Theoretical investigation of mechanical and thermal properties of RE2Hf2O7 (RE=La, Ce, Pr, Nd, Pm and Sm) pyrochlore oxides
| Autor: | Li Dai, Mingcheng Sun, Yanjun Zhang, Kai Gao, Guiping Zhou, Sui Yuqiu, Che Tan |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Process Chemistry and Technology Rare earth Pyrochlore Thermodynamics 02 engineering and technology engineering.material 021001 nanoscience & nanotechnology 01 natural sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Thermal barrier coating Thermal conductivity Lattice (order) 0103 physical sciences Thermal Materials Chemistry Ceramics and Composites engineering 0210 nano-technology Yttria-stabilized zirconia |
| Zdroj: | Ceramics International. 45:12101-12105 |
| ISSN: | 0272-8842 |
| DOI: | 10.1016/j.ceramint.2019.03.108 |
| Popis: | We applied first-principles calculations to study the relationship between structure and properties (e.g. the thermal conductivity and the elastic stiffness) of the rare-earth pyrochlores with the general formula RE2Hf2O7, where RE is La, Ce, Pr, Nd, Pm and Sm. The lattice parameters of these pyrochlores increase with the RE radii increasing in the order from Sm to La. RE2Hf2O7 with RE = Ce, Pr, Nd, Pm and Sm have similar mechanical and thermal properties. However, for mechanical and thermal properties, La2Hf2O7 is lower than other pyrochlores. Thermal conductivities of these materials are in the range of 1.38–1.62 W m−1 K−1 which are all lower than the thermal conductivity of yttria stabilized zirconia. Therefore, rare earth hafnate pyrochlores are predicted to promising candidates as thermal barrier coatings. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect