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| Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary | |
| Zheng, LP（郑里平）; Li, DX; Zhu, ZY（朱志远）; Jiang, WZ（蒋维洲）; Jiang, BY; Liu, XH | |
| 2002 | |
| Source Publication | MATERIALS LETTERS
 |
| ISSN | 0167-577X |
| Volume | 56Issue:40910Pages:65 |
| Abstract | The embedded atom method (EAM) has been used to calculate boundary concentration distributions of Ni, Al, and B, and B probabilities in the "interstitial" and the "substitutional" sites, at the Ni3Al-x at.% B (100% Ni/100% Ni) [001]/Sigma5(210)/36.87degrees grain boundary at the equilibrium. It has been proposed by us that the bulk effects of B on the grain boundary include the main effect, that is, the B atoms induce Ni atoms to substitute into Al sites, and the sub-effect, that is, the B atoms substitute into Ni sites. In this work, it is found that at as x increases from 0.1 to 1.0, the B probability in the "interstitial" sites decreases from 97.3% to 38.8%, while that in the "substitutional" sites increases from 2.7% to 61.2%. It is also found that owing to combination of the main effect and the sub-effect, corresponding to B enrichment increasing, the Ni enrichment and the Al depletion become more and more obvious when x increases from 0.1 to 0.5. Then, corresponding to B enrichment decreasing, the Ni enrichment and the Al depletion also become more and more obvious when x decreases from 0.9 to 0.5. Thus, between low (x = 0.1) and high (x = 0.9) B bulk concentrations, there is a B bulk concentration (x = 0.5), at which the Ni enrichment and the Al depletion become the most obvious, and Ni is approximately saturated. (C) 2002 Elsevier Science B.V All rights reserved. |
| Indexed By | SCI |
| Funding Project | 应物所项目组 |
| WOS ID | WOS:000178527600013 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/10071 |
| Collection | 中科院上海原子核所2003年前 |
| Recommended Citation GB/T 7714 | Zheng, LP,Li, DX,Zhu, ZY,et al. Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary[J]. MATERIALS LETTERS,2002,56(40910):65. |
| APA | Zheng, LP,Li, DX,Zhu, ZY,Jiang, WZ,Jiang, BY,&Liu, XH.(2002).Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary.MATERIALS LETTERS,56(40910),65. |
| MLA | Zheng, LP,et al."Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary".MATERIALS LETTERS 56.40910(2002):65. |
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