Segregation and influence of alloying elements at fcc-Fe/NbX (X=C, N) interface

doi:10.13251/j.issn.0254-6051.2022.04.009

Heat Treatment of Metals ›› 2022, Vol. 47 ›› Issue (4): 57-62.DOI: 10.13251/j.issn.0254-6051.2022.04.009

• MATERIALS RESEARCH • Previous Articles Next Articles

Segregation and influence of alloying elements at fcc-Fe/NbX (X=C, N) interface

Yang Jing¹, Dong Nan¹, Jiang Zhouhua², Han Peide¹

1. College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan Shanxi 030024, China;
2. School of Metallurgy, Northeastern University, Shenyang Liaoning 110004, China

Received:2021-11-27 Revised:2022-01-07 Online:2022-04-25 Published:2022-05-19

Abstract

Abstract: Based on the first-principles method of density functional theory (DFT), the segregation behavior of Si, Ni, Mn, Cr, and Mo at the fcc-Fe/NbX (X=C, N) interface was studied, and the influence of alloying element segregation on interface system was analyzed. The results show that the bonding strength of the fcc-Fe/NbN interface is slightly improved compared to that of the fcc-Fe/NbC interface. Si exists stably in the Fe matrix, Ni and Mn have a slight tendency to segregate at the interface, and Cr and Mo segregate in the interface and NbX (X=C, N). Among them, Mo has a greater tendency to segregate toward the interface. The segregation of Cr and Mo at the fcc-Fe/NbC interface reduces the bonding ability of the interface to a certain extent, but the stability of the system is improved. The segregation of Cr and Mo at the fcc-Fe/NbN interface improves the bonding ability of the interface to a certain extent, but Mo reduces the stability of the system.

Key words: alloying element, fcc-Fe/NbX (X=C, N) interface, interface segregation, first-principles

CLC Number:

TG142.71

Yang Jing, Dong Nan, Jiang Zhouhua, Han Peide. Segregation and influence of alloying elements at fcc-Fe/NbX (X=C, N) interface[J]. Heat Treatment of Metals, 2022, 47(4): 57-62.

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Segregation and influence of alloying elements at fcc-Fe/NbX (X=C, N) interface

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