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Molecular dynamics study on characteristics of reflection and condensation molecules at vapor–liquid equilibrium state

Fig 5

Results of k-means method.

(a) Dataset classified into two clusters. Blue dots represent the cluster of reflection molecules, and orange dots represent the cluster of condensation/evaporation molecules. Inset shows that the two clusters are divided by a dotted line at approximately zreach = −1.0. (b) Percentages of excluded molecules from each cluster in the case where the liquid boundary was set at .

Fig 5

doi: https://doi.org/10.1371/journal.pone.0248660.g005