Fig. 6: Predictions of the surface kinetic model for ALE cycles at 1000 Ar+ impacts, compared with MD simulations from ref. 62. | npj Computational Materials

Fig. 6: Predictions of the surface kinetic model for ALE cycles at 1000 Ar+ impacts, compared with MD simulations from ref. 62.

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

Fig. 6

An equilibrium Cl coverage was assumed at the start of each bombardment cycle since Cl adsorption equilibrates very fast71. The blue, golden, red, and black lines represent Ar+ energies of 40 eV, 60 eV, 80 eV, and 100 eV, respectively. a Cl uptake in monolayers (ML); the adsorption half cycle is shown only for the first cycle (dashed line in teal). The dashed lines correspond to MD simulations, while the solid lines are the surface kinetic model predictions. b Distance of Si etched (Ã…). The open circles correspond to MD simulations, while the solid lines are predictions from the surface kinetic model.

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