First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)

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	First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)
	M. Chen ; C. Y. Wang
刊名	Journal of Applied Physics
	2010
卷号	107 期号:9
关键词	augmented-wave method co-base superalloy electronic-structure site preference ni3al phase temperature stability magnetism alloys
ISSN号	0021-8979
中文摘要	The alloying effect of 3d transition metal elements on the lattice constants and their site preferences in gamma'-Co(3)(Al, W) are systematically studied based on a supercell model. The lattice constant of the gamma' phase is modified by the addition of 3d transition metal elements, and it increases in the order of Fe < Ni < Mn < Cr < V < Ti. Four types of site preference are identified for these 3d elements in gamma' phase by analyzing the binding energy and the impurity formation energy. Ni, Fe, V, and Ti are recognized to stabilize the gamma' phase. Their distinct alloying effect is further revealed by investigating the impurity-induced charge density difference and the partial density of states. These results are in agreement with the experimental data ever reported. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3319650]
原文出处	://WOS:000277834300470
公开日期	2012-04-13
内容类型	期刊论文
源URL	[http://210.72.142.130/handle/321006/31028]
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	M. Chen,C. Y. Wang. First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)[J]. Journal of Applied Physics,2010,107(9).
APA	M. Chen,&C. Y. Wang.(2010).First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W).Journal of Applied Physics,107(9).
MLA	M. Chen,et al."First-principle investigation of 3d transition metal elements in gamma '-Co(3)(Al, W)".Journal of Applied Physics 107.9(2010).