金属热处理 ›› 2024, Vol. 49 ›› Issue (6): 248-253.DOI: 10.13251/j.issn.0254-6051.2024.06.039

• 数值模拟 • 上一篇    下一篇

纳米裂纹对8YSZ热障涂层热传导和离子扩散的影响

陈宇慧, 孙家祥, 姜鹏洋, 柴纵华, 张百强   

  1. 郑州轻工业大学 能源与动力工程学院, 河南 郑州 450002
  • 收稿日期:2023-11-25 修回日期:2024-04-19 出版日期:2024-06-25 发布日期:2024-07-29
  • 作者简介:陈宇慧(1986—),女,副教授,博士,主要研究方向为先进复合材料制备与热力学性能,E-mail:chenyh@zzuli.edu.cn
  • 基金资助:
    国家自然科学基金(51705474);河南省科技攻关项目(212102210299)

Effect of nano-cracks on heat conduction and ion diffusion of 8YSZ thermal barrier coatings

Chen Yuhui, Sun Jiaxiang, Jiang Pengyang, Chai Zonghua, Zhang Baiqiang   

  1. School of Energy and Power Engineering, Zhengzhou University of Light Industry, Zhengzhou Henan 450002, China
  • Received:2023-11-25 Revised:2024-04-19 Online:2024-06-25 Published:2024-07-29

摘要: 通过非平衡分子动力学方法研究了纳米裂纹对立方相8YSZ(8mol%Y2O3,稳定ZrO2)热障涂层在1473 K温度条件下的热输运特性、离子扩散情况的影响,阐述了裂纹位置、裂纹长度、裂纹数量对8YSZ热障涂层热导率及离子扩散的影响。结果表明,纳米裂纹在模型两侧交叉排列比裂纹在模型同侧沿热流方向均匀分布时的材料热导率更低,但裂纹位置分布对O2-扩散影响很小;随着裂纹长度或数量的增加,热导率降低,O2-迁移变慢,发现数量多而分布均匀的较小裂纹比数量少而长度较长的裂纹对8YSZ热障涂层热输运的抑制要更加强烈。

关键词: 热障涂层, 分子动力学模拟, 离子扩散, 热导率, 声子散射

Abstract: Effect of nano-cracks on thermal transport properties and ion diffusion of 8YSZ (8mol% Y2O3, stabilizing ZrO2) thermal barrier coating at 1473 K was studied by means of non-equilibrium molecular dynamics method. The effects of crack location, crack length and crack number on thermal conductivity and ion diffusion of the 8YSZ thermal barrier coating were described. The results show that the thermal conductivity of the material with the nano-cracks cross wise arrange on both sides of the model is lower than that with the cracks evenly distribute along the heat flow direction on the same side of the model, but the crack location distribution has a little effect on the diffusion of O2-. With the increase of crack length or number, the thermal conductivity decreases and the O2- migration slows down. It is found that small cracks with a large number and uniform distribution have a stronger inhibition on the thermal transport of the 8YSZ thermal barrier coating than those with a small number and long length.

Key words: thermal barrier coating, molecular dynamics simulation, ion diffusion, thermal conductivity, phonon scattering

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