Modelling combined with experimental data has been increasingly employed to better understand structure-property relationships in electroceramics. Exciting results have been unveiled in the field of ferroic materials, which are useful to develop the next generation of energy harvesting and storage, sensors and actuators. Often these are both chemically and structurally complex systems. Understanding the role of differently charged substituents, their lattice distribution, polar order/disorder on multiple length scales is of paramount importance to optimize their performance. Recent contributions in the field of materials genomics, for example the use of high-throughput DFT and artificial intelligence-based property inference, have shown their strength in complementing finite element modeling and phase field modeling approaches to uncover new or unseen structure-property relationships, and in designing new materials with improved functionalities.
This symposium targets the use of data-and/or physics-based modelling approaches combined with experimental data to rapidly uncover the structure-property relationships in complex, disordered solids, including ceramic relaxors, nanostructured metallic oxides, and semiconductors. The symposium themes will include the interplay of local structure, configurational entropy, ergodic-nonergodic behavior and instabilities induced by chemical substitution, and electric polarization on multiple length scales, and how it impacts macroscopic properties relevant for applications (energy storage, electromechanical and electrocaloric applications). Contributions involving advanced nano- to micro-scale characterization methods in synergy with multiscale modeling and physics-informed machine learning, providing key insights to better understanding the structure-property relationships in complex and disordered solids are welcomed.
Proposed sessions
- Theoretical foundations of data-driven models
- Local structure and properties of complex electroceramics
- Model-supported advanced nano- and microscale characterization methods
- Real-world applications
Lead Organizers
Antonio Feteira, Sheffield Hallam University, UK, a.feteira@shu.ac.uk
Prasanna V. Balachandran, University of Virginia, USA
Jiri Hlinka, Institute of Physics, Academy of Sciences of the Czech Republic, Czech Republic
Cristina Pascual-Gonzalez, Material Science Institute of Madrid, ICMM-CSIC, Spain
Sponsored By
