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	Metastable phase formation and magnetic properties of the Fe-Nb system studied by atomistic modeling and ion beam mixing
	Tai, K. P. ; Dai, Y. ; Liu, B. X.
	2010-05-10 ; 2010-05-10
关键词	EMBEDDED-ATOM METHOD MOLECULAR-DYNAMICS AB-INITIO BCC METALS FCC-FE ALLOYS IRON ENERGY CU AGGREGATION Physics, Applied
中文摘要	With the aid of ab initio calculations, an n-body Fe-Nb embedded-atom potential is first constructed and then applied to study the crystal-to-amorphous phase transition through molecular dynamic simulations. The simulations determine that the glass-forming range of the Fe-Nb system is 18-83 at. % of Nb. In ion beam mixing experiments, five Fe-Nb multilayered films with overall compositions of Fe85Nb15, Fe75Nb25, Fe55Nb45, Fe25Nb75, and Fe15Nb85, respectively, are irradiated by 200 keV xenon ions to doses in the range of (1-7)x10(15)Xe(+)/cm(2). The result shows that the Fe-Nb metallic glasses can be synthesized within a composition range of 25-75 at. % of Nb, matching reasonably well the theoretical prediction. Moreover, in the Fe55Nb45 sample, a fcc-structured alloy phase with a large lattice constant of a approximate to 0.408 nm was obtained at a dose of 3x10(15) Xe+/cm(2) and the associated magnetic moment per Fe atom was measured to be 2.41 mu(B). The observed magnetic moment is much greater than the initial value of 1.42 mu(B) in the bcc-Fe lattice and can thus serve as evidence confirming the high-spin ferromagnetic state of fcc Fe predicted by ab initio calculations. Interestingly, further irradiation induced phase separation in the Fe55Nb45 sample, i.e., irradiation to a dose of 5x10(15) Xe+/cm(2) results in the growth of a fractal pattern consisting of Fe72Nb28 nanoclusters embedded in Fe35Nb65 matrix. The formation mechanism of the metastable phases as well as that of the fractal pattern observed in the Fe-Nb system was discussed in terms of the atomic collision theory and the well-known cluster-diffusion-limited-aggregation model. (c) 2008 American Institute of Physics.
语种	英语 ; 英语
出版者	AMER INST PHYSICS ; MELVILLE ; CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/21321]
专题	清华大学
推荐引用方式 GB/T 7714	Tai, K. P.,Dai, Y.,Liu, B. X.. Metastable phase formation and magnetic properties of the Fe-Nb system studied by atomistic modeling and ion beam mixing[J],2010, 2010.
APA	Tai, K. P.,Dai, Y.,&Liu, B. X..(2010).Metastable phase formation and magnetic properties of the Fe-Nb system studied by atomistic modeling and ion beam mixing..
MLA	Tai, K. P.,et al."Metastable phase formation and magnetic properties of the Fe-Nb system studied by atomistic modeling and ion beam mixing".(2010).

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