First-principles study on the segregation behavior of C/N/O interstitial impurities in TiVTaNb

Yuqing Zhao, Lijun Huang, Xun Guo*, Ke Jin

*此作品的通讯作者

科研成果: 书/报告/会议事项章节会议稿件同行评审

摘要

Refractory high entropy alloys with outstanding high temperature properties and irradiation tolerance have been proposed as potential structural materials for advanced nuclear systems. However, the stability and mechanical properties of the alloys will be significantly reduced by the interstitial impurities such as C, N and O, through the component segregation and precipitate formation. To understand this process, the formation and segregation energy of interstitials in TiVTaNb RHEA are studied by using first-principles calculations. We found that interstitial impurities prefer to segregate around Ti atoms, and C/N atoms tend to co-segregate with O atoms. Moreover, the precipitates with higher O content are more stable than the others. These results will be helpful to unveil the mechanism of the precipitate formation in RHEAs.

源语言英语
主期刊名Tenth International Conference on Mechanical Engineering, Materials, and Automation Technology, MMEAT 2024
编辑Yunhui Liu, Zili Li
出版商SPIE
ISBN(电子版)9781510682634
DOI
出版状态已出版 - 2024
活动10th International Conference on Mechanical Engineering, Materials, and Automation Technology, MMEAT 2024 - Wuhan, 中国
期限: 21 6月 202423 6月 2024

出版系列

姓名Proceedings of SPIE - The International Society for Optical Engineering
13261
ISSN(印刷版)0277-786X
ISSN(电子版)1996-756X

会议

会议10th International Conference on Mechanical Engineering, Materials, and Automation Technology, MMEAT 2024
国家/地区中国
Wuhan
时期21/06/2423/06/24

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