Crystal structure,mechanical and thermal properties of Yb4Al2O9: A combination of experimental and theoretical investigations |
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Affiliation: | 1. Department of Materials Science and Engineering, University of Virginia, Charlottesville, VA 22904, United States;2. Materials Department, University of California, Santa Barbara, CA 93106-5050, United States |
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Abstract: | The key requirements for a successful thermal and environmental barrier coating (T/EBC) material include stability in high temperature water vapor, low Young's modulus, close thermal expansion coefficient (TEC) with mullite, low thermal conductivity and weak mechanical anisotropy. The current prime candidates for top coat are ytterbium silicates (Yb2SiO5 and Yb2Si2O7). A major weakness of these two silicates is the severe anisotropy in mechanical properties and thermal expansion that would lead to cracking of the coating. Thus, searching for new materials with weak mechanical and thermal anisotropy is of signification. In this work, the crystal structure, mechanical and thermal properties of a promising T/EBC candidate, Yb4Al2O9, are investigated theoretically and experimentally. Good ductility, low shear deformation resistance, low Young's modulus (151 GPa) and low thermal conductivity (0.78 W m−1 K−1) is underpinned by heterogeneous bonding characteristic and distortion of the structure. Close TEC (6.27 × 10−6 K−1) with mullite and weak mechanical anisotropy highlight the suitability of Yb4Al2O9 as a prospective T/EBC. |
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Keywords: | Rare-earth aluminates Thermal and environmental barrier coating First-principles calculation Mechanical property Thermal property |
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