Abstract
Based on the optimized structures, the individual elastic stiffness constants Cij of three ambient pressure polymorphs including cubic (fluorite, Fm3¯m), tetragonal (P42/nmc) and monoclinic (baddeleyite, P21/c), as well as three high-pressure orthorhombic polymorphs containing ortho-I (brookite, Pbca), ortho-II (cotunnite, Pnma) and ortho-III (Pca21) phases of ZrO2 have been calculated by finite difference method. Accordingly, the mechanical properties of the polycrystalline aggregates including bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio υ and universal elastic anisotropy index AU have been predicted. It is found that, the ortho-II (Pnma), ortho-I (Pbca) and cubic phases have higher fracture strength, while the ortho-II (Pnma), ortho-III (Pca21) and cubic phases have higher yield strength and plastic strength. The ductility of the six polycrystalline ZrO2 phases decreases in the sequence of tetragonal, ortho-I (Pbca), ortho-II (Pnma), cubic, ortho-III (Pca21) and monoclinic. The elastic anisotropy of tetragonal (especially) and cubic ZrO2 is larger and prone to cause stress concentration and micro-cracks.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
