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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
Source PublicationJournal of the American Ceramic Society
ISSN0002-7820
Volume97Issue:4Pages:1202-1208
AbstractTemperature 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.
description.department[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
KeywordTemperature Oxidation Behavior Liquid Reaction Synthesis Electrical-properties Molecular-dynamics Bulk Cr2alc Phases Dependence Modulus M2alc Air
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/72915
Collection中国科学院金属研究所
Recommended Citation
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.
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