DECIPHERING PHASE FORMATION IN HIGH ENTROPY ALLOYS THROUGH INTEGRATED ANALYSIS OF ELEMENTAL DIVERSITY AND THERMODYNAMIC DESCRIPTORS
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Abstract
The formation of high entropy alloy phases requires interactions of elemental, thermodynamic, and electronic factors, but interpretable statistical evidence in a variety of phase classes is still scarce. This study examined how elemental diversity and selected design descriptors influence phase formation in high entropy alloys. A secondary dataset was analyzed using a quantitative exploratory approach. After preprocessing, four phase classes were retained: amorphous, intermetallic, solid solution, and mixed phase. Key variables included the number of elements, atomic size difference, mixing enthalpy, ideal mixing entropy, valence electron concentration, and electronegativity. Descriptive statistics, one-way ANOVA, and Pearson correlation analysis were applied. Intermetallic and solid solution phases were the most frequent, accounting for 32.82% and 31.73% of the dataset, respectively. Solid solution and mixed phases exhibited higher elemental complexity, ideal mixing entropy, and valence electron concentration, whereas amorphous phases showed the highest atomic size difference and the most negative mixing enthalpy. All parameters varied significantly across phases (p < 0.001), with ideal mixing entropy showing the strongest discriminatory effect. Correlation analysis revealed moderate relationships between atomic size difference and mixing enthalpy, and between valence electron concentration and electronegativity. Phase formation is governed by multiple interacting descriptors rather than a single parameter, providing an interpretable basis for preliminary alloy screening and rational design.
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