First-principles investigation of the alloying effect of Ta and W on gamma-TiAl

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	First-principles investigation of the alloying effect of Ta and W on gamma-TiAl
	H. L. Dang; C. Y. Wang; T. Yu
	2006
发表期刊	Chinese Science Bulletin
ISSN	1001-6538
卷号	51 期号:22 页码:2690-2695
摘要	The alloying effect of the refractory elements Ta and W on the electronic structure of gamma-TiAl is investigated by using the first-principles discrete variational method within the framework of density functional theory. The impurity formation energy result indicates that Ta and W can stay steadily in the TiAl system by way of substitution. The Mulliken population, density of states and charge density difference results show that Ta and W both give rise to the strong interaction between themselves and the neighboring host atoms. The alloying effect of the two elements on gamma-TiAl is the same.
部门归属	cent iron & steel res inst, beijing 100081, peoples r china. tsing hua univ, dept phys, beijing 100084, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;dang, hl (reprint author), cent iron & steel res inst, beijing 100081, peoples r china;hongli_dang@163.com
关键词	First-principles Electronic Structure Tial Electronic-structure Titanium Aluminides Microstructure Derivatives Efficient Molecules Exchange Ni3al
URL	查看原文
WOS记录号	WOS:000242609200002
引用统计	被引频次：2[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/321006/34167
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. L. Dang,C. Y. Wang,T. Yu. First-principles investigation of the alloying effect of Ta and W on gamma-TiAl[J]. Chinese Science Bulletin,2006,51(22):2690-2695.
APA	H. L. Dang,C. Y. Wang,&T. Yu.(2006).First-principles investigation of the alloying effect of Ta and W on gamma-TiAl.Chinese Science Bulletin,51(22),2690-2695.
MLA	H. L. Dang,et al."First-principles investigation of the alloying effect of Ta and W on gamma-TiAl".Chinese Science Bulletin 51.22(2006):2690-2695.