About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Interface Structure and Properties: Impact on Microstructure Evolution
|
| Presentation Title |
Energetic Pathways to Twin Networks and Amorphous Phases in Ni Superalloy and High-Entropy Alloy Thin Films |
| Author(s) |
Paulo Branicio, Aoyan Liang, Mohammad Hadi Yazdani, Diana Farkas |
| On-Site Speaker (Planned) |
Paulo Branicio |
| Abstract Scope |
Atomistic modeling reveals how composition–processing–microstructure couplings govern growth twinning and amorphization in Ni–Cr–Fe superalloy and CoCrFeNiTix HEA thin films. Combining physical‑vapor‑deposition and melt‑quench molecular‑dynamics trajectories with stacking‑fault‑energy (SFE) calculations, we construct design maps linking deposition energy, substrate orientation, temperature, and chemistry with defect formation. A critical SFE near 40 mJ m‑2 separates regimes producing dense coherent twin networks from those favoring twin‑free or amorphous structures. Chromium-rich Ni–Cr–Fe films compress growth-twin spacing down to atomic dimensions, whereas extra iron expands that spacing into the nanometer regime. In CoCrFeNiTix layers, raising the Ti content above x ≈ 0.3 destabilizes interfacial order and triggers metallic-glass formation. The resulting atomistic design maps connect alloy chemistry with deposition parameters, providing blueprints for fabricating ultrafine heterostructures that combine high strength, radiation tolerance and corrosion resistance, without any post-deposition treatment. Ongoing validation in magnetron-sputtered films and bulk alloys is confirming these predictions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, Thin Films and Interfaces |