fig7

A data-driven comparative study of thermomechanical properties in rare-earth zirconate and tantalate oxides for thermal barrier coatings

Figure 7. Correlation analysis across RE3TaO7 and RE2Zr2O7 between target properties and fundamental descriptors, including are-earth ionic radius ($$ r_{RE^{3+}} $$), equilibrium volume (V0), total energy (E0), formation energy (Eform), bond energy (Eb) for RE–O, Ta–O, and Zr–O bonds, bond-length disorder (Db) and Bader charge disorder (De). Pearson correlation heatmap for (A) RE3TaO7 and (B) RE2Zr2O7. Colored sidebars indicate feature clusters derived from hierarchical clustering; (C) SHAP analysis showing the top five most influential features (ranked by mean SHAP value) for predicting KIC and κL in each system. RE: Rare-earth; SHAP: SHapley Additive exPlanations.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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