About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Grain boundary phase transformations in refractory metals and alloys |
| Author(s) |
Enze Chen, Timofey Frolov |
| On-Site Speaker (Planned) |
Enze Chen |
| Abstract Scope |
Refractory metals, valued for their high melting points and mechanical strength, are vital for demanding applications such as aerospace and nuclear technology. Their performance is strongly influenced by the structure and phase behavior of grain boundaries (GBs), which underscores the need for an atomic-level understanding of GB phases. Using a recently developed GB structure prediction algorithm, we discover new ground states across several GBs in body-centered cubic (BCC) refractory metals and alloys. We show how even the simplest Σ5 boundaries in BCC metals can exhibit multiple GB phases that were previously overlooked, including "split kite" phases that are analogous to those discovered over a decade earlier in face-centered cubic metals. These split kites appear to be quasi-aperiodic and facilitate collective diffusion at the GB. We will also show how boron can transform the structure of GBs in tungsten, which may explain its potent enhancement of radiance tolerance in tungsten alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Thin Films and Interfaces, Phase Transformations |