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利用包含置换原子和间隙原子的层错能势力学模型,计算了不同 N含量下 Fe-30Mn-63Si-xN形状记忆合金的层错能计算结果表明, N对合金层错能的作用是先增加后降低(存在一个转折点 p,对应 N含量(质量分数)为 ωp):当少量的 N固溶在合金中(ωN<ωp)时,由于N和近邻原子间的交互作用,合金的层错能有所增加;在N含量比较高时(ωN>ωp),N在层错区的偏聚对层错能的降低起了重要作用.N在合金中不同的间隙占位,将直接影响ωp值:N位于八面体间隙位置时,ωp约为0.35%;若N位于四面体间隙位置,ωp仅为0.15%.
The stacking fault energy calculations of Fe-30Mn-63Si-xN shape memory alloys with different N contents were carried out using the stacking fault energy mechanics model with displacement atoms and interstitials. The results show that the effect of N on the stacking fault energy first increases (There is a turning point p corresponding to the content of N (mass fraction) ωp): When a small amount of N solid solution in the alloy (ωN <ωp), due to the interaction between N and the adjacent atoms, the alloy layer fault energy , And the N concentration in the fault zone plays an important role in the decrease of the fault energy when the content of N is high (ωN> ωp). N occupies a different gap in the alloy, which will directly affect the value of ωp: ω is about 0.35% when N is located in the octahedral interstitial position; ωp is only 0.15% if N is located in the tetrahedral interstitial position.