Origin of enhanced glass-forming ability of Ce-containing Al-Fe alloy: Ab initio molecular dynamics study

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	Origin of enhanced glass-forming ability of Ce-containing Al-Fe alloy: Ab initio molecular dynamics study
	Han, Jiajia ; Wang, William Yi ; Wang, Cuiping ; Hui, Xidong ; Liu, Xingjun ; Liu, Zi-Kui ; Wang CP(王翠萍) ; Liu XJ(刘兴军)
刊名	http://dx.doi.org/10.1016/j.intermet.2013.10.012
	2014
关键词	BULK METALLIC GLASSES AMORPHOUS-ALLOYS SUPERCOOLED LIQUID ATOMIC-STRUCTURE THERMAL-STABILITY RANGE ORDER ALUMINUM SYSTEMS RE ZR
英文摘要	National Key Basic Research Program of China (973 Program) [2012CB825700]; Using ab initio molecular dynamics simulation, glass-forming abilities of Al90Fe10 and Al90Fe5Ce5 alloys have been investigated successfully correlated with the atomic structure and composition. The origin of enhanced glass-forming ability for Al90Fe5Ce5 alloy is interpreted by taking advantage of the calculated information. It is found that the enhanced glass-forming ability with the addition of Ce into Al90Fe10 alloy, in contrast to the transitional metallic glass, has nothing to do with the kinetic factor and stability of local atomic packing, but the atomic environment and medium-range order in the supercooled liquid state. A comparison of structure and composition between the supercooled liquid and potential crystalline phases demonstrates that the precipitation of the solid solution and compounds from the amorphous matrix for Al90Fe10 alloy becomes much more difficult with the addition of Ce. After glass transition, the resultant glassy state for Al90Fe5Ce5 alloy is further stabilized by stable local atomic packings. (C) 2013 Elsevier Ltd. All rights reserved.
语种	英语
出版者	ELSEVIER SCI LTD
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/87350]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Han, Jiajia,Wang, William Yi,Wang, Cuiping,et al. Origin of enhanced glass-forming ability of Ce-containing Al-Fe alloy: Ab initio molecular dynamics study[J]. http://dx.doi.org/10.1016/j.intermet.2013.10.012,2014.
APA	Han, Jiajia.,Wang, William Yi.,Wang, Cuiping.,Hui, Xidong.,Liu, Xingjun.,...&刘兴军.(2014).Origin of enhanced glass-forming ability of Ce-containing Al-Fe alloy: Ab initio molecular dynamics study.http://dx.doi.org/10.1016/j.intermet.2013.10.012.
MLA	Han, Jiajia,et al."Origin of enhanced glass-forming ability of Ce-containing Al-Fe alloy: Ab initio molecular dynamics study".http://dx.doi.org/10.1016/j.intermet.2013.10.012 (2014).