Phase transition and superionization of ice under electric and pressure fields
Phys. Rev. B 114, 084101 – Published 3 August, 2026
DOI: https://doi.org/10.1103/wrk2-qfrj
Abstract
The phase transition of ice under temperature and pressure fields attracts a great deal of attention from scientific research. However, there are many research gaps on more multiple extreme fields on ice phase transition. Here, using nonequilibrium ab initio molecular dynamics (AIMD), we systematically studied the effects of electric field, pressure, and temperature acting on the ice, and discussed the phase transition reduced by the combination of these extreme fields. Specifically, a phase, absent in zero electric field and named ice VIII′ in this paper, is discovered by applying an electric field to ice VIII, ice VII, and ice X, with high a possibility to be obtained in the laboratory. Later when the electric field further strengthens, superionization occurs as a unidirectional electrical breakdown with detailed analysis of the electric field intensity and ionic conductivity at these extreme multiple fields.