Interactions of solute (3p, 4p, 5p and 6p) with solute, vacancy and divacancy in bcc Fe
文献类型：期刊论文
| 作者 | Liu, C. S.2; Liu, Wei2; Wu, Xue-Bang2; You, Yu-Wei2; Kong, Xiang-Shan2; Luo, G. -N.3; Chen, J. L.3; Fang, Q. F.2; Wang, Zhiguang1
|
| 刊名 | JOURNAL OF NUCLEAR MATERIALS
 |
| 出版日期 | 2014-12-01 |
| 卷号 | 455页码:68-72 |
| ISSN号 | 0022-3115 |
| DOI | 10.1016/j.jnucmat.2014.04.014 |
| 文献子类 | Article |
| 英文摘要 | Solute-vacancy binding energy is a key quantity in understanding solute diffusion kinetics and phase segregation, and may help choice of alloy compositions for future material design. However, the binding energy of solute with vacancy is notoriously difficult to measure and largely unknown in bcc Fe. With first-principles method, we systemically calculate the binding energies of solute (3p, 4p, 5p and 6p alloying solutes are included) with vacancy, divacancy and solute in bcc Fe. The binding energy of Si with vacancy in the present work is in good consistent with experimental value available. All the solutes considered are able to form stable solute-vacancy, solute-divacancy complexes, and the binding strength of solute-divacancy is about two times larger than that of solute-vacancy. Most solutes could not form stable solute-solute complexes except S, Se, In and Tl. The factors controlling the binding energies are analyzed at last. (C) 2014 Elsevier B.V. All rights reserved. |
| WOS关键词 | 1ST PRINCIPLES ; ALPHA-IRON ; IMPURITY DIFFUSIVITIES ; SEGREGATION ; ALLOYS ; IRRADIATION ; BINDING ; ENERGY ; SULFUR ; STEELS |
| 资助项目 | Strategic Priority Research Program of Chinese Academy of Sciences[KJCX2-YW-N35] ; Strategic Priority Research Program of Chinese Academy of Sciences[XDA03010303] |
| WOS研究方向 | Materials Science ; Nuclear Science & Technology |
| 语种 | 英语 |
| WOS记录号 | WOS:000348003600015 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.186/handle/113462/49419]  |
| 专题 | 近代物理研究所_先进核能材料研究室（ADS） |
| 通讯作者 | Liu, C. S. |
| 作者单位 | 1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China 3.Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, C. S.,Liu, Wei,Wu, Xue-Bang,et al. Interactions of solute (3p, 4p, 5p and 6p) with solute, vacancy and divacancy in bcc Fe[J]. JOURNAL OF NUCLEAR MATERIALS,2014,455:68-72. |
| APA | Liu, C. S..,Liu, Wei.,Wu, Xue-Bang.,You, Yu-Wei.,Kong, Xiang-Shan.,...&Wang, Zhiguang.(2014).Interactions of solute (3p, 4p, 5p and 6p) with solute, vacancy and divacancy in bcc Fe.JOURNAL OF NUCLEAR MATERIALS,455,68-72. |
| MLA | Liu, C. S.,et al."Interactions of solute (3p, 4p, 5p and 6p) with solute, vacancy and divacancy in bcc Fe".JOURNAL OF NUCLEAR MATERIALS 455(2014):68-72. |
入库方式： OAI收割
来源：近代物理研究所
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。