The XtalOpt evolutionary algorithm for crystal structure prediction

Z Falls, P Avery, X Wang, KP Hilleke… - The Journal of Physical …, 2020 - ACS Publications
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 …

Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors

S Pan, T Huang, A Vazan, Z Liang, C Liu… - Nature …, 2023 - nature.com
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 …

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 …

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 …

Internal water storage capacity of terrestrial planets and the effect of hydration on the MR relation

O Shah, Y Alibert, R Helled, K Mezger - Astronomy & Astrophysics, 2021 - aanda.org
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 …

Seismic evidence for water transport out of the mantle transition zone beneath the European Alps

Z Liu, J Park, S Karato - Earth and Planetary Science Letters, 2018 - Elsevier
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 …

[HTML][HTML] Stability and physical properties of brucite at high pressures and temperatures: Implication for Earth's deep water cycle

N Sun, X Li, L Li, Q Zhang, Y Yu, Z Mao, C Zhou… - Geoscience …, 2025 - Elsevier
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 …

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 …

Ab initio study of the stability and elasticity of brucite

H Wang, C Luo, RM Wentzcovitch - Physical Review B, 2024 - APS
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 …

Mantle dynamics of the Andean Subduction Zone from continent-scale teleseismic S-wave tomography

EE Rodríguez, DE Portner, SL Beck… - Geophysical Journal …, 2021 - academic.oup.com
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 …