Phase diagram for a nano-yttria-stabilized zirconia system

A 3-D phase diagram for an n-YSZ system was established in which the stability range of each individual phase can be predicted based on the particle size, composition, and temperature.</p

Exploration of High Entropy Ceramics (HECs) with Computational Thermodynamics - A Case Study with LaMnO3±δ

The concept of the new category materials high entropy ceramics (HECs) has been proposed several years ago, which is directly borrowed from high entropy alloys (HEAs). It quickly attracts a lot of interests and displays promising properties. However, there is no clear definition of HECs differentiating it from HEAs, as it is still in its early research stage. In the current work, we are trying to use the classic perovskite LaMnO3±δ (LMO) to demonstrate the fundamental differences between HECs and HEAs. We have adopted the integrated defect chemistry and CALPHAD approach to investigate the mixing behavior and how it is affected by the control parameters, i.e. PO2, T, and composition. We have developed a new way to visualize the mixing behavior of the species including the cations, anions, and defects (vacancies), which linked the mixing behavior to the thermo-chemical properties including enthalpy, entropy, and Gibbs energy. It was found that entropy plays the most important role on the mixing behavior in LMO. The present work paves the way for the HECs investigation and the design of new HECs for the various applications

Thermodynamic Investigation into Chemical Stability of (La,Sr)CrxFe1-xO3-δ and Dual-Phase (La,Sr)CrxFe1-xO3-δ/ stabilized Zirconia for Oxygen Transport Membranes

Ceramics oxides with mixed ionic and electronic conductivity have received a lot of attention due to their wide range of applications in solid oxide fuel cells, interconnects, gas sensors, and ion transport membranes. However, owing to harsh operating conditions, the choice of proper materials and engineering their properties are still challenging. Perovskite and fluorite structures are two promising structures for ceramic membrane applications. The objective of this research is to explore the stability of lanthanum chromite-based perovskite ((La,Sr)(Cr,Fe)O3-δ) as single phases and dual-phase composites with fluorite phases under fabrication and operating conditions of Oxygen Transport Membranes (OTM). The current research has been categorized into two sections: structural and chemical stability of perovskite phases and dual-phase perovskite/fluorite composites. Also, investigation on both categories has been conducted with two separate approaches: experimental examinations and computational Thermodynamic. In the computational part, independent methods have been considered for the single-phase perovskite and dual-phase perovskite/fluorite composites. In the experimental section, the bulk chemical stability of the dual-phase samples has been examined under controlled oxygen partial pressure p(O2) atmospheres at 1400ᵒC for 10 hours with slow and fast cooling rates. Besides, the phase stability of the perovskite structures as a single-phase has been also examined under OTM fabrication conditions. The results present new phenomena in the chemical stabilities of the materials. They include formations of liquid phases, Sr-segregation, and perovskite phase separations. The correlations between compositions/ temperature/ p(O2) and secondary phases have been investigated to improve the chemical stability and extend the lifetime of the materials. The findings in this thesis enhance the knowledge about the chemical stabilities of OTMs and help to develop more reliable materials for ceramic-based OTMs