Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study
文献类型：期刊论文
| 作者 | Li Dong-Dong1,2; Song Chi4; Xu Yi-Chun4; Pan Bi-Cai1,2; Liu Chang-Song4; Wang Zhi-Guang3
|
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2014-05-01 |
| 卷号 | 23 |
| 关键词 | Corrosion Property Interface Interaction Alloying Atom First-principles Method |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/23/5/056801 |
| 文献子类 | Article |
| 英文摘要 | The corrosion of steels in liquid metal lead (Pb) and bismuth (Bi) is a critical challenge in the development of accelerator driven systems (ADS). Using a first-principles method with a slab model, we theoretically investigate the interaction between the Pb (Bi) atom and the iron (Fe) (100) surface to assess the fundamental corrosion properties. Our investigation demonstrates that both Pb and Bi atoms favorably adsorb on the (100) surface. Such an adsorption decreases the energy required for the dissociation of an Fe atom from the surface, enhancing the dissolution tendency significantly. The segregation of six common alloying elements (Cr, Al, Mn, Ni, Nb, and Si) to the surface and their impacts on the corrosion properties are also considered. The present results reveal that Si seems to have a relatively good performance to stabilize the surface and alleviate the dissolving trend caused by Pb and Bi. |
| WOS关键词 | AUGMENTED-WAVE METHOD ; 3D ALLOYING ELEMENTS ; AB-INITIO ; PB-BI ; FERRITIC/MARTENSITIC STEELS ; OXIDATION MECHANISM ; STRUCTURAL-STEELS ; FLOWING LEAD ; BASE ALLOYS ; REACTORS |
| 资助项目 | National Magnetic Confinement Fusion Program, China[2011GB108004] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000336081900068 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://119.78.100.186/handle/113462/49321]  |
| 专题 | 近代物理研究所_先进核能材料研究室（ADS） |
| 通讯作者 | Liu Chang-Song |
| 作者单位 | 1.Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China 2.Univ Sci & Technol China, Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China 3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li Dong-Dong,Song Chi,Xu Yi-Chun,et al. Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study[J]. CHINESE PHYSICS B,2014,23. |
| APA | Li Dong-Dong,Song Chi,Xu Yi-Chun,Pan Bi-Cai,Liu Chang-Song,&Wang Zhi-Guang.(2014).Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study.CHINESE PHYSICS B,23. |
| MLA | Li Dong-Dong,et al."Corrosion related properties of iron (100) surface in liquid lead and bismuth environments: A first-principles study".CHINESE PHYSICS B 23(2014). |
入库方式： OAI收割
来源：近代物理研究所
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