稀土元素的晶界偏析对镁合金变形行为的影响

S. Li, H. Y. Song
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摘要

与稀土(RE)元素合金化是改善镁合金机械性能的有效方法。然而,稀土元素 Y 对镁合金的强化机理仍有待进一步揭示。本文采用分子动力学模拟方法研究了 RE 元素 Y 的晶界偏析对镁合金力学性能和晶界稳定性的影响。结果表明,Y 原子的晶界偏析能显著提高镁合金的屈服强度和晶界稳定性。GB 上的 Y 原子含量越高,GB 的稳定性就越强,合金的强度就越高。结果还表明,随着 GB 上 Y 原子含量的增加,GB 明显变厚,这是由于 Y 原子的扩散导致了镁合金的固态非晶化。结果表明,随着 GB 处 Y 含量的增加,镁合金经历了从 GB 和位错共同滑动为主的塑性变形到仅有位错滑动的转变。这项研究为设计和制备高性能镁合金提供了理论依据。
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Effect of grain boundary segregation of rare earth element on deformation behavior of Mg alloys
Alloying with rare earth (RE) elements is an effective way to improve the mechanical properties of the Mg alloys. However, the strengthening mechanism of RE element Y on the Mg alloys still needs to be further revealed. The effect of grain boundary (GB) segregation of RE element Y on the mechanical properties and the GB stability of the Mg alloys are investigated by the molecular dynamics simulation method. The results show that the GB segregation of Y atoms can significantly increase the yield strength and GB stability of the Mg alloys. The higher the content of Y atoms at the GB, the stronger the stability of the GB and the higher the strength of the alloys. The results also show that the GBs thicken significantly with increasing Y content at the GBs, which is attributed to the diffusion of Y atoms, leading to the solid-state amorphization of the Mg alloys. The results indicate that with the increase of Y content at the GBs, the Mg alloys undergo a transition from the plastic deformation dominated by the co-sliding of GBs and dislocations to the slip of dislocations only. This work provides a theoretical basis for the design and preparation of high-performance Mg alloys.
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