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Abstract The interplay between semi-empirical parameters for multi-principle-component alloy (or High-entropy alloy) phase prediction may be partly attributed to deviations in the Miedema mixing enthalpy from quantum principles. Thus, the… Click to show full abstract
Abstract The interplay between semi-empirical parameters for multi-principle-component alloy (or High-entropy alloy) phase prediction may be partly attributed to deviations in the Miedema mixing enthalpy from quantum principles. Thus, the electron density, n(rws) is investigated using a Runge-Kutta solution of the Thomas-Fermi-Dirac equation from Wigner-Seitz radius values approximated experimentally from the weighted mean volume-per-atom, following the fraction of each phase present. The results show that 1) Phase stability may be affected by alloy periodicity; and 2) A rapid drop of n(rws) is observed even when small amounts of the complex phase are detected,
Journal Title: Scripta Materialia
Year Published: 2018
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