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Influence of Ni and N on generalized stacking-fault energies in Fe-Cr-Ni alloy: A first principle study |
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| Authors: | Jie LiuPeide Han Minghui DongGuangwei Fan Guanjun QiaoJianfeng Yang |
| Institution: | a School of Materials Science and Engineering, Xi'an Jiaotong University, Xi'an 710002, China b College of Materials Science and Engineering, Taiyuan University of Technology, 79 West Yingze Street, Taiyuan 030024, China c State Key Laboratory of Advanced Stainless Steel Materials, Taiyuan Iron and Steel (Group) Co., Ltd., Taiyuan 030003, China |
| Abstract: | The alloying effects of Ni and N were examined in terms of the generalized stacking-fault (SF) energy (GSFE). GSFE is associated with the basal plane of Fe-Cr-Ni austenitic stainless steel. The GSFE profiles were obtained using first-principle calculations. The results show that Ni increases the intrinsic SF energy γisf and the unstable SF energy γus. N does the opposite. However, a γisf/γus ratio close to zero accompanies the addition of Ni or N. This ratio implies that deformation by partial dislocation is preferred. Overall, the effect of N on Fe-Cr-Ni alloys is more evident than that of Ni. |
| Keywords: | Density functional Stainless steel Stacking-fault energies Alloys |
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