Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys
文献类型：期刊论文
| 作者 | Wang, XX; Niu, LL; Wang, SQ; Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China. |
| 刊名 | JOURNAL OF NUCLEAR MATERIALS
 |
| 出版日期 | 2018-04-01 |
| 卷号 | 501页码:94-103 |
| 关键词 | Stacking-fault Energy Radiation-induced Segregation High-entropy Alloys Ab-initio Calculations Ni-based Alloys Molecular-dynamics Defect Evolution Fcc Metals Gamma-fe Irradiation |
| ISSN号 | 0022-3115 |
| 英文摘要 | Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics. (C) 2018 Elsevier B.V. All rights reserved.; Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics. (C) 2018 Elsevier B.V. All rights reserved. |
| 学科主题 | Materials Science, Multidisciplinary ; Nuclear Science & Technology |
| 语种 | 英语 |
| 资助机构 | National Natural Science Foundation of China [51471164]; National Key R&D Program of China [2016YFB0701302]; CAS Frontier Science Research Project [QYZDJ-SSW-JSC015]; NSFC-Guangdong Joint Fund [U1501501] |
| 公开日期 | 2018-06-05 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/79412]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Wang, XX,Niu, LL,Wang, SQ,et al. Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys[J]. JOURNAL OF NUCLEAR MATERIALS,2018,501:94-103. |
| APA | Wang, XX,Niu, LL,Wang, SQ,&Wang, XX .(2018).Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys.JOURNAL OF NUCLEAR MATERIALS,501,94-103. |
| MLA | Wang, XX,et al."Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys".JOURNAL OF NUCLEAR MATERIALS 501(2018):94-103. |
入库方式： OAI收割
来源：金属研究所
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。