Tianlun Tan, Lei Sun, Yingjin Cheng, Jianxin Huang, Hao Wang
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引用次数: 0
Abstract
The trapping behavior of hydrogen atoms at the interfaces between different precipitated carbides (TiC, VC and NbC) and ferrite matrix under alloying elements (Mn, Cr, Mo, Cu, Ni and Si) are studied by first-principles method. The trapping ability of different interface traps are quantitatively compared by analyzing the segregation energies of hydrogen atoms. The trapping ability of mismatched dislocation cores and their intersections is stronger than that of coherent interfaces. The orders of H trapping ability of the carbides in different interface traps are discussed. It is found that the addition of alloy elements leads to an increasement in the segregation energy relative to their corresponding sites in the clean interface, except for Cu addition in VC/Fe and TiC/Fe and Ni in VC/Fe Fe-on-C configurations.
期刊介绍：
Metals and Materials International publishes original papers and occasional critical reviews on all aspects of research and technology in materials engineering: physical metallurgy, materials science, and processing of metals and other materials. Emphasis is placed on those aspects of the science of materials that are concerned with the relationships among the processing, structure and properties (mechanical, chemical, electrical, electrochemical, magnetic and optical) of materials. Aspects of processing include the melting, casting, and fabrication with the thermodynamics, kinetics and modeling.
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