| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium on Thermodynamics of Microstructure Stability and Evolution
|
| Presentation Title |
Microstructural Mechanisms of Performance and Degradation of Materials for Hydrogen Storage and Production – Mesoscale Modeling |
| Author(s) |
Tae Wook Heo |
| On-Site Speaker (Planned) |
Tae Wook Heo |
| Abstract Scope |
Many of the biggest challenges in the hydrogen energy research are associated with the fact that the operation and degradation mechanisms of the associated materials often involve the complicated coupling of chemical/physical/materials processes. Essentially, these are collective dynamic processes that are strongly influenced by the associated microstructures of the materials. Mesoscale modeling frameworks can provide a unified platform for integrating the necessary microstructural mechanisms dictating their thermodynamics and kinetics. In this talk, we present our integrated effort on mesoscale modeling of solid-state materials for hydrogen energy applications. In particular, we will demonstrate our recent development of a comprehensive mesoscale modeling framework for assessing and quantifying the microstructural effects on materials performance and degradation in hydrogen storage and production systems. Representative case studies will be presented, including hydrogen/oxygen/thermal transport, micromechanical responses, reaction-induced phase transformations in component materials for solid-state hydrogen storage and high-temperature electrolysis. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Energy Conversion and Storage |