First principles study of influence of alloying elements on TiAl: Lattice distortion

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	First principles study of influence of alloying elements on TiAl: Lattice distortion
	Y. Song ; R. Yang ; D. Li ; W. T. Wu ; Z. X. Guo
刊名	Journal of Materials Research
	1999
卷号	14 期号:7 页码:2824-2829
关键词	site preference mechanical-properties ternary additions mn substitutions room-temperature ductility phase nb cr aluminides
ISSN号	0884-2914
中文摘要	The influence of ternary additions Cr, Fe, Mn, Ni, Zr, Nb, Mo, Hf Ta, Si, Ga, Ge, In, and Sb, as well as the anti-site defects of both Ti and Al, on lattice parameters of TiAl were studied by the first principles electronic structure calculations with a discrete variational cluster method. The results of the calculation show that the effect of ternary additions on the distortion of TiAl lattice varies with the substitution behavior of the individual alloying element involved The. addition nf alloying elements in TiAl caused. a change in the electronic structure and the density of states of the system and results a change in the electronic structure and the density of states of the system and results in variation of the bond strength between the atoms. The total and partial density of states (DOS) of binary TiAl and of ternary TiAl-M, M = Cr, Zr, and Sb, etc., were comparatively examined. The relationship between the DOS and the bond strength is discussed. The present work suggests that the origin of the lattice distortion of the ternary TiAl-M systems lies in the variation of the electronic structure.
原文出处	://WOS:000082550700018
公开日期	2012-04-14
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/37487]
专题	金属研究所_中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. Song,R. Yang,D. Li,et al. First principles study of influence of alloying elements on TiAl: Lattice distortion[J]. Journal of Materials Research,1999,14(7):2824-2829.
APA	Y. Song,R. Yang,D. Li,W. T. Wu,&Z. X. Guo.(1999).First principles study of influence of alloying elements on TiAl: Lattice distortion.Journal of Materials Research,14(7),2824-2829.
MLA	Y. Song,et al."First principles study of influence of alloying elements on TiAl: Lattice distortion".Journal of Materials Research 14.7(1999):2824-2829.