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第一性原理在热障涂层研究中的应用

蔺奕龙 邹兰欣 戴建伟 郑海忠 郭磊 叶福兴 刘洪丽

现代技术陶瓷2025,Vol.46Issue(1):24-51,28.
现代技术陶瓷2025,Vol.46Issue(1):24-51,28.DOI:10.16253/j.cnki.37-1226/tq.2025.01.002

第一性原理在热障涂层研究中的应用

First-Principles Application in the Research Field of Thermal Barrier Coating

蔺奕龙 1邹兰欣 1戴建伟 2郑海忠 3郭磊 1叶福兴 1刘洪丽4

作者信息

  • 1. 天津大学材料科学与工程学院,天津 300072||天津大学现代连接技术重点实验室,天津 300072
  • 2. 中国航发北京航空材料研究院,北京 100095
  • 3. 南昌航空大学材料学院,南昌 300063
  • 4. 中国民航大学航空工程学院,天津 300300
  • 折叠

摘要

Abstract

thermal barrier coatings(TBC)is a pivotal technology in reducing the surface temperature of the aero engines hot-sections.As the engine service temperature rises and the working environments of TBC become harsher,conventional Yttrium-stabilized zirconia(YSZ)TBC is facing serious problems such as phase transition,high temperature sintering,and corrosion of environmental deposits(CMAS),which leads to a significant decrease in service life and threatens the safe operation of the engine.Therefore,the development of new TBC materials is urgently needed.With the development of computational materials science and machine learning techniques,the traditional method to find novel TBC materials which relying on experiments is gradually replaced by theoretical computational methods.As an effective analysis method,the first-principle can significantly reduce the material development period as well as related cost,thus playing an important role in promoting the research of TBCs.The first-principle calculation can predict the thermophysical and mechanical properties of TBC materials as well as the stability of coatings in complex service environments.This review summarizes the application of the first-principle calculation in the development of new TBC materials,and CMAS corrosion behaviour and mechanism of TBCs.Finally,the future development of the first-principle in the field of TBC research was forecasted.

关键词

热障涂层/第一性原理/材料研发/热物理性能/力学性能/CMAS腐蚀

Key words

thermal barrier coating/first-principles/development of new TBC materials/thermophysical property/mechanical property/CMAS corrosion

分类

矿业与冶金

引用本文复制引用

蔺奕龙,邹兰欣,戴建伟,郑海忠,郭磊,叶福兴,刘洪丽..第一性原理在热障涂层研究中的应用[J].现代技术陶瓷,2025,46(1):24-51,28.

现代技术陶瓷

1005-1198

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