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A new complex ternary phase in the Al-Cr-Sc push-pull alloy.

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Title: A new complex ternary phase in the Al-Cr-Sc push-pull alloy.
Authors: Burkhardt, F.1,2,3,4, Skela, B.1, Daneu, N.1, Samardzija, Z.1, Šturm, S.1,3,4, Gaudry, E.3,4,5, Kobe, S.1,3,4, Dubois, J.-M.1,3,4,5 jean-marie.dubois@ijs.si
Source: Journal of Alloys & Compounds. Nov2018, Vol. 768, p230-239. 10p.
Subjects: Aluminum alloys, Intermetallic compounds, Atmosphere, Microstructure, Scanning electron microscopy, Crystal structure
Abstract: Abstract The purpose of this study is to find new ternary intermetallic compounds within the Al-Cr-Sc system, which is typical of a push-pull system in which two constituents (Cr and Sc) are immiscible, whilst they form compounds, respectively, with the third constituent (Al). By arc-melting of the three components aluminium (Al), chromium (Cr) and scandium (Sc) under inert atmosphere, a range of different alloys was produced. The microstructure was observed using scanning electron microscopy (SEM) and the phase compositions were analysed by electron dispersive X-ray spectroscopy (EDS). The samples were measured with X-ray diffraction (XRD) and transmission electron microscopy. The results were confirmed by Rietveld refinement. Three different phases were found in the microstructure of the samples, the two known binary phases Al 16 Cr 10 and Al 3 Sc and a new ternary phase coined ϕ-Al 8 Cr 4 Sc. ϕ-Al 8 Cr 4 Sc showed great similarities to other Al 8 Cr 4 RE compounds with tetragonal I 4/ mmm crystal structure. Starting from the structure of already known Al 8 Cr 4 RE crystals, ab initio calculations were performed to determine the crystallographic parameters of ϕ-Al 8 Cr 4 Sc and also to investigate its electronic structure, which identified the energy band factor as the key factor that determines the stability of this compound. The lattice parameters and atomic positions were found in good agreement with the ones obtained by Rietveld refinement. Experimental atomic resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) image analysis of the ϕ-Al 8 Cr 4 Sc phase confirmed the predicted atomic model. Graphical abstract Image 1 Highlights • For the first time, a ternary phase was uncovered in the Al-Cr-Sc push-pull alloy. • The crystalline structure is tetragonal, I 4/ mmm , with 26 atoms per unit cell. • DFT computation of the DOS gives insight in the stability of the compound. • The respective roles of hybridization and Hume-Rothery mechanisms are discussed. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:Abstract The purpose of this study is to find new ternary intermetallic compounds within the Al-Cr-Sc system, which is typical of a push-pull system in which two constituents (Cr and Sc) are immiscible, whilst they form compounds, respectively, with the third constituent (Al). By arc-melting of the three components aluminium (Al), chromium (Cr) and scandium (Sc) under inert atmosphere, a range of different alloys was produced. The microstructure was observed using scanning electron microscopy (SEM) and the phase compositions were analysed by electron dispersive X-ray spectroscopy (EDS). The samples were measured with X-ray diffraction (XRD) and transmission electron microscopy. The results were confirmed by Rietveld refinement. Three different phases were found in the microstructure of the samples, the two known binary phases Al 16 Cr 10 and Al 3 Sc and a new ternary phase coined ϕ-Al 8 Cr 4 Sc. ϕ-Al 8 Cr 4 Sc showed great similarities to other Al 8 Cr 4 RE compounds with tetragonal I 4/ mmm crystal structure. Starting from the structure of already known Al 8 Cr 4 RE crystals, ab initio calculations were performed to determine the crystallographic parameters of ϕ-Al 8 Cr 4 Sc and also to investigate its electronic structure, which identified the energy band factor as the key factor that determines the stability of this compound. The lattice parameters and atomic positions were found in good agreement with the ones obtained by Rietveld refinement. Experimental atomic resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) image analysis of the ϕ-Al 8 Cr 4 Sc phase confirmed the predicted atomic model. Graphical abstract Image 1 Highlights • For the first time, a ternary phase was uncovered in the Al-Cr-Sc push-pull alloy. • The crystalline structure is tetragonal, I 4/ mmm , with 26 atoms per unit cell. • DFT computation of the DOS gives insight in the stability of the compound. • The respective roles of hybridization and Hume-Rothery mechanisms are discussed. [ABSTRACT FROM AUTHOR]
ISSN:09258388
DOI:10.1016/j.jallcom.2018.07.239