Monte Carlo simulation of the surface segregation of Pt-Pd and Pt-Ir alloys with an analytic embedded-atom method
文献类型：期刊论文
| 作者 | H. Q. Deng ; W. Y. Hu ; X. L. Shu ; L. H. Zhao ; B. W. Zhang |
| 刊名 | Surface Science
 |
| 出版日期 | 2002 |
| 卷号 | 517期号:1-3页码:177-185 |
| 关键词 | surface segregation semi-empirical models and model calculations Monte Carlo simulations alloys transition-metal alloys laser vaporization hcp metals method model bulk alloys bcc metals potentials energies fcc cu |
| ISSN号 | 0039-6028 |
| 中文摘要 | Using the analytic modified EAM potentials, the surface concentrations and concentration depth profiles of (111) and (10 0) faces of Pt-Pd and Pt-Ir binary alloys are studied with Monte Carlo simulation based on the grand canonical ensemble statistical rule. In Pt-Pd alloy, the topmost surface is enriched with Pd, and the subsurface layer is depleted of Pd. The simulation results show a damped oscillation of Pd concentration in the whole composition range. A strong Pd segregation is observed for both the orientation faces, while the amount of Pd segregation in the (I 11) face is significantly less than that in the more open (10 0) face. However, Pt segregates to the surface strongly in the Pt-Ir alloy, and the amount of Pt segregation in the (10 0) and (I 11) face is almost the same. The simulation results are in good agreement with the available experiment data and other theoretical values. (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/321006/36256]  |
| 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 | H. Q. Deng,W. Y. Hu,X. L. Shu,et al. Monte Carlo simulation of the surface segregation of Pt-Pd and Pt-Ir alloys with an analytic embedded-atom method[J]. Surface Science,2002,517(1-3):177-185. |
| APA | H. Q. Deng,W. Y. Hu,X. L. Shu,L. H. Zhao,&B. W. Zhang.(2002).Monte Carlo simulation of the surface segregation of Pt-Pd and Pt-Ir alloys with an analytic embedded-atom method.Surface Science,517(1-3),177-185. |
| MLA | H. Q. Deng,et al."Monte Carlo simulation of the surface segregation of Pt-Pd and Pt-Ir alloys with an analytic embedded-atom method".Surface Science 517.1-3(2002):177-185. |
入库方式： OAI收割
来源：金属研究所
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