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尺寸效应对YSZ热障涂层热传导和离子扩散的影响

陈宇慧 姜鹏洋 孙家祥 张百强 宋俊 吴学红

陈宇慧, 姜鹏洋, 孙家祥, 等. 尺寸效应对YSZ热障涂层热传导和离子扩散的影响[J]. 复合材料学报, 2023, 40(6): 3594-3600. doi: 10.13801/j.cnki.fhclxb.20220831.001
引用本文: 陈宇慧, 姜鹏洋, 孙家祥, 等. 尺寸效应对YSZ热障涂层热传导和离子扩散的影响[J]. 复合材料学报, 2023, 40(6): 3594-3600. doi: 10.13801/j.cnki.fhclxb.20220831.001
CHEN Yuhui, JIANG Pengyang, SUN Jiaxiang, et al. Size effect on heat transfer and ions distribution in yttria-stabilized zirconia[J]. Acta Materiae Compositae Sinica, 2023, 40(6): 3594-3600. doi: 10.13801/j.cnki.fhclxb.20220831.001
Citation: CHEN Yuhui, JIANG Pengyang, SUN Jiaxiang, et al. Size effect on heat transfer and ions distribution in yttria-stabilized zirconia[J]. Acta Materiae Compositae Sinica, 2023, 40(6): 3594-3600. doi: 10.13801/j.cnki.fhclxb.20220831.001

尺寸效应对YSZ热障涂层热传导和离子扩散的影响

doi: 10.13801/j.cnki.fhclxb.20220831.001
基金项目: 国家自然科学基金(51705474);河南省科技攻关项目(212102210299)
详细信息
    通讯作者:

    陈宇慧,博士,副教授,硕士生导师,研究方向为先进复合材料的制备与热物理性能多尺度研究研究 E-mail: chenyh@zzuli.edu.cn

  • 中图分类号: TB332

Size effect on heat transfer and ions distribution in yttria-stabilized zirconia

Funds: National Natural Science Foundation of China (51705474);Project of Science and Technology Tackling Key Problems in Henan Province (212102210299)
  • 摘要: 8mol%Y2O3稳定ZrO2(8mol%Yttria-stabilized zirconia,8YSZ)作为热障涂层被广泛应用于燃气轮机和航空发动机,以减少热气体和金属部件之间的传热。但随着服役温度的提升,对其热性能的研究很难进行。采用非平衡分子动力学模拟的方法研究了模型尺寸效应对8YSZ热导率和离子扩散的影响,探讨了服役条件下YSZ的离子扩散及热输运行为。以立方8YSZ(c-8YSZ)作为研究对象,模拟服役温度为1273~1473 K时,分别计算了模型横截面积为4a×4a、5a×5a、6a×6a (a为晶格常数)的热导率,发现横截面积对计算结果影响较小。选取横截面积为5a×5a时,对比了5a、15a、25a、35a、45a、50a、55a、60a、65a不同结构长度模型的热导率计算结果,进行尺寸效应研究,确定5a×5a×60a为模型最佳尺寸。同时揭示了1273~1473 K下c-8YSZ热输运机制,发现c-8YSZ与四方8YSZ(t-8YSZ)存在不同的声子散射,发现增强声子散射能够有效抑制YSZ服役状态下的热输运能力,为提高热障涂层在高温服役状态下的隔热性能提供了理论依据。

     

  • 图  1  8mol%Y2O3稳定ZrO2(8 YSZ)模型系统热浴示意图

    Figure  1.  Model system heat bath diagram on 8mol%Y2O3-stabilized ZrO2 (8 YSZ)

    Lx—Model length; z—Direction of heat flux

    图  2  8YSZ热导率随模型结构长度的变化关系(a为晶格常数)

    Figure  2.  Effect of model structure length on calculated thermal conductivity of 8YSZ (a is the lattice constant)

    Δ—Relative error between calculated and standard values of thermal conductivity

    图  3  8YSZ在1473 K下不同模型中O2−的均方位移(MSD)

    Figure  3.  Mean square displacement (MSD) of O2− ions in different models at 1473 K for 8YSZ

    图  4  8YSZ在1473 K下不同温度中O2−的MSD

    Figure  4.  MSD of O2− ions in different temperatures at 1473 K for 8YSZ

    图  5  8YSZ在不同温度下O2−的MSD

    Figure  5.  MSD of 8YSZ O2− ions at different temperatures

    图  6  高温下立方8YSZ(c-8YSZ)模拟的热导率、实验和文献中四方YSZ (t-YSZ)模拟的热导率

    Figure  6.  Thermal conductivity of cubic 8YSZ (c-8YSZ) simulations at high temperatures, experimental and tetragonal YSZ (t-YSZ) simulations in the literature

    表  1  分子动力学中所采用的势函数参数

    Table  1.   Potential functions used in molecular dynamics

    Interatomic interactions/i-jAij/eVρij/nmCij/(eV·nm6)
    Zr4+-O2− 985.869 0.0376 0
    Y3+-O2− 1325.60 0.0349 0
    O2−-O2− 22764.3 0.0149 2.789×10−5
    Notes: Aij, ρij and Cij—Buckingham potential parameters.
    下载: 导出CSV
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出版历程
  • 收稿日期:  2022-07-07
  • 修回日期:  2022-08-16
  • 录用日期:  2022-08-18
  • 网络出版日期:  2022-08-31
  • 刊出日期:  2023-06-15

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