| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior Related to Interface Physics IV
|
| Presentation Title |
Grain Boundary Segregation and Its Effect on the Mechanical Performance of NbMoW Studied Using Atomistic Simulations |
| Author(s) |
Samuel Wagers, Adib Samin |
| On-Site Speaker (Planned) |
Samuel Wagers |
| Abstract Scope |
Compositionally complex refractory alloys (CCRAs) are increasingly studied for high temperature applications due to their promising properties. In this work, we report on utilizing atomistic simulations to explore the phase stability and mechanical performance of body-centered cubic (bcc) NbMoW as a representative of these CCRAs. The role of grain boundary nature and orientation is examined. In particular, a local phase diagram of low and high energy tilt and twist grain boundaries in NbMoW is constructed by monitoring segregation as a function of temperature and pressure. The effect of segregation on mechanical performance is examined through carrying out a series of tensile and shear stress-strain simulations and studying crack propagation through the grain boundary. Finally, the effect of grain boundaries on self-diffusion for each element is investigated though comparison with single crystal diffusion. |
| Proceedings Inclusion? |
Planned: |