fig7

PhyMLP: an automated strategy for machine-learning potential construction via data fusion and adaptive point-sampling

Figure 7. Comparison of formation and binding energies for point-defect clusters between the machine-learned potential and DFT calculations. (A) Total and (D) per-vacancy binding energies of vacancy clusters; (B) Formation and (E) binding energies of <111> interstitial clusters; (C) Formation and (F) binding energies of <100> interstitial clusters. DFT: Density functional theory.

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