Phase transformation and incompatibility at grain boundaries in zirconia-based shape memory ceramics: a micromechanics-based simulation study

Abstract Zirconia-based shape memory ceramics (SMCs) exhibit anisotropic mechanical response when undergoing elastic deformations as well during austenite–martensite phase transformation. This behavior results in different types of strain incompatibility at grain boundaries, which we study here using a micromechanical model. A single-crystal model is implemented to provide full mechanistic three-dimensional description the martensitic transformation stress–strain response, including non-Schmid caused by significant volume change was calibrated and validated against compression tests zirconia micro-pillars conducted previously, then used bi-crystals. Upon introduction boundary, simulation provides detailed information on nucleation evolution martensite variants stress distribution boundaries. We identify bi-crystal configurations result very large concentrations low due incompatibility, others where relatively only occur strains. also show how this approach can be explore misorientation space for quantifying level SMCs Graphical abstract Micromechanics models insights boundary