About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior at the Nanoscale VII
|
| Presentation Title |
Atomistic Modeling of Anti-twinning in BCC Nanocrystals |
| Author(s) |
Zifeng Wang, Yin Zhang, Ting Zhu |
| On-Site Speaker (Planned) |
Zifeng Wang |
| Abstract Scope |
Recent in situ atomic resolution deformation experiments have revealed an unexpected deformation mode of anti-twinning in body-centered cubic (BCC) nanocrystals. To understand the anti-twinning mechanism, we performed atomistic simulations to investigate the competition between dislocation slip and twinning/anti-twinning processes. Using the stress-controlled NEB method, we determined dislocation slip pathways, providing insights into the relationship between dislocation glide on {110} and {112} slip planes. Furthermore, we found a new mechanism of dislocation glide to twinning. The combined atomistic modeling and in situ experiments provide new understanding of atomic-scale deformation mechanisms in BCC nanocrystals. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Mechanical Properties |