| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5467679 | Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms | 2017 | 5 Pages |
Abstract
The effect of Ti/Cr additive on He diffusion and segregation properties in dilute vanadium alloys is investigated using first-principles calculations. First we determined the He preference site and investigated the He-Cr/He-Ti interactions. Energetically, He prefers to segregate to Ti regions rather than Cr regions. The most stable site for interstitial He is a tetrahedral site near Ti. He-Ti interactions have a weak attraction while He-Cr interactions have a weak repulsion. Kinetically, He diffusion to Ti has a lower energy barrier; contrarily the He barrier increases towards Cr. Furthermore, we discuss the stability of Hen-Cr/Ti complexes and Hen-vacancy-Cr and Ti complexes with n = 1-8. It is found that the HenTi complexes are more stable than the HenCr complexes while the Hen-vacancy-Ti complexes are less favorable than Hen-vacancy-Cr. The findings give a reference for understanding the mechanism of He embrittlement under irradiation.
Related Topics
Physical Sciences and Engineering
Materials Science
Surfaces, Coatings and Films
Authors
Tingting Zou, Pengbo Zhang, Jijun Zhao, Pengfei Zheng, Jiming Chen,