Effects of Crystal Orientation and Pre-existing Defects on Nanoscale Mechanical Properties of Yttria-Stabilized Tetragonal Zirconia Thin Films
Tóm tắt
Effects of crystal orientation and pre-existing defects on tensile properties of yttria-stabilized tetragonal zirconia (YSTZ) thin films are investigated by large-scale molecular dynamics simulations. The tensile strength and strain show clear orientation dependence. Under uniaxial tensile loading, the YSTZ thin films are found to fail through fracture along {110} cleavage planes. <110> dislocations are observed to form in the [100]-, [010]- and [001]-oriented models. Besides, the {110} cleavage planes are noticed to be rough, twisted and tangled around the center of the [100]- and [001]-oriented films, which is responsible for large strains at tensile strength. The simulated Young’s modulus and tensile strength are comparable to the experimental and first principle values. Overall, pre-existing defects could change the fracture pathway and negatively affect the tensile strength and strain in most of the studied cases.
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