Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure

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	Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure
	J. S. Tian; G. M. Han; H. Wei; Q. Zheng; T. Jin; X. F. Sun; Z. Q. Hu
	2013
发表期刊	Philosophical Magazine
ISSN	1478-6435
卷号	93 期号:17 页码:2161-2171
摘要	The Ni L-3,L-2-edge spectra of the pure Ni, pure NiAl and alloying-element-doped NiAl compounds were obtained by synchrotron radiation X-ray absorption fine structure (XAFS). Due to orbital hybridization effect, directional covalent-type bonds formed and decreased the ductility during forming NiAl. Combining the XAFS spectra analysis and electronegativity comparison, the effects of alloying elements on the electronic structure and then the ductility of the NiAl compounds were obtained. The results showed that Cr, Co, Mo, Ru and W doping could be beneficial to the ductility by both weakening the directional bonds along the <111> direction and enhancing the d-d interactions of the transition metals-Ni atom pair, namely by the transition from covalent bonds to metallic bonds which was beneficial for dislocation to migrate. The results agreed well with the available experimental data and other theoretical results, proving that the model linking the electronic structure and ductility is reliable and can be used as guidance for alloy design.
部门归属	[tian, j. s. ; han, g. m. ; wei, h. ; zheng, q. ; jin, t. ; sun, x. f. ; hu, z. q.] chinese acad sci, inst met res, superalloys div, shenyang 110016, peoples r china. [tian, j. s.] chinese acad sci, grad sch, beijing 100039, peoples r china. ; wei, h (reprint author), chinese acad sci, inst met res, superalloys div, shenyang 110016, peoples r china. ; hwei@imr.ac.cn
关键词	Nial System Electronic Structure X-ray Absorption Fine Structure Ductility Transition-metal Aluminides Photoelectron-spectrum Compressive Properties Positron-annihilation Mechanical-properties Ternary Additions Site Preference Cu Alloys Behavior Ru
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71502
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. S. Tian,G. M. Han,H. Wei,et al. Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure[J]. Philosophical Magazine,2013,93(17):2161-2171.
APA	J. S. Tian.,G. M. Han.,H. Wei.,Q. Zheng.,T. Jin.,...&Z. Q. Hu.(2013).Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure.Philosophical Magazine,93(17),2161-2171.
MLA	J. S. Tian,et al."Effects of alloying elements on the electronic structure and ductility of NiAl compounds investigated by X-ray absorption fine structure".Philosophical Magazine 93.17(2013):2161-2171.