Evidence and Stability Field of fcc Superionic Water Ice Using Static Compression

Structural transformation of hot dense water ice is investigated by combining synchrotron x-ray diffraction and a laser-heating diamond anvil cell above 25 GPa. A transition from the body-centered-cubic (bcc) to face-centered-cubic (fcc) oxygen atoms sublattices is observed from 57 GPa and 1500 K to 166 GPa and 2500 K. That is the structural signature of the transition to fcc superionic (fcc SI) ice. The sign of the density discontinuity at the transition is obtained and a phase diagram is disclosed, showing an extended fcc SI stability field. Present data also constrain the stability field of the bcc superionic (bcc SI) ice up to 100 GPa at least. The current understanding of warm dense water ice based on ab initio simulations is discussed in the light of present data.

Automated summary

The structural transformation of hot dense water ice is investigated in this study. The transition from body-centered-cubic to face-centered-cubic oxygen atoms sublattices is observed and a phase diagram is disclosed. Additionally, the stability field of the body-centered-cubic superionic ice is constrained. The current understanding of warm dense water ice based on ab initio simulations is also discussed.