Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary
文献类型：期刊论文
| 作者 | L. P. Zheng ; D. X. Li ; Z. Y. Zhu ; W. Z. Jiang ; B. Y. Jiang ; X. H. Liu |
| 刊名 | Materials Letters
 |
| 出版日期 | 2002 |
| 卷号 | 56期号:1-2页码:65-70 |
| 关键词 | grain boundary concentrations inducing and segregating species bulk effects metals alloys ni |
| ISSN号 | 0167-577X |
| 中文摘要 | 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. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/36572]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | L. P. Zheng,D. X. Li,Z. Y. Zhu,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(1-2):65-70. |
| APA | L. P. Zheng,D. X. Li,Z. Y. Zhu,W. Z. Jiang,B. Y. Jiang,&X. H. Liu.(2002).Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary.Materials Letters,56(1-2),65-70. |
| MLA | L. P. Zheng,et al."Monte Carlo simulation study of the bulk effects of boron on the Ni3Al-x at.% B grain boundary".Materials Letters 56.1-2(2002):65-70. |
入库方式： OAI收割
来源：金属研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。