First-principles calculations of the elastic properties of ZrC and ZrN

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	First-principles calculations of the elastic properties of ZrC and ZrN
	D. Y. Cheng; S. Q. Wang; H. Q. Ye
	2004
发表期刊	Journal of Alloys and Compounds
ISSN	0925-8388
卷号	377 期号:1-2 页码:221-224
摘要	The elastic properties of ZrC and ZrN were calculated employing all-electron full-potential linearized augmented plane-wave (FLAPW) method. The errors between the calculated and experimental lattice constants are within 2%. The elastic properties of polycrystalline ZrC and ZrN were derived. The calculated results indicated the Young's modulus of ZrC is much higher than that of Zr-based single phase glassy alloys. By comparing the elastic properties of ZrC and ZrN, it is suggested that the mechanical properties of Zr-based glass alloys will be improved if ZrN as the disperse phase is introduced to the glassy alloys. (C) 2004 Elsevier B.V. All rights reserved.
部门归属	chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china.;cheng, dy (reprint author), chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china
关键词	Amorphous Materials Elasticity Zrc Zrn Supercooled Liquid Region Plane-wave Method Ni Amorphous-alloys Electronic-structure Cu Alloys Glass Particles Films
URL	查看原文
WOS记录号	WOS:000223801000042
引用统计	被引频次：71[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35332
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	D. Y. Cheng,S. Q. Wang,H. Q. Ye. First-principles calculations of the elastic properties of ZrC and ZrN[J]. Journal of Alloys and Compounds,2004,377(1-2):221-224.
APA	D. Y. Cheng,S. Q. Wang,&H. Q. Ye.(2004).First-principles calculations of the elastic properties of ZrC and ZrN.Journal of Alloys and Compounds,377(1-2),221-224.
MLA	D. Y. Cheng,et al."First-principles calculations of the elastic properties of ZrC and ZrN".Journal of Alloys and Compounds 377.1-2(2004):221-224.