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The thermodynamic and kinetic properties of Mg–rare earth (RE) alloys are not widely known, despite increased research in recent years into their mechanical strengthening mechanisms. To aid in the development of new alloys and strengthening models, the solute–vacancy binding energies for all 17 RE elements in hexagonal close-packed (hcp) Mg are calculated by density functional theory (DFT) in several...
Despite numerous investigations, all previous efforts on thermodynamic modeling of Al-Sr have suffered from inaccurate energetics of either the solid-state compounds or of the liquid alloy. Here, we demonstrate a method yielding simultaneously, accurate solid-state and liquid energetics, as given by first-principles density functional calculations and experimental measurements, respectively. Via first-principles...
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