Electronic-scale assessment of high-temperature oxidation mechanisms in a novel Fe-based alloy
作者机构：The State Key Laboratory of Refractories and Metallurgy.Wuhan University of Science and Technology.Wuhan 430081HubeiChina Hubei Province Key Laboratory of Systems Science in Meallurgial ProcessWuhan University of Science and Technology.Wuhan 430081.Hubei.China International Research Institute for Steel TechnologyWuhan University of Science and Technology.Wuhan 430081.HubeiChina Collaborative Innovation Center for Advanced Steelsw uhan University of Science and Technology.Wuhan 430081.HuleiChina
出 版 物：《Journal of Iron and Steel Research International》 (国际钢铁研究杂志)
年 卷 期：2024年第31卷第4期
页 面：982-997页
核心收录：
学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）]
基 金：supported by the National Natural Science Foundation of China(Grant Nos.12174296,U20A20279,U1532268,U1932134 and U1867215) the Key Research and Development Program of Hubei Province(Grant No.2021BAA057) Hubei Provincial Colleges and Universities Excellent Young and Middle-aged Science and Technology Innovation Team Project(Grant No.T201903) Wuhan City Applied Basic Frontier Project(Grant No.2019010701011382) Wuhan University of Science and Technology Graduate Innovation and Entrepreneurship Fund(Grant No.JCX2021094)and 111 Project(Grant No.2018018)
主 题：Oxidation Crystal structure Diffusion Cracking-First-principles calculation
摘 要：The development of alloys with high antioxidation performance is limited by the ambiguous details of the oxidation ***,based on the structures of internal oxides detected by high-resolution transmission electron microscopy,a hybrid method combining first-principles calculation,climb image nudged elastic band method and quasi-harmonic Debye model has been implemented to explain the oxidation mechanism with an emphasis on the origin of delamination and *** results showed that the delamination of oxides corresponds to the acceleration of diffusion of Cr element caused by lamellar *** reduction in the cracking occurrence at high temperature mainly results from the smaller bulk modulus of ***,the stronger chemical bonds promoted by lamellar structures also correspond to the higher crackingresistance.
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