Local atomic structure of liquid Al87Mg13 alloy
Source abstract
Abstract
The structure of the liquid Al 87Mg 13 alloy was investigated by high-temperature X-ray diffraction, reverse Monte Carlo (RMC) simulations, and the Voronoi diagram method. The quantitative characteristics of the short-range order: the number of the nearest neighboring atoms, the radius of the first coordination sphere, the distribution of valence angles were calculated by the experimental and simulated data. The calculated Warren-Cowley parameter α 1 points out the existence of the chemical short-range order in the liquid Al 87Mg 13 alloy that dissimilar atoms prefer to be the nearest neighbors (i.e., Al-Mg). The peculiarities inherited to an icosahedral structure were found in the bond-angle distribution (Al-Al-Al) simulated by the RMC method. This result is in good consensus with the analysis of the topological indices of the Voronoi polyhedra built around Al atoms.
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Research context
OpenAlex topics: Quasicrystal Structures and Properties · Thermodynamic and Structural Properties of Metals and Alloys · Phase-change materials and chalcogenides
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