| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
J-35: Grain Boundary Segregation Effects in Multi-Principal Element Alloys |
| Author(s) |
Sarah Paguaga, Sarah Hunt, Joshua Arrington, Fadi Abdeljawad |
| On-Site Speaker (Planned) |
Sarah Paguaga |
| Abstract Scope |
Multi-Principal Element Alloys (MPEAs) have been the subject of active research for their unique combinations of properties. However, most existing research focuses on bulk properties of MPEAs and solute-defect interactions in these systems remain unexplored. Of particular interest is the interaction of elemental species with grain boundaries (GBs), as these affect many microstructural evolution processes. In this study, we leverage atomistic simulations to construct atomistic bicrystals with a series of [001] asymmetric GBs. The AlFeNiCrCo and HfNbTaTiZr systems are used as model MPEAs with FCC and BCC crystal structures, respectively. Then, hybrid Monte Carlo- Molecular Dynamics simulations are used to examine the interactions of various elemental species with GBs and any resultant segregation and elemental redistribution effects. Gibbsian excess quantities are used to quantify the results and reveal segregation behavior as a function of GB misorientation. Our approach provides avenues to account for defect-alloy interactions in MPEA design efforts. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, High-Entropy Alloys |