| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Materials for Energy Conversion and Storage 2024
|
| Presentation Title |
A-7: Diffuse Interface Methods to Resolve Grain Boundary Effects in Solid-state Electrolytes |
| Author(s) |
Andrew Danbury, W. Beck Andrews, Katsuyo Thornton |
| On-Site Speaker (Planned) |
Andrew Danbury |
| Abstract Scope |
Solid-state electrolytes are attractive for their potential to suppress dendrite growth and replace flammable organic liquid electrolytes. However, when employing solid materials, it becomes imperative to understand the role of microstructure on their properties and performance, informing design of processing pathways. Promising solid-state electrolyte materials such as Li7La3Zr2O12, (LLZO) face challenges due to microstructural features like grain boundaries, where elastic stiffness and ion transport differ from the bulk. While grain boundaries themselves are on the order of nanometers, their effects on ionic conductivity and mechanical behavior must be examined at the microscale. To account for changes in the elastic and transport properties within grain boundaries in polycrystalline LLZO, we employ two diffuse interface approaches: the Smoothed Boundary Method (SBM) and matching to an analytical model system within a representative volume element. The error is assessed against the corresponding sharp interface solutions. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Energy Conversion and Storage, Computational Materials Science & Engineering |