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|Title:||Data from "Manifestations of metastable criticality in glassy water-like models detected by large-scale structural properties"|
|Contributors:||Gartner III, Thomas E.|
Debenedetti, Pablo G.
|Keywords:||Molecular simulation, water, polyamorphism, hyperuniformity, liquid-liquid transition|
|Abstract:||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.|
|Description:||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. This dataset is too large to download directly from this item page. You can access and download the data via Globus at this link: https://app.globus.org/file-manager?origin_id=dc43f461-0ca7-4203-848c-33a9fc00a464&origin_path=%2F8v5g-b259%2F (See https://docs.globus.org/how-to/get-started/ for instructions on how to use Globus; sign-in is required).|
|Appears in Collections:||Research Data Sets|
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|GlassyCriticalityreadme.txt||README file for dataset||13.61 kB||Text||View/Download|
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