Project Details
Projekt
Non-isothermal Phase-field Simulation of (Ultra-)fast Sintering and Process-Microstructure Optimization
Applicant
Professorin Dr.-Ing. Bai-Xiang Xu
Subject Area
Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
Synthesis and Properties of Functional Materials
Synthesis and Properties of Functional Materials
Term
since 2026
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 556363981
Novel sintering techniques, such as photonic sintering and ultrafast high-temperature sintering, reduce sintering time and boost sample productivity. Potential of such techniques for protonic ceramics optimization is appealing. Their unique thermal conditions, e.g. high heating rates and heterogeneous thermal profile, impact the grain boundary kinetics during sintering and the resultant microstructure. It offers new possibilities to tune the dopants and defect distribution at grain boundary regions and in the bulk, both decisive for proton conductivity of the ceramics, key merit for their application in protonic electrochemical cells. However, the fundamental mechanisms are intricating, involving interaction among densification, grain growth, defect chemistry and heat transport. To understand and optimize these novel sintering methods for improved protonic ceramics, a defect-chemistry-informed non-isothermal phase-field sintering model will be developed in this project. Based on the proposed model, high-throughput finite element calculations will be carried out to simulate sintering of BaZr0 8Y0 2O3 and BaCe0 4Zr0 4Y0 2O3-based protonic ceramics, along with systematic parameter studies on powder and process conditions. Alongside the acquisition of fundamental insights into the underlying mechanisms of the sintering process, the simulations aim to produce a comprehensive microstructure data set. They will be employed for machine learning of the process-microstructure relation and for data-driven inverse design of the powder and process parameters towards the desired microstructure of protonic ceramics. With the aimed phase-field sintering simulations and machine learning models of the process-microstructure relations, the current project makes substantive contributions to the overarching goals of the Research Unit SynDiPET. In turn, it derives significant benefits through close bilateral collaborations with all associated subprojects of the FOR.
DFG Programme
Research Units
