[P-PS07] Planetary Sciences

[PPS07-12] First principles investigations of the elasticity of high-pressure ice phases

*Jun Tsuchiya¹, Motoyuki Shiga², Shinji Tsuneyuki³ (1.Geodynamics Research Center, Ehime University, 2.Japan Atomic Energy Agency, 3.Graduate School of Science, The University of Tokyo)

Keywords:ab initio calculation, high pressure, ice

Knowing the structure, physical properties, and phase relations of high-pressure H₂O ice phase is important for physical, geophysical and planetary sciences. Hydrogen bonded molecular phases ice VIII and ice VII have known to transform to an atomic crystal phase ice X by the hydrogen bond symmetrization under pressure. However, the hydrogen dynamics at the transition has not been fully understood so far. In this presentation, we present the molecular dynamics simulation of the high pressure phases, ice VII and X at finite temperature under pressure from 0 to 100 GPa.