A low copper content alloy Al(1-x)Cux, x≤0.1: A joint computational and experimental study
Atomistic simulation of Al1-xCux (x ≤ 0.1) alloy is performed and the mechanical properties are calculated within the framework of the density functional theory (DFT) by using of the virtual crystal approximation (VCA). The elastic matrix is calculated within the DFT using the CASTEP code and the de...
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Veröffentlicht in: | Physica. B, Condensed matter Condensed matter, 2025-01, Vol.697, p.416741, Article 416741 |
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Hauptverfasser: | , , , , , , , , , , , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Atomistic simulation of Al1-xCux (x ≤ 0.1) alloy is performed and the mechanical properties are calculated within the framework of the density functional theory (DFT) by using of the virtual crystal approximation (VCA). The elastic matrix is calculated within the DFT using the CASTEP code and the dependences of Young's, shear and bulk moduli, Vickers hardness, Poisson's ratio, plasticity coefficient and anisotropy indices on the amount of copper are obtained. Al0.9Cu0.1 alloy was synthesized by spark plasma sintering (SPS) method. As a result, the aluminum and intermetallic CuAl2 phases were identified in the obtained sample by X-ray diffraction patterns. The microstructure (SEM) and Vickers microhardness of the sample were studied. The results of the work compensate for the lack of data for the Al-Cu alloys with a low copper content. |
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ISSN: | 0921-4526 |
DOI: | 10.1016/j.physb.2024.416741 |