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High energy-density water: density functional theory calculations of structure and electrical conductivity
[report]
2006
unpublished
Knowledge of the properties of water is essential for correctly describing the physics of shock waves in water as well as the behavior of giant planets. By using finite temperature density functional theory (DFT), we have investigated the structure and electronic conductivity of water across three phase transitions (molecular liquid/ ionic liquid/ super-ionic/ electronic liquid). There is a rapid transition to ionic conduction at 2000 K and 2 g/cm 3 while electronic conduction dominates at
doi:10.2172/902882
fatcat:t3bpgscilnak7osqwizcn63zg4