Yalin Li , Yong Wang , Nan Lin , Shijun Zhao , Zhenggang Wu
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引用次数: 0
Abstract
In this work, we aim to mechanistically understand the effects of nitrogen incorporation on the intricate oxidation mechanisms of (HfNbTaZr)(CN) high-entropy carbonitride (HECN). Theoretical calculations reveal that introducing nitrogen enhances the inherent oxygen affinity of Nb and Ta within (HfNbTaZr)(CN). Furthermore, (HfNbTaZr)(CN) demonstrates accelerated oxidation dynamics compared to (HfNbTaZr)C, as evidenced by ab initio molecular dynamics (AIMD) simulations. Building upon the elucidated oxidation mechanism, we propose an experimentally validated nitrogen regulation strategy to bolster the oxidation tolerance, which involves reducing or eliminating nitrogen in HECNs containing Nb and Ta whereas increasing nitrogen for NbTa-free multicomponent transition metal carbides (MTMCs).
期刊介绍：
Corrosion occurrence and its practical control encompass a vast array of scientific knowledge. Corrosion Science endeavors to serve as the conduit for the exchange of ideas, developments, and research across all facets of this field, encompassing both metallic and non-metallic corrosion. The scope of this international journal is broad and inclusive. Published papers span from highly theoretical inquiries to essentially practical applications, covering diverse areas such as high-temperature oxidation, passivity, anodic oxidation, biochemical corrosion, stress corrosion cracking, and corrosion control mechanisms and methodologies.
This journal publishes original papers and critical reviews across the spectrum of pure and applied corrosion, material degradation, and surface science and engineering. It serves as a crucial link connecting metallurgists, materials scientists, and researchers investigating corrosion and degradation phenomena. Join us in advancing knowledge and understanding in the vital field of corrosion science.
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