Fig. 2: The edge-dislocation model created for MD simulations. | Nature Communications

Fig. 2: The edge-dislocation model created for MD simulations.

From: Ultra-dense dislocations stabilized in high entropy oxide ceramics

Fig. 2

a Before doping with rare-earth ions; b After doping with rare-earth ions; c Voronoi atomic volumes distribution of the cations calculated by OVITO software (The color scale denotes the Voronoi volume of each cation (Å3)); d Enthalpy change of an edge dislocation compared with the value of “TΔS”. (SZ, GZ, DZ, EZ, and YZ represent Sm2Zr2O7, Gd2Zr2O7, Dy2Zr2O7, Er2Zr2O7, and Yb2Zr2O7 respectively.).

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