About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Generalized method to study grain boundary-dislocation interactions using phase field dislocation dynamics |
| Author(s) |
Himanshu Joshi, Ian Wise, Ian Chesser, Abigail Hunter, Nikhil Chandra Admal |
| On-Site Speaker (Planned) |
Himanshu Joshi |
| Abstract Scope |
Grain boundaries (GBs) strongly influence the mechanical response of polycrystalline materials through their interactions with deformation-induced defects. Atomistic studies have shown that these interactions depend on the GB microstate. While molecular dynamics (MD) simulations provide atomistic insight into GB–dislocation interactions, their spatial and temporal limitations restrict larger-scale studies. Phase-field dislocation dynamics (PFDD) offers an efficient mesoscale alternative.
Here, we present a modified PFDD framework that explicitly incorporates GB microstructure through stress fields derived from atomistic calculations. Using this model together with MD simulations, we investigate the interaction of a screw dislocation with a Σ3{112}[110] incoherent twin boundary in Copper. We examine multiple stable GB microstates and dislocation impingement sites. The modified PFDD model accurately reproduces the relative ordering of critical transmission stresses observed in MD. Both approaches show that GB microstructure and impingement site strongly influence dislocation transmission, while MD further reveals that each microstate exhibits preferred transmission sites. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Copper / Nickel / Cobalt, Modeling and Simulation |