Fig. 3: Performance of the surface kinetic model for ALE on test data. | npj Computational Materials

Fig. 3: Performance of the surface kinetic model for ALE on test data.

From: A neural master equation framework for multiscale modeling of molecular processes: application to atomic-scale plasma processes

Fig. 3

The solid blue line, black dash-dot line, and red dashed line represent the occupation probabilities predicted by the surface kinetic model in the mixed layer (I), surface (II), and bulk gas (III), respectively, while the open circles denote the corresponding occupation probabilities from MD simulations. a 119 Ar+ impacts at 49 eV energy. b 261 Ar+ impacts at 51 eV energy. c 311 Ar+ impacts at 61 eV energy. d 593 Ar+ impacts at 43 eV energy. These combinations of ion dose and energy were not included in the training data, but the ion energy is within the training range of 30-70 eV.

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