Thermal conduction mechanism of ferroelastic Zr‐Y‐Yb‐Ta‐Nb‐O high‐entropy oxides with glass‐like thermal conductivity

Ferroelastic high‐entropy oxides (HEOs) with high fracture toughness and low thermal conductivity are promising topcoat materials for next‐generation thermal barrier coatings (TBCs). However, phonon transmission characteristics in the ferroelastic HEOs are less well understood due to their complicat...

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Bibliographic Details
Published in:Journal of the American Ceramic Society 2022-06, Vol.105 (6), p.4360-4374
Main Authors: Yao, Yao, Ren, Guoliang, Yu, Yali, Che, Junwei, Liang, Ting, Li, Ling, Liu, Yingguang, Yang, Fan, Zhao, Xiaofeng
Format: Article
Language:English
Subjects:
Crystal lattices
Crystal structure
Entropy
Fracture toughness
Heat conductivity
Heat transfer
high‐entropy oxide
Lattice vibration
molecular dynamic
Molecular dynamics
Niobium
Phonons
Tantalum
Thermal barrier coatings
Thermal conductivity
Vibration mode
Zirconium
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Summary:Ferroelastic high‐entropy oxides (HEOs) with high fracture toughness and low thermal conductivity are promising topcoat materials for next‐generation thermal barrier coatings (TBCs). However, phonon transmission characteristics in the ferroelastic HEOs are less well understood due to their complicated and highly‐disordered structure. Here we prepared two types of ferroelastic Zr‐Y‐Yb‐Ta‐Nb‐O HEOs and investigated their thermal conduction behaviors at 100–900°C. Hybrid Monte Carlo and molecular dynamic simulations were employed to understand the thermal conduction mechanism in this high‐entropy system. Results show the HEOs present glass‐like, low thermal conductivity (
ISSN:0002-7820
1551-2916
DOI:10.1111/jace.18374