Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Local-Basis-Function Equation of State for Ice VII-X to 450 GPa at 300 K

Version 1 : Received: 9 December 2019 / Approved: 11 December 2019 / Online: 11 December 2019 (04:23:16 CET)

A peer-reviewed article of this Preprint also exists.

Brown, J.M.; Journaux, B. Local-Basis-Function Equation of State for Ice VII–X to 450 GPa at 300 K. Minerals 2020, 10, 92. Brown, J.M.; Journaux, B. Local-Basis-Function Equation of State for Ice VII–X to 450 GPa at 300 K. Minerals 2020, 10, 92.


Helmholtz energy of ice VII-X is determined in a pressure regime extending to 450 GPa at 300 K using local basis functions in the form of b splines. The new representation for the equation of state is embedded in a physics-based inverse theory framework of parameter estimation. Selected pressures as a function of volume from 14 prior experimental studies and two theoretical studies constrain the behavior of Helmholtz energy. Separately measured bulk moduli, not used to construct the representation, are accurately replicated below about 20 GPa and above 60 GPa. In the intermediate range of pressure, the experimentally determined moduli are larger and have greater scatter than values predicted using the Helmholtz representation. Although systematic experimental error in the experimental elastic moduli is possible and likely, the alternative hypothesis is a slow relaxation time associated with changes in proton mobility or the ice VII to X transition. A correlation is observed between anomalies in the pressure derivative of the predicted bulk modulus and previously suggested higher-order phase transitions. Improved determinations of elastic properties at high pressure would allow refinement of the current equation of state. More generally, the current method of data assimilation is broadly applicable to other materials in high-pressure studies.


equation of state; Helmholtz energy; phase transition; Ice VII; Ice X; NaCl; exoplanets; icy/ocean worlds; local basis function; b spline; Tikhonov Inverse


Physical Sciences, Condensed Matter Physics

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