Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration
文献类型：期刊论文
| 作者 | Xu, Lei1; Wang, Li-Fang1; Chen, Xin1; Gao, Xing-Yu1; Shang, Hong-Hui2; Liu, Hai-Feng1; Song, Hai-Feng1 |
| 刊名 | COMPUTATIONAL AND THEORETICAL CHEMISTRY
 |
| 出版日期 | 2021-10-01 |
| 卷号 | 1204页码:10 |
| 关键词 | Vacancy defects Dynamical evolution Pu-Ga alloy Actinide metals Atomistic kinetic Monte Carlo Molecular dynamics |
| ISSN号 | 2210-271X |
| DOI | 10.1016/j.comptc.2021.113338 |
| 英文摘要 | Vacancy and its clusters are among the most important defects induced by self-irradiation in plutonium-gallium (Pu-Ga) alloys. For decades-long stockpiles, the generation and evolution of vacancy defects could cause void swelling and helium bubble formation, resulting in the ageing of the Pu-Ga alloys. Therefore, to shed light on the ageing mechanisms caused by vacancies in Pu-Ga alloys, the long-term behaviour of vacancy defects in Pu-Ga alloys is simulated employing an AKMC model parameterized by molecular statics calculations. By tracking the number of vacancy defects, the size distribution of vacancy clusters, and the largest vacancy clusters over time, we found that temperature and Ga concentration significantly influence the evolution of vacancy defects in Pu-Ga alloys. Temperature changes could affect the clustering behaviour of mono vacancies, and critical temperatures initializing the nucleation of vacancy clusters are observed. On the other hand, adding Ga contents in Pu-Ga alloys could increase the migration energy of and attractive interaction among vacancies, leading to increased vacancy cluster numbers at high temperatures. |
| 资助项目 | Science Challenge Project[TZ2018002] ; National Key Research and Development Program of China[2016YFB0201203] ; Foundations of LCP |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000701956500006 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.204/handle/2XEOYT63/17068]  |
| 专题 | 中国科学院计算技术研究所期刊论文_英文 |
| 通讯作者 | Song, Hai-Feng |
| 作者单位 | 1.Inst Appl Phys & Computat Math, Lab Computat Phys, Huayuan Rd 6, Beijing 100088, Peoples R China 2.Chinese Acad Sci, Inst Comp Technol, State Key Lab Comp Architecture, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, Lei,Wang, Li-Fang,Chen, Xin,et al. Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration[J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY,2021,1204:10. |
| APA | Xu, Lei.,Wang, Li-Fang.,Chen, Xin.,Gao, Xing-Yu.,Shang, Hong-Hui.,...&Song, Hai-Feng.(2021).Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration.COMPUTATIONAL AND THEORETICAL CHEMISTRY,1204,10. |
| MLA | Xu, Lei,et al."Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration".COMPUTATIONAL AND THEORETICAL CHEMISTRY 1204(2021):10. |
入库方式： OAI收割
来源：计算技术研究所
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。