Analytic embedded-atom method approach to studying the surface segregation of Al-Mg alloys | |
H. Q. Deng; W. Y. Hu; X. L. Shu; B. W. Zhang | |
2004 | |
发表期刊 | Applied Surface Science
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ISSN | 0169-4332 |
卷号 | 221期号:1-4页码:408-414 |
摘要 | In the present paper, the modified analytic embedded-atom method (MAEAM) many-body potentials are provided for fcc and hcp elements. The segregation energies of Mg in Al host are calculated with the MAEAM potentials. The composition depth profiles of Al-Mg alloys are obtained with Monte Carlo simulation method based on grand canonical ensemble. It is found that Mg segregates strongly to the surface layers at 600 K and the composition near the surface is monotonic to the bulk one. The simulation results are reasonable agreement with other experimental and theoretical data. (C) 2003 Elsevier B.V. All rights reserved. |
部门归属 | hunan univ, dept appl phys, changsha 410082, peoples r china. cent iron & steel res inst, beijing 100081, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;deng, hq (reprint author), hunan univ, dept appl phys, changsha 410082, peoples r china |
关键词 | Surface Segregation Embedded-atom Method Monte Carlo Simulation Al-mg Alloy Monte-carlo Simulation Transition-metals Phase-stability Magnesium Diffusion Hcp Metals Oxidation Model Fcc Temperature Potentials |
URL | 查看原文 |
WOS记录号 | WOS:000187721700052 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.imr.ac.cn/handle/321006/35339 |
专题 | 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. Analytic embedded-atom method approach to studying the surface segregation of Al-Mg alloys[J]. Applied Surface Science,2004,221(1-4):408-414. |
APA | H. Q. Deng,W. Y. Hu,X. L. Shu,&B. W. Zhang.(2004).Analytic embedded-atom method approach to studying the surface segregation of Al-Mg alloys.Applied Surface Science,221(1-4),408-414. |
MLA | H. Q. Deng,et al."Analytic embedded-atom method approach to studying the surface segregation of Al-Mg alloys".Applied Surface Science 221.1-4(2004):408-414. |
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