| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior Related to Interface Physics IV
|
| Presentation Title |
Modeling Grain Boundary Mediated Plasticity with Massively Parallel Atomistic Simulations |
| Author(s) |
Timofey Frolov, Flynn Walsh, Nicolas Bertin, A. A. Chernov, Ian Winter, Tomas Oppelstrup |
| On-Site Speaker (Planned) |
Timofey Frolov |
| Abstract Scope |
The plasticity of polycrystals is greatly influenced by grain boundaries (GBs), interfaces that can act as obstacles for dislocation motion. The resulting strengthening effect is described by the well-known Hall-Petch relation. A different strengthening mechanism referred to as dislocation starvation has also been demonstrated for small single crystals, where the bulk material is essentially dislocation-free and the plasticity is accommodated by dislocations nucleating at free surfaces. We perform large-scale MD simulations of bicrystal deformation to investigate the dynamic competition between dislocation multiplication in the bulk and their nucleation at GBs. We identify grain size and deformation rate regimes where the plasticity and strength are completely governed by the nucleation of dislocations at GBs. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Thin Films and Interfaces, Mechanical Properties |