Competing Mechanisms Between Dislocation and Phase Transformation in Plastic Deformation of Single Crystalline Yttria-Stabilized Tetragonal Zirconia Nanopillars
Molecular dynamics (MD) is employed to investigate the plastic deformation mechanisms of single crystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars under uniaxial compression. Simulation results show that the nanoscale plastic deformation of YSTZ is strongly dependent on the crystallographic orientation of zirconia nanopillars. For the first time, the experimental explored tetragonal to monoclinic phase transformation is reproduced by MD simulations in some particular loading directions. Three distinct mechanisms of dislocation, phase transformation, and a combination of dislocation and phase transformation are identified when applying compressive loading along different directions. The strength of zirconia nanopillars exhibits a sensitive behavior depending on the failure mechanisms, such that the dislocation-mediated deformation leads to the lowest strength, while the phase transformation-dominated deformation results in the highest strength.
N. Zhang and M. Asle Zaeem, "Competing Mechanisms Between Dislocation and Phase Transformation in Plastic Deformation of Single Crystalline Yttria-Stabilized Tetragonal Zirconia Nanopillars," Acta Materialia, vol. 120, pp. 337-347, Elsevier Ltd, Nov 2016.
The definitive version is available at http://dx.doi.org/10.1016/j.actamat.2016.08.075
Materials Science and Engineering
Center for High Performance Computing Research
Keywords and Phrases
Crystalline Materials; Dislocations (Crystals); Molecular Dynamics; Nanostructures; Phase Transitions; Plastic Deformation; Yttria Stabilized Zirconia; Yttrium Alloys; Competing Mechanisms; Compressive Loading; Crystallographic Orientations; Plastic Deformation Mechanisms; Single-Crystalline; Tetragonal to Monoclinic Phase Transformations; Uni-Axial Compression; Yttria Stabilized Tetragonal Zirconias; Zirconia
International Standard Serial Number (ISSN)
Article - Journal
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