About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior at the Nanoscale VIII
|
| Presentation Title |
Multiscale Understanding of Ferroelasticity in Shape Memory Ceramics |
| Author(s) |
Mohsen Asle Zaeem |
| On-Site Speaker (Planned) |
Mohsen Asle Zaeem |
| Abstract Scope |
This work presents a multiscale investigation of ferroelasticity in shape memory ceramics (SMCs) by integrating molecular dynamics (MD) simulations and phase-field (PF) modeling. MD simulations reveal the formation of a stabelized metastable phase via rapid quenching from the cubic phase and demonstrate orientation-dependent domain switching under uniaxial compression. The resulting stress–strain hysteresis is shown to be facilitated by reversible domain switching, with structural evolution confirmed using radial distribution functions and virtual X-ray diffraction. A PF model is developed to simulate ferroelastic domain behavior at the mesoscale, capturing hysteresis arising from domain switching and enabling detailed study of the effects of loading condition and initial nanostructure. Simulations show that the nucleation of ferroelastic domain switching initiates at nanoscale geometric features due to local strain energy relaxation. The integrated framework reveals how nano/micro-structural features and loading conditions govern switching pathways, kinetics, reversibility, and stress–strain hysteresis response in SMCs. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Modeling and Simulation, Ceramics |