Low plasticity limits the wide application of magnesium alloys. The influence of atoms (Gd, Y) on the generalized stacking fault energy (GSFE) is investigated by density functional theory (DFT), and the possibility of activating basal and nonbasal slip systems is quantified. The lattice parameters and elastic constants are also calculated via DFT. The tensile tests of Mg–2Gd, Mg–2Y, and Mg–2Gd–2Y (at%) are carried out to verify the calculated results. It is found that both Gd and Y atoms can improve plasticity, and Gd has a better effect than Y. The different degrees of influence are mainly due to the different electron types of atoms. Gd belongs to the s- and f-electron type and Y belongs to the d-electron type. The further calculation of the electron density difference indicates that Y weakens the influence of the Gd atom, and the mechanism diagram is constructed.

中文翻译：

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用合金原子 (Gd, Y) 改善镁合金的塑性

低塑性限制了镁合金的广泛应用。通过密度泛函理论 (DFT) 研究了原子 (Gd, Y) 对广义堆垛层错能 (GSFE) 的影响，并量化了激活基底和非基底滑移系统的可能性。晶格参数和弹性常数也通过 DFT 计算。进行了 Mg-2Gd、Mg-2Y 和 Mg-2Gd-2Y (at%) 的拉伸试验以验证计算结果。发现Gd和Y原子均能提高塑性，且Gd的效果优于Y。不同程度的影响主要是由于原子的电子类型不同。Gd属于s-和f-电子型，Y属于d-电子型。进一步计算电子密度差表明Y减弱了Gd原子的影响，构建了机理图。