fig2

Integrating computational materials science and materials informatics for the modeling of phase stability

Figure 2. Thermodynamic calculations and experimental verifications of Sm2Co17 alloys with different grain sizes[74]. (A) Calculated Gibbs free energy differences between hexagonal (2:17H) and rhombohedral (2:17R) phases as a function of grain size at different temperatures. (B) Calculated Gibbs free energies of nanocrystalline 2:17H and 2:17R phases as a function of grain size at 1000 K. (C) Transmission electron microscopy images, electron diffraction patterns and indexing of nanocrystalline Sm2Co17 bulk samples in the as-prepared state (C1), annealed at 973 K for 1 h (C2) and annealed at 1073 K for 1 h (C3), respectively.

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