| 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 |
Bottom-up models for capturing local chemical order in complex alloys exhibiting magnetism -- application to austenitic stainless steels and magnetic shape memory alloys |
| Author(s) |
Brian Blankenau, Tianyu Su, Elif Ertekin |
| On-Site Speaker (Planned) |
Elif Ertekin |
| Abstract Scope |
Short-range order (SRO), the regular and predictable arrangement of atoms over short distances, alters the properties of technologically relevant structural materials. Recent studies have shown that magnetic interactions can be a driving force for atomic-scale chemical ordering. In this presentation, I will introduce a recently-developed spin cluster expansion model to study the interplay between finite-temperature magnetism and SRO, and demonstrate its application to both austenitic stainless steels and magnetic shape memory alloys. The spin CE consists of a chemical cluster expansion combined with an Ising model, fitted to first-principles energies of alloys of varying chemical and magnetic states. We find that the magnetic exchange interactions exhibit comparable magnitude to the chemical interactions, underscoring the significance of finite-temperature magnetism on predicted SRO behaviors. For both austenitic stainless steels and shape memory alloys, we will further consider possible implications of the resultant SRO on large scale macroscopic behavior, deformation, and phase transformation. |
| Proceedings Inclusion? |
Planned: |