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Research Article | Open Access | Just Accepted

Design and experimental investigation of potential low-thermal-conductivity high-entropy rare-earth zirconates

Lu LiuaHongying Donga( )Peng ZhangbShaokun WangaHaolei QiaMengyu DingaZhefeng LibYu BaibWen Mab( )

aSchool of Chemical Engineering, Inner Mongolia University of Technology, Hohhot 010051, China

bInner Mongolia Key Laboratory of Thin Film and Coatings, School of Materials Science and Engineering, Inner Mongolia University of Technology, Hohhot 010051, China

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Abstract

Developing new high-entropy rare-earth zirconate (HE-RE2Zr2O7) ceramics with low thermal conductivity is essential for thermal barrier coating materials. In this work, the average atomic spacings, interatomic forces, and average atomic masses of 16 rare-earth elements occupying the A site of the cubic A2B2O7 crystal structure were calculated by density functional theory. These three physical qualities, as vectors, characterise the corresponding rare-earth elements. The distance between the two vectors quantitatively describes the difference between two rare-earth elements. For greater difference between two rare-earth elements, the disorder degree of HE-RE2Zr2O7 is higher, and therefore the thermal conductivity is lower. From theoretical calculation, the thermal conductivity of the ceramics gradually increases in the order (Sc0.2Y0.2La0.2Ho0.2Yb0.2)2Zr2O7, (Sc0.2Ce0.2Nd0.2Eu0.2Gd0.2)2Zr2O7, (Sc0.2Y0.2Tm0.2Yb0.2Lu0.2)2Zr2O7, and (Sc0.2Er0.2Tm0.2Yb0.2Lu0.2)2Zr2O7. Using the solution precursor plasma spray method and pressureless sintering method, four types of HE-RE2Zr2O7 powder and bulk samples were prepared. The samples all showed a single defective fluorite structure with uniform distribution of the elements and a stable phase structure. The thermal conductivities of the sintered HE-RE2Zr2O7 bulk samples were in the range 1.30–1.45 W·m−1·K−1 at 1400 °C, and their differences were consistent with the theoretical calculation results. Among the ceramics, (Sc0.2Y0.2La0.2Ho0.2Yb0.2)2Zr2O7 showed the lowest thermal conductivity (1.30 W∙m−1∙K−1, 1400 °C), highest thermal expansion coefficient (10.19 × 10−6 K−1, 200–1400 °C), highest fracture toughness (1.69 ± 0.28 MPa∙m1/2), and smallest brittleness index (3.03·μm−1/2). Therefore, (Sc0.2Y0.2La0.2Ho0.2Yb0.2)2Zr2O7 is considered to be an ideal candidate material for next-generation thermal barrier coating applications.

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Journal of Advanced Ceramics
Cite this article:
Liu L, Dong H, Zhang P, et al. Design and experimental investigation of potential low-thermal-conductivity high-entropy rare-earth zirconates. Journal of Advanced Ceramics, 2024, https://doi.org/10.26599/JAC.2024.9220923

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Received: 15 March 2024
Revised: 06 May 2024
Accepted: 06 June 2024
Available online: 09 June 2024

© The author(s) 2024

The articles published in this open access journal are distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/).

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