Theoretical Study on the Mechanism of Anisotropic Thermal Properties of Ti2AlC and Cr2AlC

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	Theoretical Study on the Mechanism of Anisotropic Thermal Properties of Ti2AlC and Cr2AlC
	J. M. Wang; J. Y. Wang; A. J. Li; J. J. Li; Y. C. Zhou
	2014
发表期刊	Journal of the American Ceramic Society
ISSN	0002-7820
卷号	97 期号:4 页码:1202-1208
摘要	Temperature dependences of thermal and elastic properties, such as the Gruneisen parameters, thermal expansion, bulk modulus, and heat capacity of Ti2AlC and Cr2AlC, are studied by combining first-principles method and lattice dynamic calculation based on the quasi-harmonic model. Experimental thermal expansion coefficient is also measured for comparison. Thermal expansion coefficients of Ti2AlC and Cr2AlC show different trends: Ti2AlC exhibits anisotropic thermal expansion while Cr2AlC shows generally isotropic character. The mechanism is explored by investigating the isotropy or anisotropy of Gruneisen parameters (phonon anharmonicity and thermal pressure) and elastic stiffness (response to thermal pressure) of Ti2AlC and Cr2AlC. In addition, the calculated bulk modulus of Cr2AlC is higher at ambient temperature but decreases faster than the value of Ti2AlC as temperature increasing.
部门归属	[wang, jiemin ; wang, jingyang ; li, aijun ; li, jingjing] chinese acad sci, high performance ceram div, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [zhou, yanchun] aerosp res inst mat & proc technol, sci & technol adv funct composite lab, beijing 100076, peoples r china. ; wang, jy (reprint author), chinese acad sci, high performance ceram div, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. ; jywang@imr.ac.cn
关键词	Temperature Oxidation Behavior Liquid Reaction Synthesis Electrical-properties Molecular-dynamics Bulk Cr2alc Phases Dependence Modulus M2alc Air
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/321006/72915
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. M. Wang,J. Y. Wang,A. J. Li,et al. Theoretical Study on the Mechanism of Anisotropic Thermal Properties of Ti2AlC and Cr2AlC[J]. Journal of the American Ceramic Society,2014,97(4):1202-1208.
APA	J. M. Wang,J. Y. Wang,A. J. Li,J. J. Li,&Y. C. Zhou.(2014).Theoretical Study on the Mechanism of Anisotropic Thermal Properties of Ti2AlC and Cr2AlC.Journal of the American Ceramic Society,97(4),1202-1208.
MLA	J. M. Wang,et al."Theoretical Study on the Mechanism of Anisotropic Thermal Properties of Ti2AlC and Cr2AlC".Journal of the American Ceramic Society 97.4(2014):1202-1208.