Al-Cu-Li-Mg-Ag合金T1析出板中Ag和Mg的分布

IF 8.3 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
S.L. Yang, N. Wilson, B.D. Esser, J. Etheridge, J.F. Nie
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引用次数: 0

摘要

采用原子分辨率高角环形暗场(HAADF)扫描透射电子显微镜(STEM)和近原子分辨率能量色散x射线能谱(EDX)-STEM对峰时效Al-Cu-Li-Mg-Ag合金中1、2和3个单位电池厚度的T1析出板进行了研究。与之前关于Ag和Mg原子位置的相互矛盾的报告相反,STEM观察显示,无论板的厚度如何,Ag倾向于分离到T1的宽界面。相反,Mg始终停留在T1/α-Al宽界面和T1板的内部区域,作为Al-Cu-Li-Mg-Ag合金中T1相的组成元素。通过密度泛函理论(DFT)计算得到了Ag和Mg在T1板中的分布。DFT结果进一步表明,Mg原子倾向于取代原来位于T1板上的Li原子。此外,如果银原子存在于T1板内,则在T1板内部区域几乎不存在银,这可以归因于银-铜键的不稳定,因为银原子在T1板内存在时,反键态的显著填充导致银-铜键的不稳定。对于Mg,其取代T1板中Li原子的能力是由增强化学键的形成驱动的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Distribution of Ag and Mg in T1 precipitate plates in an Al-Cu-Li-Mg-Ag alloy

Distribution of Ag and Mg in T1 precipitate plates in an Al-Cu-Li-Mg-Ag alloy
T1 precipitate plates of one, two and three unit-cell thicknesses in a peak-aged Al-Cu-Li-Mg-Ag alloy are examined using atomic-resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) and near atomic-resolution energy-dispersive X-ray spectroscopy (EDX)-STEM. In contrast to previous conflicting reports regarding the positions of Ag and Mg atoms, STEM observations reveal that Ag tends to segregate to the broad interfaces of T1, irrespective of the thickness of the plates. Conversely, Mg consistently stays at both the T1/α-Al broad interfaces and the interior region of the T1 plates, acting as a constituent element of the T1 phase in the Al-Cu-Li-Mg-Ag alloys. The observed distribution of Ag and Mg in the T1 plates is supported by density functional theory (DFT) calculations. The DFT results further suggest that Mg atoms tend to replace Li atoms originally located in the T1 plates. Moreover, the near absence of Ag in the interior region of the T1 plate can be attributed to the destabilisation of Ag-Cu bonds through significant filling of antibonding states if Ag atoms were present within the T1 plate. Regarding Mg, its ability to replace Li atoms in the T1 plate is driven by the formation of enhanced chemical bonding.
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来源期刊
Acta Materialia
Acta Materialia 工程技术-材料科学:综合
CiteScore
16.10
自引率
8.50%
发文量
801
审稿时长
53 days
期刊介绍: Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.
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