Atomic-level insights into the initial oxidation mechanism of high-entropy diborides by first-principles calculations

Atomic-level insights into the initial oxidation mechanism of high-entropy diborides by first-principles calculations

Understanding the initial oxidation mechanism is critical for studying the oxidation resistance of high-entropy diborides. However, related studies are scarce. Herein, the initial oxidation mechanism of (Zr0.25Ti0.25Nb0.25Ta0.25)B2 high-entropy diborides (HEB2-1) is investigated by first-principles...

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Bibliographic Details
Main Authors: Yiwen Liu, Hulei Yu, Hong Meng, Yanhui Chu
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Journal of Materiomics
Subjects:
High-entropy diborides
Oxidation
First-principles calculations
Online Access:http://www.sciencedirect.com/science/article/pii/S2352847823001375

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