Electronegativity and enthalpy of mixing biplots for High Entropy Alloy solid solution prediction

Analysis of the applicability of different electronegativity scales (XAllen, XPauling, and XMulliken) as a replacement for the empirical valence electron concentration (VEC) parameter to determine High Entropy Alloy (HEA) solid-solution stability is performed, using statistical methods (via cluster analysis and probability density function). The analysis is conducted on a dataset consisting of 617 entries. The results show that XAllen is better suited to predict solid-solution stability when utilising only one parameter. However, substituting XAllen for XMulliken offers better prediction in a biplot with the enthalpy of mixing (ΔH). An analysis of the VEC-ΔH biplot shows that phase separation in the biplots can be attributed to changes in the electronic structure.