Calculation of Thermal Expansion Coefficient of Rare Earth Zirconate System at High Temperature by First Principles

Calculation of Thermal Expansion Coefficient of Rare Earth Zirconate System at High Temperature by First Principles

Compounds of rare earth zirconates with pyrochlore structure are candidates for the application of thermal barrier coatings of next generation. In order to modify the mechanic properties and maintain the low thermal conductivity, other trivalent rare-earth element substitution is commonly used. Pres...

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Bibliographic Details
Main Authors: Xingqi Wang, Xue Bai, Wei Xiao, Yuyang Liu, Xiaoning Li, Jianwei Wang, Cheng Peng, Lijun Wang, Xingming Wang
Format: Article
Language:English
Published: MDPI AG 2022-03-01
Series:Materials
Subjects:
thermal expansion coefficient
rare earth zirconates
first principles calculation
Yb doped Gd<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub>
Online Access:https://www.mdpi.com/1996-1944/15/6/2264

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https://www.mdpi.com/1996-1944/15/6/2264

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