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Theoretical Prediction of Elastic Stiffness and Minimum Lattice Thermal Conductivity of Y3Al5O12, YAlO3 and Y4Al2O9
X. Zhan; Z. Li; B. Liu; J. Y. Wang; Y. C. Zhou; Z. J. Hu
2012
发表期刊Journal of the American Ceramic Society
ISSN0002-7820
卷号95期号:4页码:1429-1434
摘要Combining Clarke's model with first-principles calculation of average sound velocity, the minimum lattice thermal conductivities (kappa(min)) of Y3Al5O12 (YAG), YAlO3 (YAP) and Y4Al2O9 (YAM) are predicted to be 1.59, 1.61, and 1.10 W.(m.K)(-1), respectively. The weak Y-O polyhedra provide "weak zones" that scattering phonons and lead to the low kappa(min) of ternary Y-Al-O compounds. In addition, the extremely low kappa(min) of YAM is attributed to its higher levels of local disorder of crystal structure and weaker chemical bonding compared with those of YAG and YAP. Inspired by theoretical predictions, dense and phase-pure YAM is synthesized and the experimental thermal conductivity is only 1.56 W.(m.K)(-1) at 1273 K. Finally, YAM is highlighted as a potential thermal barrier material for its low thermal conductivities at temperatures from 473 to 1273 K.
部门归属[zhan, xun; li, zhen; wang, jingyang] chinese acad sci, inst met res, shenyang natl lab mat sci, high performance ceram div, shenyang 110016, peoples r china. [zhan, xun; li, zhen] chinese acad sci, grad sch, beijing 100039, peoples r china. [liu, bin] kyoto univ, dept mat sci & engn, kyoto 6068501, japan. [zhou, yanchun; hu, zijun] aerosp res inst mat & proc technol, beijing 100076, peoples r china. [zhou, yanchun] amer ceram soc, westerville, oh usa.;wang, jy (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, high performance ceram div, shenyang 110016, peoples r china.;jywang@imr.ac.cn; yczhou714@gmail.com
关键词Barrier Coatings Single-crystal Gas Stability
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文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/60430
专题中国科学院金属研究所
推荐引用方式
GB/T 7714
X. Zhan,Z. Li,B. Liu,et al. Theoretical Prediction of Elastic Stiffness and Minimum Lattice Thermal Conductivity of Y3Al5O12, YAlO3 and Y4Al2O9[J]. Journal of the American Ceramic Society,2012,95(4):1429-1434.
APA X. Zhan,Z. Li,B. Liu,J. Y. Wang,Y. C. Zhou,&Z. J. Hu.(2012).Theoretical Prediction of Elastic Stiffness and Minimum Lattice Thermal Conductivity of Y3Al5O12, YAlO3 and Y4Al2O9.Journal of the American Ceramic Society,95(4),1429-1434.
MLA X. Zhan,et al."Theoretical Prediction of Elastic Stiffness and Minimum Lattice Thermal Conductivity of Y3Al5O12, YAlO3 and Y4Al2O9".Journal of the American Ceramic Society 95.4(2012):1429-1434.
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