fig6

Effects of solutes on thermodynamic properties of (TMZrU)C (TM = Ta, Y) medium-entropy carbides: a first-principles study

Figure 6. The chemical bonding of investigated medium entropy carbides (MECs) characterized by the 3D and 2D views of bonding charge density isosurfaces (Δρ = 0.016 e -Å-3), (A) (TaZrU)C; (B) (YZrU)C. The green and the pink colors are utilized to highlight those atoms presenting the negative and the positive charge, respectively.

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