Fig. 2: Distribution of metal atoms in considered models of HEC. | npj Computational Materials

Fig. 2: Distribution of metal atoms in considered models of HEC.

From: Machine learning-driven synthesis of TiZrNbHfTaC5 high-entropy carbide

Fig. 2: Distribution of metal atoms in considered models of HEC.

Crystal structures of the simulated 16 × 16 × 16 supercell of a multi- and b single-phase (Ti-Zr-Nb-Hf-Ta)C at 500 and 2000 K, respectively. Carbon atoms are not shown here explicitly to make the distribution of metal atoms clearer, while carbon atoms were considered in the CMC simulations; c, d relative concentration of chemical elements per layer along the supercell vector b.

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