| Abstract Scope |
Shape memory ferroic materials undergo recoverable domain switching and/or phase transformation, primarily martensitic phase transformation (MPT), under different stimuli. Different applications of ferroic materials require unique hysteresis characteristics for optimal performance. This talk focuses on zirconia-based ceramics, which exhibit deformation-induced MPT mediating their superelastic and shape memory behaviors, while a tetragonal-prime phase produced by non-equilibrium solidification mediates their ferroelastic behavior. To date, existing experimental work has not clearly explained the details of the coupling between MPT and ferroelasticity, and no explicit relationships have been established between shape memory and ferroelastic reversible switching and intrinsic texture and extrinsic features. We will present a comprehensive multiscale computational framework integrating molecular dynamics and phase-field modeling to investigate the thermodynamics and kinetics of shape memory, superelasticity, and ferroelasticity of zirconia-based ceramics. The aim is to study nano/microstructure evolution, determine the underlying mechanisms controlling these functional behaviors, and design hysteresis responses for various applications. |