Abstract
Shape memory ceramics, such as yttria-stabilized tetragonal zirconia (YSTZ), offer unique properties including ultra-high operating temperatures and high resistance to oxidation. However, they are susceptible to formation of defects during manufacturing and/or by mechanical deformation. To completely take advantage of their shape memory properties, it is necessary to fully understand the nano-structural evolution of defects under external stimuli. In this study, defect evolution behaviors in YSTZ nanopillars are investigated by atomistic simulations. Two characteristic orientations of left[ {01bar 1} right] and [001] are selected to represent the dominant deformation mechanisms of phase transformation and dislocation migration, respectively. Volume expansion associated with the tetragonal to monoclinic phase transformation is observed to promote healing of crack and void. Atom stress analyses reveal stress concentrations along the newly formed monoclinic phase bands. A critical crack width is identified, less than which the crack can be fully closed in compression. For [001]-oriented YSTZ nanopillars, dislocation migration leads to formations of an amorphous phase, which also assist the crack and void closure process. The revealed crack/void healing mechanisms may provide a path for mitigating internal defects that influences the mechanical properties and deformation mechanisms of shape memory ceramics.
Highlights
Shape memory (SM) ceramics are a unique family of SM materials with a wide variety of applications, such as ultra-high energy dissipation and high-temperature actuation
Slight strength discrepancy is observed for nanopillars with different crack sizes, especially when the crack width is smaller than 2.0 nm
For all the nanopillars with pre-existing cracks, after the major sudden stress drop at ɛ ≈ 0.6%, an increase of plastic stress is observed in the strain region of 0.6% < ɛ< 1.2%, which is not observed for the defect-free yttria-stabilized tetragonal zirconia (YSTZ) nanopillar
Summary
Shape memory (SM) ceramics are a unique family of SM materials with a wide variety of applications, such as ultra-high energy dissipation and high-temperature actuation. This paper is aiming at investigating the effects of phase transformation and dislocation migration on crack/void healing in 4.0 mol% YSTZ nanopillars under compressive loading.
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