Bonding characteristics of micro-alloyed B2NiAl in relation to site occupancies and phase stability

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	Bonding characteristics of micro-alloyed B2NiAl in relation to site occupancies and phase stability
	Y. L. Hao; R. Yang; Q. M. Hu; D. Li; Y. Song; M. Niinomi
	2003
发表期刊	Acta Materialia
ISSN	1359-6454
卷号	51 期号:18 页码:5545-5554
摘要	A recently developed mean-field model has been combined with first principles calculations of binding energy to investigate the site occupancies of micro-alloying elements and vacancies in NiAl as well as the stability of the micro-alloyed B2 phase with respect to disordering and second-phase formation. The theoretical results suggest that the transition metal elements in the same row of the periodic table increasingly tend to the Ni sublattice with increasing atomic number. Micro-alloying addition tends to decrease the vacancy concentration of NiAl alloys. Alloying with X that substitutes for Ni is predicted to have the sides of its solubility lobe parallel to the Ni-X side of the isotherm, but parallel to the Al-X side if X substitutes for Al. Micro-alloying was shown to raise the ordering temperature of the B2 phase over the corresponding binary alloy, in contrast with the effect of vacancies. Alloying effects on ordering temperature and the formation of point defects appear independent of the site substitution behaviour, and are less significant for 3d than for 4d and 5d transition metal elements. (C) 2003 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
部门归属	chinese acad sci, inst met res, shenyang 110016, peoples r china. univ london queen mary coll, dept mat, london e1 4ns, england. toyohashi univ technol, dept prod syst engn, toyohashi, aichi 441, japan.;yang, r (reprint author), chinese acad sci, inst met res, 72 wenhua rd, shenyang 110016, peoples r china;ryang@imr.ac.cn
关键词	Intermetallic Phases (Nickel Aluminides) Lattice Defects (Vacancies) Phase Transformations (Ordering) Ab Initio Electron Theory B2 Intermetallic Compounds Ternary Additions First-principles Defect Structure Nial Alloys Fe Preference Elements Ti Substitution
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WOS记录号	WOS:000186121100024
引用统计	被引频次：19[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/321006/35845
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. L. Hao,R. Yang,Q. M. Hu,et al. Bonding characteristics of micro-alloyed B2NiAl in relation to site occupancies and phase stability[J]. Acta Materialia,2003,51(18):5545-5554.
APA	Y. L. Hao,R. Yang,Q. M. Hu,D. Li,Y. Song,&M. Niinomi.(2003).Bonding characteristics of micro-alloyed B2NiAl in relation to site occupancies and phase stability.Acta Materialia,51(18),5545-5554.
MLA	Y. L. Hao,et al."Bonding characteristics of micro-alloyed B2NiAl in relation to site occupancies and phase stability".Acta Materialia 51.18(2003):5545-5554.