Mg-Ce alloys have been attracting attention because a small amount of Ce addition improves the ductility of Mg at room temperature. When Ce is added, non-basal slip related to improved ductility has been observed. However, the mechanism for activating non-basal slip by Ce has not been understood. In this study, the effect of Ce on slip behavior in Mg is investigated using a molecular dynamics simulation and interatomic potentials for pure Ce and Mg-Ce binary systems have been developed based on the second nearest-neighbor modified embedded-atom method formalism for molecular dynamics simulations. It is found that a small amount of Ce addition has little effect on the critical resolved shear stress (CRSS) of the pyramidal II slip, but significantly increases the CRSS of the basal and prismatic slip. Consequently, it reduces the CRSS anisotropy among slip systems and activates the non-basal slip. This study suggests that reduced CRSS anisotropy due to the difference in the solute-dislocation binding tendency among slip systems can be the reason for the non-basal slip activation, providing a guideline for Mg alloy design to improve the alloy’s ductility.

Mg-Ce合金已引起关注，因为少量Ce的添加改善了室温下Mg的延展性。当添加Ce时，已观察到与延展性相关的非基层滑移。但是，尚不了解Ce激活非基础滑移的机制。在这项研究中，使用分子动力学模拟研究了Ce对Mg中滑移行为的影响，并基于第二近邻改进的嵌入原子方法的分子式，开发了纯Ce和Mg-Ce二元体系的原子间电势。动力学模拟。发现少量Ce的添加对金字塔II滑移的临界分辨剪切应力（CRSS）几乎没有影响，但显着增加了基体和棱柱滑移的CRSS。所以，它减少了滑移系统之间的CRSS各向异性并激活了非基滑移。这项研究表明，由于滑移系统之间溶质-位错结合趋势的差异而导致的CRSS各向异性的降低可能是非基础滑移激活的原因，这为镁合金设计以提高合金的延展性提供了指导。