Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)

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	Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)
	Y. C. Zhou; B. Liu
	2013
发表期刊	Journal of the European Ceramic Society
ISSN	0955-2219
卷号	33 期号:13-14 页码:2817-2821
摘要	Minimum lattice thermal conductivities and mechanical properties of polymorphous MPO4 (M = Al, Ga) are investigated by first principles calculations. The theoretical minimum thermal conductivities are found to be 1.02W (m K)(-1) for alpha-AlPO4, 1.20W (m K)(-1) for beta-AlPO4, 0.87W (m K)(-1) for alpha-GaPO4 and 0.88W (m K)(-1) for beta-GaPO4. The lower thermal conductivities in comparison to YSZ can be attributed to the lattice phonon scattering due to the framework of heterogeneous bonds. In addition, the low shear-to-bulk modulus ratio for both beta-AlPO4 (0.38) and beta-GaPO4 (0.30) is observed. Our results suggest their applications as light-weight thermal insulator and damage-tolerant/machinable ceramics. (C) 2013 Elsevier Ltd. All rights reserved.
部门归属	[zhou, yanchun] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, beijing 100076, peoples r china. [liu, bin] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; zhou, yc (reprint author), aerosp res inst mat & proc technol, sci & technol adv funct composite lab, 1 south dahongmen rd, beijing 100076, peoples r china. ; yczhou714@gmail.com ; binliu1981@hotmail.com
关键词	Ceramic Thermal Conductivity Mechanical Properties First Principles Calculations Elastic Stiffness Barrier Coatings Conductivity Pyrochlore Stability Berlinite Constants Crystals
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/321006/71744
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. C. Zhou,B. Liu. Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)[J]. Journal of the European Ceramic Society,2013,33(13-14):2817-2821.
APA	Y. C. Zhou,&B. Liu.(2013).Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga).Journal of the European Ceramic Society,33(13-14),2817-2821.
MLA	Y. C. Zhou,et al."Theoretical investigation of mechanical and thermal properties of MPO4 (M = Al, Ga)".Journal of the European Ceramic Society 33.13-14(2013):2817-2821.