About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
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Advanced Materials for Energy Conversion and Storage VII
|
Presentation Title |
Computational Guided Investigations on LSM/YSZ Triple-phase Boundaries |
Author(s) |
Rui Wang, Yu Zhong |
On-Site Speaker (Planned) |
Rui Wang |
Abstract Scope |
To better overcome the drawbacks of reducing the operating temperature of the lanthanum-strontium manganite (LSM) and yttria-stabilized zirconia (YSZ) cell systems, the length of triple-phase boundaries (TPBs) as well as the numbers of more active reaction site become critical. Recently, Composites of LSM and YSZ, as functional grade materials (FGMs), have been proposed to improve the electrochemical performance of LSM/YSZ. On purpose of studying the behavior of the TPBs as well as tuning better compositions of the LSM/YSZ functional layers, the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) methodology was adopted due to its ability of the high-throughput predictions of the optimized system. Meanwhile, the formation of the secondary phases can also be simulated under either operational and sintering conditions with different temperatures and PO2. Finally, an optimized ratio or concentration gradient of the LSM/YSZ composites will also be proposed to improve the SOFC performance under different conditions. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, |