SITE PREFERENCE OF ALLOYING ADDITIONS IN INTERMETALLIC COMPOUNDS

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	SITE PREFERENCE OF ALLOYING ADDITIONS IN INTERMETALLIC COMPOUNDS
	J. L. Yang; C. Y. Xiao; S. D. Xia; K. L. Wang
	1993
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	5 期号:36 页码:6653-6662
摘要	A general method is suggested in this paper to determine the site preference of alloying additions in intermetallic compounds with either stoichiometric or non-stoichiometric compositions, by first-principles binding-energy calculations using cluster models. The relationships of the site preference of alloying additions with the compositions of the host elements and with the concentrations of the additions themselves in the host are established. The validity and reliability of the method are tested by applying it to the site preference study of some ternary additions (Sc, Ti, V, Fe, Co, Cu, Nb, Mo and Pd) in gamma'-Ni3Al. The results obtained are in complete agreement with the experimental data, which proves that our method is successful.
部门归属	china ctr adv sci & technol,world lab,beijing 100080,peoples r china. acad sinica,int ctr mat phys,shenyang 110015,peoples r china. huazhong normal univ,dept phys,hubei 430070,peoples r china. univ sci & technol china,dept phys,hefei 230026,peoples r china.;yang, jl (reprint author), univ sci & technol china,ctr fundamental phys,hefei 230026,peoples r china
关键词	Functional Cluster-model Electronic-structure Intergranular Fracture Binding-energy Ni3al Al Fe Segregation Occupation Impurities
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/39163
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	J. L. Yang,C. Y. Xiao,S. D. Xia,et al. SITE PREFERENCE OF ALLOYING ADDITIONS IN INTERMETALLIC COMPOUNDS[J]. Journal of Physics-Condensed Matter,1993,5(36):6653-6662.
APA	J. L. Yang,C. Y. Xiao,S. D. Xia,&K. L. Wang.(1993).SITE PREFERENCE OF ALLOYING ADDITIONS IN INTERMETALLIC COMPOUNDS.Journal of Physics-Condensed Matter,5(36),6653-6662.
MLA	J. L. Yang,et al."SITE PREFERENCE OF ALLOYING ADDITIONS IN INTERMETALLIC COMPOUNDS".Journal of Physics-Condensed Matter 5.36(1993):6653-6662.