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First‑Principles Study on Stacking Fault Energy of γ‑Fe–Mn Alloys
Chengjun Wang,Wujie Zu,Hao Wang,Yang Wang 대한금속·재료학회 2021 METALS AND MATERIALS International Vol.27 No.9
The ground state properties and generalized stacking fault energy (GSFE) of γ-Fe–Mn alloys with different Mn concentrationsare calculated by ab initio simulation. The calculation results of intrinsic stacking fault energies (ISFE) show that Mn atomshave a significant short-range effect on the ISFE; the parabolic relationship between ISFE and Mn atom concentration ofantiferromagnetic (AFM) Fe–Mn alloys is explained by the cohesive energy and density of states (DOS) of the alloys. AFMincreases ISFE of γ-Fe–Mn alloys compared to non-magnetic (NM). The importance of considering magnetic interactionsin ISFE of γ-Fe–Mn alloys is proven and it is very significant to study the deformation behavior of medium manganese steel.