| The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys |
| W. Li; S. Lu; Q. M. Hu; H. H. Mao; B. Johansson; L. Vitos
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| 2013
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| 发表期刊 | Computational Materials Science
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| ISSN | 0927-0256
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| 卷号 | 74页码:101-106 |
| 摘要 | Aluminum addition to ferritic stainless steels was found to effectively suppress the deleterious 475 degrees C embrittlement resulting from the phase decomposition in concentrated Fe-Cr alloys. With the aim of revealing the mechanism behind this prosperous phenomenon, here we investigate the effect of Al on the interfacial energy and formation energy of Fe-Cr solid solutions. The interface between the decomposed Fe-rich alpha and Cr-rich alpha' phases carries a positive excess energy, which is of significant importance on determining the process of phase separation. Using ab initio alloy theory, we show that for the alpha-Fe70Cr20Al10/alpha'-Fe100-x-yCryAlx (0 <= x <= 10, 55 <= y <= 80) interface, the Al content (x) barely changes the interfacial energy. However, for the alpha-Fe100-x-yCryAlx/alpha'-Fe10Cr90 (0 <= x <= 10, 0 <= y <= 25) interface, the interfacial energy increases with Al content due to the variation of the formation energies of the Fe-Cr alloys upon Al alloying. Our ab initio results are supported by CALPHAD calculations, and suggest that the beneficial effect of Al on ferritic steels is mainly due to its thermodynamical effect on the alpha' phase. (c) 2013 Elsevier B.V. All rights reserved. |
| 部门归属 | [li, wei
; lu, song
; mao, huahai
; johansson, borje
; vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. [hu, qing-miao] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [johansson, borje
; vitos, levente] uppsala univ, dept phys & astron, div mat theory, se-751210 uppsala, sweden. [vitos, levente] res inst solid state phys & opt, wigner res ctr phys, h-1525 budapest, hungary.
; li, w (reprint author), royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden.
; wei2@kth.se
; songlu@mse.kth.se
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| 关键词 | Ab Initio
475 Degrees c Embrittlement
Stainless Steel
Interfacial
Energy
Phase Separation
Phase-separation Kinetics
Stainless-steels
System
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| URL | 查看原文
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| 语种 | 英语
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/71328
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| 专题 | 中国科学院金属研究所
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推荐引用方式
GB/T 7714 |
W. Li,S. Lu,Q. M. Hu,et al. The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys[J]. Computational Materials Science,2013,74:101-106.
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| APA |
W. Li,S. Lu,Q. M. Hu,H. H. Mao,B. Johansson,&L. Vitos.(2013).The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys.Computational Materials Science,74,101-106.
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| MLA |
W. Li,et al."The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys".Computational Materials Science 74(2013):101-106.
|
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