolution in atom-probe tomography (APT) to recover Warren-Cowley SRO parameter in alloys, and (2) A highly efficient and accurate machine-learning potential framework to model SRO on the same spatial scale of four-dimensional scanning transmission electron microscopy (4D-STEM) and APT. Applying these new methods through a collaboration with 4D-STEM and APT, we explicitly demonstrate the existence of SRO in group IV alloys, verifying our early theoretical predictions. Importantly, this modeling-characterization synergy further enables mapping the spatially resolved diffuse diffraction patterns in 4D-STEM to different local SRO structural motifs, presenting an in-depth investigation of SRO. The developed approaches are also shown to be applicable in other alloys, thus opening the possibility of explicitly characterizing SRO in a wide range of high-entropy materials. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Characterization, High-Entropy Alloys |