Data from "Manifestations of metastable criticality in glassy water-like models detected by large-scale structural properties"

Gartner III, Thomas E. ; Torquato, Salvatore; Car, Roberto; Debenedetti, Pablo G.
Issue date: 2020
Rights:
Creative Commons Attribution 4.0 International (CC BY)
Cite as:
Gartner III, Thomas E., Torquato, Salvatore, Car, Roberto, & Debenedetti, Pablo G. Data from "Manifestations of metastable criticality in glassy water-like models detected by large-scale structural properties" [Data set]. Princeton University. https://doi.org/10.34770/8v5g-b259
@electronic{gartner_iii_thomas_e_unknown,
  author      = {Gartner III, Thomas E. and
                Torquato, Salvatore and
                Car, Roberto and
                Debenedetti, Pablo G.},
  title       = {{Data from "Manifestations of metastable
                criticality in glassy water-like models
                detected by large-scale structural prope
                rties"}},
  publisher   = {{Princeton University}},
  url         = {https://doi.org/10.34770/8v5g-b259}
}
Description:

This dataset contains all data related to the publication "Manifestations of metastable criticality in glassy water-like models detected by large-scale structural properties" by Gartner et al., in preparation 2020. In this work, we used molecular dynamics simulations to explore the relationship between water's polyamorphism (multiple amorphous solid states) and its hypothesized liquid-liquid transition. Using the TIP4P/2005 molecular model of water, we found a surprising signature of water's liquid-liquid critical point in the long-range structure of water's amorphous solid states formed by isobaric cooling at different pressures. This structural signature was absent in two other systems that lack a critical point. This dataset contains molecular dynamics simulation trajectories, as well as processed data, analysis codes, and image files used in the publication. A full description of the structure of the dataset and how to reproduce the figures in the manuscript are given in the dataset README file.

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