| 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 |
Twin Boundary Engineering in Ni-Based Superalloy Thin Films |
| Author(s) |
Aoyan Liang, Mohammad Hadi Yazdani, Diana Farkas, Andrea M. Hodge, Paulo S. Branicio |
| On-Site Speaker (Planned) |
Aoyan Liang |
| Abstract Scope |
Nanoscale twin boundaries (TBs) form during physical vapor deposition (PVD) processes, a phenomenon known as growth twinning. Controlling TB density and spacing is crucial for tailoring the microstructures and properties of thin films for specific applications. In this study, we employ molecular dynamics (MD) simulations to investigate the effects of various synthesis parameters—including deposition energy, composition, substrate orientation, and temperature—on the microstructural formation in Ni-based superalloy thin films. A large number of simulations are conducted to account for the stochastic deposition simulations, providing a robust dataset for statistical analysis. We observe TB and stacking faults forming along the film growth direction. Our findings reveal a strong correlation between the formation and density of TBs and the stacking fault energy value. By systematically varying the synthesis parameters, we offer insights into the mechanisms governing growth twinning and propose guidelines for optimizing microstructural features. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Thin Films and Interfaces |