About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Local Ordering in Materials and Its Impacts on Mechanical Behaviors, Radiation Damage, and Corrosion
|
Presentation Title |
Computational and Characterization Methods to Quantify Chemical Ordering in Compositionally Complex Alloys |
Author(s) |
Annie Barnett, Daniel Foley, Elaf Anber, Yevgeny Shlafstein, Alejandro Gomez Perez, Partha Pratim Das, Douglas Spearot, Irene Beyerlein, Michael Falk, Mitra Taheri |
On-Site Speaker (Planned) |
Annie Barnett |
Abstract Scope |
Non-uniform, compositionally complex alloy (CCA) landscapes are challenging to fully characterize. Difficulty arises in confirming ordering mechanisms, in quantitatively describing order, and in rigorously relating such order to experimental measurement of reciprocal space lattices patterns. Precession Electron Diffraction (PED) can extract quantitative ordering information in metallic systems, including slight changes in ordering that occur at high spatial resolution, but a need remains for more evidence of local behavior. Hybrid Monte-Carlo/Molecular Dynamics simulations were performed to generate experimentally comparable models to compliment conclusions about the ordering signatures previously found using PED. Short-range order (SRO) parameters are well-defined mathematically but do not directly provide any physical interpretation. Such parameters benchmark the chemical state of systems generated both experimentally and computationally. Modeling results, PED patterns, and SRO parameters illustrate the benefits of a combined methodology to facilitate quantification and characterization of the local nature of chemical ordering in complex metallic systems. |
Proceedings Inclusion? |
Planned: |