Fig. 2. (a) Pairwise correlations of computational parameters: atomic radius deviations, lattice parameters, stabilization factors for miscible binary carbides, and electrochemical factors on different scales (top); correlations between different electronegativity scales (bottom). Reproduced from Ref [64]. Copyright Elsevier 2024. (b) Atomic size difference and atomic mass difference vs. thermal conductivity (left) and thermal expansion coefficient (right) at $1100{ }^{\circ }\mathrm{C}$. Reproduced from Ref [67]. Copyright Elsevier 2024. (c) DFT (Density Functional Theory)-computed formation energies of the six model cation arrangements relative to the DFT-derived ground-state cation arrangement (left); oxide compositions are sorted in descending order of the highest DFT-computed formation energy relative to the ground state (right). Reproduced from Ref [60]. Copyright Elsevier 2024. (d) Workflow of machine learning for HECs. Reproduced from Ref [68]. Copyright Elsevier 2024.
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