Fig. 9: Predicted formation energies and atomic distributions in the stacking fault (SF) region during Monte Carlo (MC) simulations. | npj Computational Materials

Fig. 9: Predicted formation energies and atomic distributions in the stacking fault (SF) region during Monte Carlo (MC) simulations.

From: A crystal graph convolutional neural network framework for predicting stacking fault energy in concentrated alloys

Fig. 9

a Predicted formation energy as a function of MC steps. b Comparison of predicted formation energies with true values. c–f The number of Co, Ni, Al, and Cr atoms in the first and second nearest-neighbor (1NN + 2NN) regions of the SF region.

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