The elastic constants of ice VIII and ice X phases under pressure have been determined at static 0 K conditions using first principles calculation. A step-like increase of the elastic constants of ice VIII phase occurred at 100-110 GPa due to hydrogen bond symmetrization. The elastic constants, and the pressure dependencies of these constants, of ice X and VIII are completely distinct. Due to these differences, these two phases can be distinguished on the basis of the elastic behavior. Conversely, the experimental elastic constant of C11 of ice VII gradually changes from an ice VIII like asymmetric hydrogen bond to a symmetric bond character within a wide pressure range. This finding suggests that the transition from ice VII to ice X starts around 30 GPa and completes at 110 GPa.
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Research Article| January 03 2017
First principles calculation of the elasticity of ice VIII and X
Jun Tsuchiya ;
Jun Tsuchiya, Taku Tsuchiya; First principles calculation of the elasticity of ice VIII and X. J. Chem. Phys. 7 January 2017; 146 (1): 014501. https://doi.org/10.1063/1.4973339
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