揭示氮化钛氧化过程中的原子结构演变

IF 7.4 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Corrosion Science Pub Date : 2024-09-18 DOI:10.1016/j.corsci.2024.112465

Ronghui Hao , Wenkang Miao , Wanyin Xu , Yicheng Lin , Qiling Xiao , Zihan Wang , Qianqian Li , Peng Wang , Tianzhong Wang , Anmin Nie , Jinsong Wu , Hongtao Wang

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引用次数: 0

摘要

本研究利用最先进的像差校正环境透射电子显微镜来研究氮化钛在动态氧化过程中的原子尺度结构演变。氮化钛的氧化源于钛原子沿{200}的迁移，这导致了两种不同的反应途径，其特点是形成钛空位链和交错钛空位。我们证明，钛原子在不同的晶面上表现出不同的氧化活性，氧化途径的选择受到晶面曲率的显著影响，这也得到了第一原理计算的支持。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Unraveling the atomic structure evolution of titanium nitride upon oxidation

In this study, state-of-the-art aberration-corrected environmental transmission electron microscopy is utilized to investigate the atomic-scale structural evolution of titanium nitride during dynamic oxidation. Titanium nitride oxidation originates from the migration of Ti atoms along {200} that results in two distinct reaction pathways, characterized by the formation of chains of titanium vacancies and staggered titanium vacancies. We demonstrate that titanium atoms exhibit varied oxidation activity on different crystal facets, with the selection of oxidation pathways significantly influenced by the curvature of the crystal surface, which is also supported by the First Principles Calculations.

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来源期刊

Corrosion Science 工程技术-材料科学：综合

CiteScore

13.60

自引率

18.10%

发文量

763

审稿时长

46 days

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.