First-Principles Study on Stacking Fault Energy of γ-Fe-Mn Alloys

被引：8

作者：

Wang, Chengjun ^{[1
]}

Zu, Wujie ^{[1
]}

Wang, Hao ^{[1
]}

Wang, Yang ^{[2
]}

机构：

[1] Shanghai Univ, Sch Mat Sci & Engn, Shanghai Key Lab Adv Ferromet, State Key Lab Adv Special Steels, Shanghai 200444, Peoples R China

[2] Shanghai Univ, Sch Comp Engn & Sci, Shanghai 200444, Peoples R China

来源：

METALS AND MATERIALS INTERNATIONAL | 2021年 / 27卷 / 09期

关键词：

gamma-Fe-Mn alloys; Stacking fault energy; Antiferromagnetic; First-principles; MECHANICAL-PROPERTIES; TRANSFORMATION; STRAIN; STABILITY; CARBON; PHASE; STEEL; ANTIFERROMAGNETISM; MORPHOLOGY; NITROGEN;

D O I：

10.1007/s12540-020-00821-7

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The ground state properties and generalized stacking fault energy (GSFE) of gamma-Fe-Mn alloys with different Mn concentrations are calculated by ab initio simulation. The calculation results of intrinsic stacking fault energies (ISFE) show that Mn atoms have a significant short-range effect on the ISFE; the parabolic relationship between ISFE and Mn atom concentration of antiferromagnetic (AFM) Fe-Mn alloys is explained by the cohesive energy and density of states (DOS) of the alloys. AFM increases ISFE of gamma-Fe-Mn alloys compared to non-magnetic (NM). The importance of considering magnetic interactions in ISFE of gamma-Fe-Mn alloys is proven and it is very significant to study the deformation behavior of medium manganese steel. Graphic We have investigated the stacking fault energy of antiferromagnetic gamma-Fe-Mn alloys and proved that that magnetism has an important influence on stacking fault energy in gamma-Fe-Mn alloys. We have confirmed the parabolic relationship between ISFE and Mn atom concentration of AFM-Fe-Mn alloys can be explained by the cohesive energy and DOS of the alloys.

引用

页码：3205 / 3213

页数：9

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