Fig. 2: Sketch-map representation of the C2S2H10 clusters.
From: Multi-step nucleation pathway of C-S-H during cement hydration from atomistic simulations
Each point represents a different primary particle (PP), and the distances between points represent the structural similarity between the PPs. The closer the points are, the more similar their structures are and vice versa. The colormap in (a) represents the energy difference ΔE with respect to the lowest energy PP. The atomic structure of the best PPs are also shown, with Ca atoms represented in green, Si atoms in orange, O atoms in red and H atoms in white. The regions I and II each represent a group of low energy PPs with similar structural properties. b–g Collection of structural properties of the clusters color mapped into the same Sketch-map. nSi−O, nCa−O, nSi−O−Si and nCa−O−Ca represent respectively the number of Si-O, Ca-O, Si-O-Si and Ca-O-Ca bonds. n\({}_{{{{{{{{{\rm{H}}}}}}}}}_{2}{{{{{{{\rm{O}}}}}}}}}\) and nOH represent the number of water molecules and hydroxil groups in the PP. Source data are provided as a Source Data file.
