Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates

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	Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates
	Y. X. Luo; J. M. Wang; J. Y. Wang; J. N. Li; Z. J. Hu
	2014
发表期刊	Journal of the American Ceramic Society
ISSN	0002-7820
卷号	97 期号:3 页码:945-951
摘要	Yttrium silicates are promising candidates for environmental and thermal barrier coatings owing to their excellent high-temperature performances. Previous works have experimentally attested to their low thermal conductivity, nevertheless, the experimental data were significantly affected by measurement inaccuracy and the existence of defects such as point defects, dislocations, grain boundaries, and pores in measured samples. In this study, the temperature dependences of intrinsic lattice thermal conductivities of -Y2Si2O7 and Y2SiO5 are predicted based on the first-principles calculations of crystal structure, elastic moduli, Debye temperature, and Gruneisen constant. Both silicates display very low thermal conductivities over the range of 300-2000K; and in addition, Y2SiO5 exhibits relatively lower thermal conductivity than -Y2Si2O7. We also show certain discrepancies between experimental and theoretical thermal conductivities, and it strengthens the important role of theoretical prediction of intrinsic lattice thermal conductivities of promising materials.
部门归属	[luo, yixiu ; wang, jiemin ; wang, jingyang] chinese acad sci, inst met res, high performance ceram div, shenyang natl lab mat sci, shenyang 110016, peoples r china. [li, junning ; hu, zijun] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, beijing 100076, peoples r china. ; wang, jy (reprint author), chinese acad sci, inst met res, high performance ceram div, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; jywang@imr.ac.cn
关键词	Mechanical-properties Barrier Coatings Gamma-y2si2o7 Y2sio5 Pyrochlore Stability
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/72562
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. X. Luo,J. M. Wang,J. Y. Wang,et al. Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates[J]. Journal of the American Ceramic Society,2014,97(3):945-951.
APA	Y. X. Luo,J. M. Wang,J. Y. Wang,J. N. Li,&Z. J. Hu.(2014).Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates.Journal of the American Ceramic Society,97(3),945-951.
MLA	Y. X. Luo,et al."Theoretical Predictions on Elastic Stiffness and Intrinsic Thermal Conductivities of Yttrium Silicates".Journal of the American Ceramic Society 97.3(2014):945-951.