Skip to main content

Research Repository

Advanced Search

Enhanced doping effects of multi?element on anisotropic thermal expansion in ZrO2 with new compositions

Qu, Liu; Choy, Kwang?Leong; Wheatley, Richard

Enhanced doping effects of multi?element on anisotropic thermal expansion in ZrO2  with new compositions Thumbnail


Authors

Liu Qu

Kwang?Leong Choy

Profile Image

RICHARD WHEATLEY RICHARD.WHEATLEY@NOTTINGHAM.AC.UK
Associate Professor & Reader in Theoretical Chemistry



Abstract

Coefficient of thermal expansion (CTE) of a solid material plays a critical role for a variety of high temperature applications such as thermal barrier coating (TBC) systems during the thermal cycling process. Ceramics contain ionic bonds; hence they tend to exhibit lower CTE values than alloys/metals. Developing new ceramic thermal barrier materials using promising dopants and compositions that have higher CTE values than the conventional 6‐8 wt.% Y2O3 stabilized ZrO2 (8YSZ) will contribute to the decrease in thermal expansion mismatch between a typical ceramic 8YSZ (10~11×10‐6 °C‐1) top coat and a metal alloy based bond coat such as NiCrAlY (14~17×10‐6 °C‐1),1, 2 which is highly desirable. This work reports design, modelling, synthesis, and characterization of promising new compositions based on Dy3+, Al3+ and Ce4+ doped YSZ that consist of the tetragonal structure and have an enhanced thermal expansion than 8YSZ. The intrinsic CTE at the atomic level has been investigated via molecular dynamics (MD) simulation. The atomic scale analysis provides new insights into the enhanced doping effects of multiple trivalent and tetravalent cations on the lattice structure, lattice energy and thermal expansion in ZrO2. The calculated lattice energy becomes smaller with the incorporation of Dy3+, Al3+, and Ce4+ ions, which corresponds strongly to the increase in CTE. The crystalline size is reduced due to the incorporation of the Al3+ and Ce4+, whereas the sintering resistance is enhanced ascribed to the addition of Dy3+ and Al3+. Doping Dy3+, Al3+, and Ce4+ cations to YSZ increased the CTE value of YSZ and for Dy0.03Y0.075Zr0.895O1.948, the CTE is 12.494×10‐6 °C‐1 at 900°C, which has an 11% increase, as compared with that of 8YSZ.

Citation

Qu, L., Choy, K., & Wheatley, R. (2020). Enhanced doping effects of multi?element on anisotropic thermal expansion in ZrO2 with new compositions. Journal of the American Ceramic Society, 103(10), 5881-5890. https://doi.org/10.1111/jace.17223

Journal Article Type Article
Acceptance Date May 17, 2020
Online Publication Date May 17, 2020
Publication Date 2020-10
Deposit Date Jun 15, 2020
Publicly Available Date Mar 29, 2024
Journal Journal of the American Ceramic Society
Print ISSN 0002-7820
Electronic ISSN 1551-2916
Publisher Wiley
Peer Reviewed Peer Reviewed
Volume 103
Issue 10
Pages 5881-5890
DOI https://doi.org/10.1111/jace.17223
Keywords Materials Chemistry; Ceramics and Composites
Public URL https://nottingham-repository.worktribe.com/output/4654040
Publisher URL https://ceramics.onlinelibrary.wiley.com/doi/abs/10.1111/jace.17223
Additional Information This is the peer reviewed version of the following article: Qu, L., Choy, K.?L. and Wheatley, R. (2020), Enhanced doping effects of multi?element on anisotropic thermal expansion in ZrO2 with new compositions. J Am Ceram Soc., which has been published in final form at https://doi.org/10.1111/jace.17223. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.

Files




You might also like



Downloadable Citations