| About this Abstract |
| Meeting |
MS&T24: Materials Science & Technology
|
| Symposium
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Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
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| Presentation Title |
Predicting the Structure and Transitions of Grain Boundaries in BCC Metals
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| Author(s) |
Daniel Moore, Enze Chen, Rob Rudd, Mark Asta, Fadi Abdeljawad, Timofey Frolov |
| On-Site Speaker (Planned) |
Daniel Moore |
| Abstract Scope |
The structure and chemistry of grain boundaries (GBs) greatly influence the engineering and functional properties of polycrystalline materials. Recent studies revealed GB phases and transitions between distinct boundary structures. However, the structures and phases of low-angle GBs remain poorly explored, mainly due to their large repeat structural units. Herein, we employ atomistic simulations in conjunction with a recently-developed structure prediction algorithm to explore the structure and transitions of twist GBs in tungsten. In low-twist angle GBs, simulation results reveal the existence of several network types of dislocations that make up these boundaries and the possibility of transitioning between such network structures. Then, atomistic simulations employing the synthetic driving force are used to explore the dependence of GB mobility on boundary dislocation network structures. Overall, our approach provides future avenues to explore GB structure-property linkages in BCC metals. |