9:15 AM - 9:45 AM
[SIT27-02] Structures and properties of liquids in the deep Earth
Keywords:Liquids in the Deep Earth, Computer Simulation, Structure, Property
On the theoretical side, the crystal structure prediction methods using high-performance computers have made great achievements in material sciences under extreme conditions such as earth science, super-hard materials and high-temperature superconductivity [1, 2]. Since the method is based on the periodic system at absolute zero temperature, many difficulties related to the dynamics and the size effects arise when it is extended to aperiodic systems such as liquids and amorphous solids under high temperature and high pressure. Nonetheless the remarkable improvement of hardware capabilities and invention of new algorithms in the scope of the post-post-K computers will promote discoveries of new physics in such liquids. I will review several examples of such efforts related to the size effect and the nano-heterogeneity [1, 2].
 Reviews—Study of Extreme Condition with K Computer—, The Review of High Pressure Science and Technology 27 (2017).
 Post-K Exploratory Challenge, Frontiers of Basic Science,
Sub-Challenge C: Structure and Properties of Materials in Deep Earth and Planets