Probing ice VII crystallization from amorphous NaCl-D2O solutions at gigapascal pressures

We probe the possible inclusion of salt (NaCl) in the ice VII lattice over the pressure range from 2 to 4 gigapascal. We combine data from neutron diffraction experiments under pressure and from computational structure searches based on density functional theory. We observe that the high density amo...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2017, Vol.19 (3), p.1875-1883
Hauptverfasser:	Ludl, A-A, Bove, L E, Corradini, D, Saitta, A M, Salanne, M, Bull, C L, Klotz, S
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer simulation Crystallization Density functional theory Lattice parameters Lattices Neutron diffraction Phase boundaries Precursors
Online-Zugang:	Volltext
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