High-throughput materials screening algorithm based on first-principles density functional theory and artificial neural network for high-entropy alloys

HIGHLIGHTS

• who: Meena Rittiruam from the (CECC), Chulalongkorn UniversityThailand have published the article: High-throughput materials screening algorithm based on first-principles density functional theory and artificial neural network for high-entropy alloys, in the Journal: Scientific Reports Scientific Reports
• what: A combination of DFT and ANN was employed to predict the possible formulae of penta-metallic high-entropy alloys.

SUMMARY

This work presents the ML prediction on the thermodynamically stable PtPd-based HEAs via E f. The training and test datasets of lattice parameters (a) and E f are obtained from . . .

 



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