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Superionic hydrogen was previously thought to be an exotic state predicted and confirmed only in pure H2O ice. In Earths deep interior, H2O exists in the form of O-H groups in ultra-dense hydrous minerals, which have been proved to be stable even at the conditions of the core-mantle boundary (CMB). However, the superionic states of these hydrous minerals at high P-T have not been investigated. Using first-principles calculations, we found that pyrite structured FeO2Hx (0 <= x <= 1) and d-AlOOH, which have been proposed to be major hydrogen-bearing phases in the deep lower mantle (DLM), contain superionic hydrogen at high P-T conditions. Our observations indicate a universal pathway of the hydroxyl O-H at low pressure transforming to symmetrical O-H-O bonding at high-P low-T, and a superionic state at high-P high-T. The superionicity of hydrous minerals has a major impact on the electrical conductivity and hydrogen transportation behaviors of Earths lower mantle as well as the CMB.
Silica, water and hydrogen are known to be the major components of celestial bodies, and have significant influence on the formation and evolution of giant planets, such as Uranus and Neptune. Thus, it is of fundamental importance to investigate thei
The deepest hole that has ever been dug is about 12 km deep. Geochemists analyze samples from the Earths crust and from the top of the mantle. Seismology can reconstruct the density profile throughout all Earth, but not its composition. In this respe
Using direct atomic simulations, the vibration scattering time scales are characterized, and then the nature and the quantitative weight of thermal excitations are investigated in an example system Li2S from its amorphous solid state to its partial-s
Water is abundant in natural environments but the form it resides in planetary interiors remains uncertain. We report combined synchrotron X-ray diffraction and optical spectroscopy measurements of H2O in the laser-heated diamond anvil cell up to 150
Iron-bearing oxides undergo a series of pressure-induced electronic, spin and structural transitions that can cause seismic anomalies and dynamic instabilities in Earths mantle and outer core. We employ x-ray diffraction and x-ray emission spectrosco