| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Thermodynamics and Kinetics of Alloys II
|
| Presentation Title |
Mo Diffusion in FCC and Rhombohedral Phases in FeNiMoW Using Atomistic Calculations |
| Author(s) |
Sarah E. O'Brien, Matthew J Beck |
| On-Site Speaker (Planned) |
Sarah E. O'Brien |
| Abstract Scope |
Diffusion, specifically sluggish diffusion, in multi-principal element alloys (MPEAs) has been a key characteristic of the field. Significant attention has been focused on diffusion in MPEAs like FeNiMoW, which has demonstrated novel adiabatic shear banding under high strain-rate deformation. Equiatomic FeNiMoW decomposes into three phases including an FCC matrix, BCC dendrites, and rhombohedral mu phase. Heat treatment has been shown to drive Mo diffusion within and between the FCC matrix and mu phase. Here we use atomistic DFT calculations to explore the mechanisms and energetics of Mo diffusion in these phases, focusing on the effects of nearby distributions of alloying elements on Mo-associated point defects and diffusion barriers. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, Characterization |