| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
|
| Presentation Title |
Atomistic Insights into Microstructural Engineering of High Entropy and Ni-Based Superalloys Thin Films |
| Author(s) |
Paulo Branicio, Aoyan Liang, Mohammad Hadi Yazdani, Daniel C. Goodelman, Andrea M. Hodge, Diana Farkas |
| On-Site Speaker (Planned) |
Paulo Branicio |
| Abstract Scope |
The composition-synthesis-structure relationships in CoCrFeNiTix high entropy alloys (HEA) and Ni-based superalloy thin films are investigated using molecular dynamics simulations. We explored the stability of CoCrFeNiTix HEAs produced by physical vapor deposition and melt-quenching, finding that high Ti content leads to amorphization while low Ti content results in face-centered cubic structures. Concurrently, the effects of various synthesis parameters on coherent twin boundary formation in Ni-based superalloy thin films were examined, revealing a strong correlation between twin boundary density, stacking fault energy, and growth direction. Additionally, we evaluated the stacking fault energies and microstructural formation in Ni-Cr-Fe alloys through molecular statics and dynamics simulations, identifying key force fields for binary and ternary compositions. These findings provide atomistic insights crucial for optimizing the microstructures and mechanical properties of advanced materials, thereby enhancing their applicability in aerospace and nuclear engineering. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, Thin Films and Interfaces |