Tsuneyuki Research Group


"First-principles calculations of hydrous mineral under high pressure"

AlOOH Using a first principles method, we have investigated the crystal structure of a new high-pressure phase of AlOOH ( δ-phase ). It is an important substance in subducting sedimentary rocks, and could possibly serve as a water reservoir in Earth's lower mantle. We found that the elasticity of δ-AlOOH is essencially related to the nature of hydrogen bond. Our studies pointed out that this plays a crucial role for determining bulk modulus and elastic properties which involve the rheology of lower mantle.

[1] J. Tsuchiya, T. Tsuchiya, S. Tsuneyuki, and T. Yamanaka, "First principles calculation of a high-pressure hydrous phase, δ-AlOOH", Geophysical Research Letters, 2002GL015417 (2002)

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