首页|Electronic-scale assessment of high-temperature oxidation mechanisms in a novel Fe-based alloy
Electronic-scale assessment of high-temperature oxidation mechanisms in a novel Fe-based alloy
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The development of alloys with high antioxidation performance is limited by the ambiguous details of the oxidation mechanism.Here,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 cracking.The results showed that the delamination of oxides corresponds to the acceleration of diffusion of Cr element caused by lamellar structures.The reduction in the cracking occurrence at high temperature mainly results from the smaller bulk modulus of oxides.Furthermore,the stronger chemical bonds promoted by lamellar structures also correspond to the higher cracking resistance.
The State Key Laboratory of Refractories and Metallurgy,Wuhan University of Science and Technology,Wuhan 430081,Hubei,China
Hubei Province Key Laboratory of Systems Science in Metallurgical Process,Wuhan University of Science and Technology,Wuhan 430081,Hubei,China
International Research Institute for Steel Technology,Wuhan University of Science and Technology,Wuhan 430081,Hubei,China
Collaborative Innovation Center for Advanced Steels,Wuhan University of Science and Technology,Wuhan 430081,Hubei,China
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国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金湖北省重点研发计划Hubei Provincial Colleges and Universities Excellent Young and Middleaged Science and Technology Innovation Team ProjectWuhan City Applied Basic Frontier ProjectWuhan University of Science and Technology Graduate Innovation and Entrepreneurship Fund111 Project
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