| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Grain Boundaries and Interfaces: Metastability, Disorder, and Non-Equilibrium Behavior
|
| Presentation Title |
Characterizing the Dynamics of Ion Hopping under the Effect of a Complex Stress Field Induced by the Micrometer-level Dislocation Pileup at a Non-equilibrium Grain Boundary |
| Author(s) |
Liming Xiong |
| On-Site Speaker (Planned) |
Liming Xiong |
| Abstract Scope |
Many plastically deformed polycrystalline materials contain a high density grain boundaries (GBs) far away from equilibrium. A blockage of dislocations by these GBs introduces high local stresses. The local stress/strain-assisted ion hopping along these GBs is not fully understood up to date because it remains a challenge using single-scale techniques to address the atomistic ion jumping, the GB structure together with the long-range stress evolution induced by the dislocation accumulation. To meet this challenge, here we present a concurrent atomistic-continuum (CAC) model to probe the coupling between the dislocation-mediated plastic flow and interstitial ion hopping along the non-equilibrium GBs. We have determined: (i) the correlation between the defect-induced stresses, the local structure distortion and the ion mobility; (ii) the decisive factor that dictates the diffusivities of non-equilibrium GBs with long-range heterogeneities. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Modeling and Simulation, Energy Conversion and Storage |