The XtalOpt evolutionary algorithm for crystal structure prediction
Significant progress has been made in the field of a priori crystal structure prediction, with a
number of recent remarkable success stories. Herein, we briefly outline the methods that …
number of recent remarkable success stories. Herein, we briefly outline the methods that …
Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors
Abstract Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets.
Their properties, and in particular their interaction, significantly affect the planet interior …
Their properties, and in particular their interaction, significantly affect the planet interior …
Polarization of CO2 for improved CO2 adsorption by MgO and Mg (OH) 2
S Wu, BT Tan, HL Senevirathna, P Wu - Applied Surface Science, 2021 - Elsevier
Low cost MgO has an attractive theoretical CO 2 capture capacity of 1090 mg/g when it is in
equilibrium with MgCO 3, but only~ 1–10% of this predicted absorption limit is realized …
equilibrium with MgCO 3, but only~ 1–10% of this predicted absorption limit is realized …
High-temperature structural disorders stabilize hydrous aluminosilicates in the mantle transition zone
B Wang, J Liu, Y Zhang, B Nie, W Yang, J Hao… - Nature …, 2025 - nature.com
Hydrous aluminosilicates are important deep water-carriers in sediments subducting into the
deep mantle. To date, it remains enigmatic how hydrous aluminosilicates withstand …
deep mantle. To date, it remains enigmatic how hydrous aluminosilicates withstand …
Internal water storage capacity of terrestrial planets and the effect of hydration on the MR relation
Context. The discovery of low density exoplanets in the super-Earth mass regime suggests
that ocean planets could be abundant in the galaxy. Understanding the chemical …
that ocean planets could be abundant in the galaxy. Understanding the chemical …
Seismic evidence for water transport out of the mantle transition zone beneath the European Alps
The mantle transition zone has been considered a major water reservoir in the deep Earth.
Mass transfer across the transition-zone boundaries may transport water-rich minerals from …
Mass transfer across the transition-zone boundaries may transport water-rich minerals from …
[HTML][HTML] Stability and physical properties of brucite at high pressures and temperatures: Implication for Earth's deep water cycle
Brucite is a common hydrous mineral on Earth and may contribute to the deep water cycle of
the Earth, but its stability and structure under mantle conditions remain uncertain. In this …
the Earth, but its stability and structure under mantle conditions remain uncertain. In this …
High-pressure minerals
O Tschauner - American Mineralogist, 2019 - degruyter.com
This article is dedicated to the occurrence, relevance, and structure of minerals whose
formation involves high pressure. This includes minerals that occur in the interior of the Earth …
formation involves high pressure. This includes minerals that occur in the interior of the Earth …
Ab initio study of the stability and elasticity of brucite
Brucite [Mg (OH) 2] is a mineral of great interest owing to its various applications and roles in
geological processes. Its structure, behavior under different conditions, and unique …
geological processes. Its structure, behavior under different conditions, and unique …
Mantle dynamics of the Andean Subduction Zone from continent-scale teleseismic S-wave tomography
SUMMARY The Andean Subduction Zone is one of the longest continuous subduction
zones on Earth. The relative simplicity of the two-plate system has makes it an ideal natural …
zones on Earth. The relative simplicity of the two-plate system has makes it an ideal natural …