Characterization of L12-Al3Ce phase and its purification mechanism in the Al-Ce-TiCN alloy

IF 4.8 2区材料科学 Q1 MATERIALS SCIENCE, CHARACTERIZATION & TESTING Materials Characterization Pub Date : 2024-10-01 DOI:10.1016/j.matchar.2024.114425

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Abstract

Rare earth element Ce has a positive purifying effect on Fe and Si impurities in pure aluminum. In this study, we unveiled the mechanism of Ce purification of Fe and Si impurities in commercial pure aluminum at the atomic scale via utilizing the properties of TiCN nanoparticles, which exhibit distribution along grain boundaries and impede solute atom diffusion at specific cooling rates. The transition phase L1₂-Al₃Ce was characterized in aluminum, which is considered to be an important transition phase to purified products. Furthermore, High Angle Dark Field Scanning Transmission Electron Microscopy (HADDF-STEM) and 3D Atom Probe Tomography (3D-APT) results showed that Ce could respectively enrich the Fe and Si impurities, resulting in the formation of Al-Ce-Fe and Al-Ce-Si clusters. Density functional theory (DFT) results indicated that Fe and Si atoms can incorporate into L1₂-Al₃Ce crystal, forming more stable structures and therefore giving rise to the formation of Al-Ce-Si and Al-Ce-Fe nanoclusters. This study provides atomic-scale insights into the mechanism of Ce purifying Fe and Si impurities in aluminum.

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Al-Ce-TiCN 合金中 L12-Al3Ce 相的特征及其纯化机制

稀土元素 Ce 对纯铝中的铁和硅杂质具有积极的净化作用。在这项研究中，我们利用 TiCN 纳米粒子的特性，在原子尺度上揭示了 Ce 在商业纯铝中提纯铁和硅杂质的机理，TiCN 纳米粒子沿晶界分布，并在特定冷却速率下阻碍溶质原子扩散。对铝中的过渡相 L12-Al3Ce 进行了表征，该相被认为是纯化产品的重要过渡相。此外，高角度暗场扫描透射电子显微镜（HADDF-STEM）和三维原子探针断层扫描（3D-APT）结果表明，Ce 可分别富集 Fe 和 Si 杂质，从而形成 Al-Ce-Fe 和 Al-Ce-Si 团簇。密度泛函理论（DFT）结果表明，Fe 原子和 Si 原子可以融入 L12-Al3Ce 晶体，形成更稳定的结构，从而形成 Al-Ce-Si 和 Al-Ce-Fe 纳米团簇。这项研究从原子尺度上揭示了 Ce 净化铝中 Fe 和 Si 杂质的机理。

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来源期刊

Materials Characterization 工程技术-材料科学：表征与测试

CiteScore

7.60

自引率

8.50%

发文量

746

审稿时长

36 days

期刊介绍： Materials Characterization features original articles and state-of-the-art reviews on theoretical and practical aspects of the structure and behaviour of materials. The Journal focuses on all characterization techniques, including all forms of microscopy (light, electron, acoustic, etc.,) and analysis (especially microanalysis and surface analytical techniques). Developments in both this wide range of techniques and their application to the quantification of the microstructure of materials are essential facets of the Journal. The Journal provides the Materials Scientist/Engineer with up-to-date information on many types of materials with an underlying theme of explaining the behavior of materials using novel approaches. Materials covered by the journal include: Metals & Alloys Ceramics Nanomaterials Biomedical materials Optical materials Composites Natural Materials.