| Dependence of Ni, Al and B boundary concentrations on the B bulk concentration for the Ni3Al-x at.% B grain boundary | |
| L. P. Zheng; D. X. Li; S. Qiu; W. J. Zhou; B. Y. Jiang | |
| 2001 | |
| Source Publication | Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms
 |
| ISSN | 0168-583X |
| Volume | 184Issue:3Pages:354-360 |
| Abstract | We have applied the embedded atom method (EAM). 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)/36.87 degrees. grain boundary at the equilibrium. We propose that the bulk effects of B on the grain boundary include the positive effect on the Ni enrichment at the grain boundary, i.e. the B atoms induce Ni atoms to substitute into Al sites, the negative effect on it, i.e. the B atoms substitute into Ni sites, and the neutral effect on it, i.e. the B atoms insert into interstices in the grain boundary. Our calculations show that owing to combination of the positive effect and the negative 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, even if Ni is approximately saturated. (C) 2001 Elsevier Science B.V. All rights reserved. |
| description.department | chinese acad sci, shanghai inst nucl res, shanghai 201800, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. chinese acad sci, shanghai inst met, ion beam lab, shanghai 200050, peoples r china. chinese acad sci, atom imaging solids lab, met res inst, shenyang 110015, peoples r china.;zheng, lp (reprint author), chinese acad sci, shanghai inst nucl res, pob 800-204, shanghai 201800, peoples r china |
| Keyword | Computer-simulation Boron Segregation Fracture Metals Alloys |
| URL | 查看原文 |
| WOS ID | WOS:000171929600007 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/36936 |
| Collection | 中国科学院金属研究所 |
| Recommended Citation GB/T 7714 | L. P. Zheng,D. X. Li,S. Qiu,et al. Dependence of Ni, Al and B boundary concentrations on the B bulk concentration for the Ni3Al-x at.% B grain boundary[J]. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms,2001,184(3):354-360. |
| APA | L. P. Zheng,D. X. Li,S. Qiu,W. J. Zhou,&B. Y. Jiang.(2001).Dependence of Ni, Al and B boundary concentrations on the B bulk concentration for the Ni3Al-x at.% B grain boundary.Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms,184(3),354-360. |
| MLA | L. P. Zheng,et al."Dependence of Ni, Al and B boundary concentrations on the B bulk concentration for the Ni3Al-x at.% B grain boundary".Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms 184.3(2001):354-360. |
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