| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Deformation and Transitions at Grain Boundaries VII
|
| Presentation Title |
Atomic Scale Modeling of Microstructure Effects on the Nucleation, Growth of Voids During Failure of Nanocrystalline Ta |
| Author(s) |
Shayani Parida, Jie Chen, Avinash Dongare |
| On-Site Speaker (Planned) |
Shayani Parida |
| Abstract Scope |
Large scale molecular dynamics (MD) simulations have been carried out to investigate the mechanisms and stresses for void nucleation and growth during spall failure of nanocrystalline Tantalum microstructures at the atomic scales. Uniaxial expansion simulations are carried out to investigate the evolution of dislocation densities and twinning/de-twinning behavior during nucleation and growth of voids. The results suggest that voids nucleate at grain boundaries and triple junctions and growth of voids occurs along the grain boundaries accompanied by extensive deformation twinning at the crack tip. The effects of microstructure are considered for systems with grain sizes ranging from 15 nm to 60 nm that are as-created as well as that have undergone uniaxial compression and release to mimic the process of shock compression and spall failure. The role of initial microstructure in the interplay between dislocation-based plasticity and deformation twinning, and their effect on void nucleation stresses will be presented. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |