| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium on Thermodynamics of Microstructure Stability and Evolution
|
| Presentation Title |
Thermodynamics of strain phase equilibria and phase diagrams |
| Author(s) |
Bo Wang, Long-Qing Chen |
| On-Site Speaker (Planned) |
Bo Wang |
| Abstract Scope |
Strains play a pivotal role in stabilizing hidden phases and inducing exotic phenomena in low-dimensional solid-state materials. A comprehensive phase diagram that maps structural phases and domain variants in terms of strains and other thermodynamic variables is crucial for guiding strain engineering. Current theoretical methods either employ analytical thermodynamics assuming multi-phase/multi-domain configurations as a priori or involve extensive computational efforts, constraining efficient exploration of the high-dimensional strain space.
In this talk, I will first outline the development of thermodynamic theories concerning the impact of strains on phase equilibria in crystalline materials. I will then introduce a universal thermodynamic framework designed to efficiently construct strain phase diagrams for any solid-state material, eliminating the need for a priori assumptions on multi-phase/multi-domain coexistence. I will demonstrate the framework through the construction of strain/stress phase diagrams for various technology-relevant functional materials undergoing distinctive structural phase transformations, such as PbZr1-xTixO3, BaTiO3, K0.5Na0.5NbO3, Hf0.5Zr0.5O2, and VO2. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Phase Transformations, Computational Materials Science & Engineering, Modeling and Simulation |