About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Mechanism of ferroelastic domain nucleation: A phase-field study |
Author(s) |
Avisor Bhattacharya, Mohsen Asle Zaeem |
On-Site Speaker (Planned) |
Avisor Bhattacharya |
Abstract Scope |
Nucleation is a crucial step in ferroelastic domain switching which very often mediates ferroelectricity in a wide range of important applications. Experimental and theoretical studies have revealed different shapes of nuclei without proper understanding of the reason for such shapes. In the present work, we perform phase-field simulations of ferroelastic domain switching in a single crystal of yttria-stabilized-zirconia subjected to deformation and study the nucleation of domains under reversed loading. We observe that after the first compressive loading, coherent domain walls develop non-smooth features like step, corners and crevices, and the nucleation primarily takes place in these sites. It appears that at steps and corners, triangular prismatic and at the crevices, oblate spheroid shaped nuclei form. The change in elastic energy drives the nucleation and we have estimated that the nucleation barrier is in the order of 10^3 kT. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Phase Transformations, Mechanical Properties |