Fig. 4: Large-scale molecular dynamics simulation of the inter-dimensional transformation of stanene. | npj Computational Materials

Fig. 4: Large-scale molecular dynamics simulation of the inter-dimensional transformation of stanene.

From: Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene

Fig. 4

a The monolayer–bulk transition at ~200 K. Using common neighbor analysis, the orange atoms are identified as bcc sites, and atoms of other colors are identified as other sites. b Frames from ~500 K NPT simulation with 10,000 atoms (39.4 × 22.7 nm) at 100, 200, 400, and 600 ps, showing the melting process of the monolayer.

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