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Supplementary Information for "Nuclear Quantum Effects on Glassy Water under Pressure: Vitrification and Pressure-Induced Transformations"

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posted on 2024-12-16, 05:08 authored by Ali Eltareb, Bibi Khan, Gustavo Lopez, Nicolas Giovambattista
In the supplementary information, we include additional results from PIMD and classical MD simulations using the q-TIP4P/F model where we show the (i) density maxima of ice Ih at different pressures, (ii) compare the OO RDF of IA obtained using a cooling pressure of 100 MPa with MDA, (iii) discuss the local order metric (⟨dfs⟩) of ice Ih and amorphous ices obtained from isobaric cooling, and (iv) show the LDA-to-HDA and ice Ih-to-HDA compression/decompression cycles obtained at different temperatures.

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