About this Abstract |
| Meeting |
MS&T26: Materials Science & Technology
|
| Symposium
|
Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
|
| Presentation Title |
Boron-Induced Grain Boundary Phase Transitions in Tungsten |
| Author(s) |
Timofey Frolov, Enze Chen, Flynn Walsh, Morris Wang, Ralf Drautz |
| On-Site Speaker (Planned) |
Timofey Frolov |
| Abstract Scope |
Boron is widely recognized as a “magic” alloying element that mitigates grain boundary embrittlement across a broad range of materials systems, including refractory metals, steels, and superalloys, where even minute additions can dramatically enhance ductility and suppress intergranular fracture. Despite decades of study, the fundamental atomic-scale mechanisms by which boron exerts this effect remain incompletely understood.
In this work, we develop an atomic cluster expansion (ACE) interatomic potential for the W–B system to predict structures of crystal defects in the alloyed system. Our results reveal that boron acts as a robust transformer of grain boundary structures across a wide range of boundary geometries and types. Our structure prediction searches identify multiple grain boundary structures as a function of boron content, which can be interpreted as ordered, intermetallic grain boundary phases. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344. |