Impact of Fermi energy on microstructure evolution: An electro-chemo-mechanical phase-field study (B03)

• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale ; Thermodynamics and Kinetics as well as Properties of Phases and Microstructure of Materials
• Term: since 2023
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 463184206

Project B03 aims at modelling how dopant distributions can affect microstructural characteristics and thus the properties of functional perovskite ceramics. The project is bridging the gap between the projects determining the electronic structure properties and the projects studying effects on the microstructure. Specifically, an electro-chemo-mechanical phase-field model of grain growth is developed for the study of microstructural evolution of perovskites, as represented by doped BaTiO3. The formation mechanisms of GB segregation and second phases, other microstructure features and particularly their dependency on the dopants and the Fermi energy limits shall be revealed.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1548: FLAIR - Fermi Level Engineering Applied to Oxide Electroceramics
• Applicant Institution: Technische Universität Darmstadt
• Project Head: Professorin Dr.-Ing. Bai-Xiang Xu