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

Yuqing Zhao; Lijun Huang; Xun Guo; Ke Jin

doi:10.1117/12.3046916

27 September 2024 First-principles study on the segregation behavior of C/N/O interstitial impurities in TiVTaNb

Yuqing Zhao, Lijun Huang, Xun Guo, Ke Jin

Author Affiliations +

Proceedings Volume 13261, Tenth International Conference on Mechanical Engineering, Materials, and Automation Technology (MMEAT 2024); 132612I (2024) https://doi.org/10.1117/12.3046916
Event: 10th International Conference on Mechanical Engineering, Materials, and Automation Technology (MMEAT 2024), 2024, Wuhan, China

Abstract

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.

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Yuqing Zhao, Lijun Huang, Xun Guo, and Ke Jin "First-principles study on the segregation behavior of C/N/O interstitial impurities in TiVTaNb", Proc. SPIE 13261, Tenth International Conference on Mechanical Engineering, Materials, and Automation Technology (MMEAT 2024), 132612I (27 September 2024); https://doi.org/10.1117/12.3046916

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

;

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE