| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational and Modeling Challenges in Metals and Alloys for Extreme Environments
|
| Presentation Title |
Molecular Dynamics Modeling of the Influence of Magnesium Dopants on Grain Boundary Stabilization in Nanocrystalline Aluminum |
| Author(s) |
Wenye Ye, Leslie T Mushongera |
| On-Site Speaker (Planned) |
Wenye Ye |
| Abstract Scope |
Nanocrystalline materials show exceptional mechanical properties relative to their coarse-grained counterparts. However, due a large volume fraction of grain boundaries in nanocrystalline materials, their properties are significantly influenced by this amorphous grain boundary phase. Consequently, they suffer from low stability and ductility in applications. The addition of dopants offers a singular approach to stabilize grain boundaries in nanocrystalline materials. To this end, integrated Monte Carlo and molecular dynamic simulations were done to elucidate the efficacy of magnesium dopants to stabilize the grain boundaries in nanocrystalline aluminum. The atomistic simulations show that magnesium atoms tend to segregate to grain boundaries which minimizes their energy. Nanocrystalline aluminum samples with different dopant contents were tested under tensile and compressive loads at room temperature. The results show that magnesium at grain boundaries reduce grain coarsening in addition to preventing failure in this region. Mechanical properties from these samples were also compared. |
| Proceedings Inclusion? |
Planned: |