A First-Principles Study on Defects in Zirconium Monoxide

Zirconium monoxide (ZrO) plays a key role in the water-side corrosion resistance of Zr alloys as cladding materials in nuclear reactors. This study investigates the behavior of intrinsic defects in ZrO through first-principles calculations, and the influence of main alloying elements (Cr, Fe, Nb and...

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Bibliographic Details
Main Authors: Hanyu Shi, Zhixiao Liu, Dong Wang, Tianguo Wei, Yi Zhao
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Metals
Subjects:
Online Access:https://www.mdpi.com/2075-4701/15/4/449
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