Trapping Capability of Small Vacancy Clusters in the <i>α</i>-Zr Doped with Alloying Elements: A First-Principles Study

Trapping Capability of Small Vacancy Clusters in the <i>α</i>-Zr Doped with Alloying Elements: A First-Principles Study

Zirconium alloys are subjected to a fast neutron flux in nuclear reactors, inducing the creation of a large number of point defects, both vacancy and self-interstitial. These point defects then diffuse and can be trapped by their different sinks or can cluster to form larger defects, such as vacancy...

Full description

Bibliographic Details
Main Authors: Rongjian Pan, Aitao Tang, Jiantao Qin, Tianyuan Xin, Xiaoyong Wu, Bang Wen, Lu Wu
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Crystals
Subjects:
zirconium alloys
first-principle calculations
DFT
defect clusters
electronic properties
Online Access:https://www.mdpi.com/2073-4352/12/7/997

Internet

https://www.mdpi.com/2073-4352/12/7/997

Similar Items