fig7

Cluster-model-embedded first-principles study of thermodynamic stability and elastic properties in <InlineParagraph>(Zr, Ti)C<sub>x</sub></InlineParagraph> carbides

Figure 7. Free energy changes associated with the formation of single-phase (Zr, Ti)Cx solid solution from binary ZrCx and TiCx. (A) Helmholtz free energy change (ΔF); (B) Contributions from vibrational (∆Fvib) and configurational (∆Fconf); (C) Electronic free energy change (∆Fele).

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