Al-Mg合金晶界偏析和晶界扩散的原子学研究

Raj Kiran Koju, Y. Mishin
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引用次数: 60

摘要

摘要:Mg的晶界偏析和扩散影响Al-Mg合金的加工和性能。然而,Mg - GB在Al中的扩散还没有实验测量或模拟预测。应用原子计算机模拟预测了Mg - GB偏析的量和自由能,以及偏析对两种合金组分GB扩散的影响。在低温下,Mg原子分离成倾斜的GB形状,形成具有高度各向异性的团簇。Mg在Al GB中的扩散速度比Al本身慢,与Al GB自扩散相比,两者的扩散速度都慢。因此,Mg偏析显著降低了Al-Mg合金中沿GBs的质量输运速率。原子迁移率的降低可以提高高温下微观结构的稳定性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Atomistic Study of Grain-Boundary Segregation and Grain-Boundary Diffusion in Al-Mg Alloys
Abstract Mg grain boundary (GB) segregation and GB diffusion can impact the processing and properties of Al-Mg alloys. Yet, Mg GB diffusion in Al has not been measured experimentally or predicted by simulations. We apply atomistic computer simulations to predict the amount and the free energy of Mg GB segregation, and the impact of segregation on GB diffusion of both alloy components. At low temperatures, Mg atoms segregated to a tilt GB form clusters with highly anisotropic shapes. Mg diffuses in Al GBs slower than Al itself, and both components diffuse slowly in comparison with Al GB self-diffusion. Thus, Mg segregation significantly reduces the rate of mass transport along GBs in Al-Mg alloys. The reduced atomic mobility can be responsible for the improved stability of the microstructure at elevated temperatures.
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