Absence of dehydration due to superionic transition at Earth's core-mantle boundary (2503.17906v1)

Abstract: The properties and stability of hydrous phases are key to unraveling the mysteries of the water cycle in Earth's interior. Under the deep lower mantle conditions, hydrous phases transition into a superionic state. However, the influence of the superionic effect on their stability and dehydration processes remains poorly understood. Using ab initio calculations and deep-learning potential molecular dynamics simulations, we discovered a doubly superionic transition in delta-AlOOH, characterized by the highly diffusive behavior of ionic hydrogen and aluminum within the oxygen sub-lattice. These highly diffusive elements contribute significant external entropy into the system, resulting in exceptional thermostability. Free energy calculations indicate that dehydration is energetically and kinetically unfavorable when water exists in a superionic state under core-mantle boundary (CMB) conditions. Consequently, water can accumulate in the deep lower mantle over Earth's history. This deep water reservoir plays a crucial role in the global deep water and hydrogen cycles.