|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Computational Design of Materials
||Quantitative Defect Chemistry Analysis of (La1-xCax)yFeO3±δ Perovskite
||Shadi Darvish, Yu Zhong
|On-Site Speaker (Planned)
The defect chemistry inside the (La1-xCax)yFeO3±δ perovskite (LCF) was analyzed using the La-Ca-Fe-O quaternary thermodynamic database. Database revision has been comprehensively discussed and the quantitative Brouwer diagram for LCF at 850C was developed. In addition, the detailed defect chemistry analysis has been adopted on the prediction of the electronic conductivity of LCF with the compound energy formalism model by applying the CALPHAD approach. The calculations on the electronic conductivity of LCF show agreement with the high temperature experimental data in the literatures.
||Planned: Supplemental Proceedings volume