Defective structures in FeCrAl alloys from first principles calculations
文献类型：期刊论文
| 作者 | Shi, Diwei; Song, Jiexi; Liu, Zhen; Li, Hanchao; Bu, Moran; Li, Yifan; Zhang, Biao; Chen, Xinyu; Yan, Tao; Qin, Yanqing |
| 刊名 | JAPANESE JOURNAL OF APPLIED PHYSICS
 |
| 出版日期 | 2020 |
| 卷号 | 59期号:4 |
| 关键词 | DEGREES-C EMBRITTLEMENT FE-CR DISPLACEMENT CASCADES HIGH-TEMPERATURE SIMULATIONS OXIDATION SELECTION STEELS STEAM AL |
| 英文摘要 | The FeCrAl alloy system is well known as a potential candidate material for the accident tolerant fuel (ATF) cladding in the nuclear power industry owing to its high oxidation resistance under irradiation and high-temperature environment. The mechanical properties of FeCrAl alloys with various defects degrade under irradiation condition. In the present work, the structures of FeCrAl alloys with 10 similar to 15Cr wt% and 5 similar to 6Al wt% were simulated from the first principles calculations. Mechanical properties were predicted for FeCrAl alloys with different defects and components. Calculated results showed that doping Cr into alloys may improve its mechanical properties. On the other hand, Al was predicted to downgrade the mechanical properties by replacing the Fe atom. The mechanical anisotropies of FeCrAl were researched through Zener's index and 3D Young's modulus sketches. Additionally, the investigation on electronic characteristics indicated that an attenuated Fe-Fe interaction and strengthened Fe-Al interactions occur with the addition of Al. |
| 学科主题 | Physics |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/19827]  |
| 专题 | 2020专题 2020专题_期刊论文 |
| 作者单位 | 1.Du, SY (corresponding author), Harbin Engn Univ, Coll Mat Sci & Chem Engn, Harbin 150001, Heilongjiang, Peoples R China. 2.Guo, YL 3.Du, SY (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo 315201, Zhejiang, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Shi, Diwei,Song, Jiexi,Liu, Zhen,et al. Defective structures in FeCrAl alloys from first principles calculations[J]. JAPANESE JOURNAL OF APPLIED PHYSICS,2020,59(4). |
| APA | Shi, Diwei.,Song, Jiexi.,Liu, Zhen.,Li, Hanchao.,Bu, Moran.,...&Du, Shiyu.(2020).Defective structures in FeCrAl alloys from first principles calculations.JAPANESE JOURNAL OF APPLIED PHYSICS,59(4). |
| MLA | Shi, Diwei,et al."Defective structures in FeCrAl alloys from first principles calculations".JAPANESE JOURNAL OF APPLIED PHYSICS 59.4(2020). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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。