Related papers: Noble gases in carbonate melts: constraints on the…
The test particle method has been used in conjunction with molecular dynamics simulations to evaluate the solubility of noble gases in silicate melts of various compositions. At low pressure the calculated solubility constants (the inverse…
The objective of this study is to use molecular dynamics simulation (MD) to evaluate the vesicularity and noble gas fractionation, and to shed light on bubble formation during MORB degassing. A previous simulation study (Guillot and Sator…
Metallic hydrogen dominates the deep interiors of giant planets, where trace elements interact with dense quantum matter under extreme pressure. We investigate the thermodynamic stability of noble-gas impurities (He, Ne, Ar, Kr, Xe) in…
The distribution, recycling and storage of carbon in the Earth are of fundamental importance to understand the global carbon cycle between the deep Earth and near surface reservoirs. Degassing of CO2 at mid-ocean ridges may give information…
Rocky planet atmospheres form and evolve through interactions between the planet's surface and interior. If a growing rocky planet acquires enough mass prior to the dissipation of the nebular gas disk, it can gravitationally capture a…
Using ab initio molecular dynamics simulations, we calculate the physical properties of MgO at conditions extending from the ones encountered in the Earth mantle up to the ones anticipated in giant planet interiors such as Jupiter. We pay…
Pre-solar meteoritic nanodiamond grains carry an array of isotopically distinct noble gas components and provide information on the history of nucleosynthesis, galactic mixing and the formation of the Solar system. In this paper, we develop…
We use a statistical-thermodynamic model to investigate the formation and composition of noble-gas-rich clathrates on Pluto's surface. By considering an atmospheric composition close to that of today's Pluto and a broad range of surface…
Carbon monoxide and nitrogen are among the potentially interesting high-energy density materials. However, in spite of the physical similarities of the molecules, they behave very differently at high pressures. Using density functional…
A quantitative understanding of the nature and composition of low-mass rocky (exo)planet atmospheres during their evolution is needed to interpret observations. The magma ocean stage of terrestrial- and sub-Neptune planets permits mass…
The James Webb Space Telescope is characterising the atmospheres of sub-Neptunes. The presence of magma oceans on sub-Neptunes is expected to strongly alter the chemistry of their envelopes and observable atmospheres. At the magma…
Owing to fully occupied orbitals, noble gases are considered to be chemically inert and to have limited effect on materials properties under standard conditions. However, using first-principles calculations, we demonstrate herein that the…
We investigate the effect of pressure, temperature and acidity on the composition of water-rich carbon-bearing fluids at thermodynamic conditions that correspond to the Earth's deep Crust and Upper Mantle. Our first-principles molecular…
Many sub-Neptune exoplanets have been believed to be composed of a thick hydrogen-dominated atmosphere and a high-temperature heavier-element-dominant core. From an assumption that there is no chemical reaction between hydrogen and…
The evolution of the atmospheric noble gas composition during the past few decades has hardly been studied because, in contrast to many other atmospheric gases, systematic time-series measurements have not been available. Based on…
The stability, structure and properties of carbonate minerals at lower mantle conditions has significant impact on our understanding of the global carbon cycle and the composition of the interior of the Earth. In recent years, there has…
The bulk chemical compositions of planets are uncertain, even for major elements such as Mg and Si. This is due to the fact that the samples available for study all originate from relatively shallow depths. Comparison of the stable isotope…
Atomistic simulations provide a meaningful way to determine the physico-chemical properties of liquids in a consistent theoretical framework. This approach takes on particular usefulness for the study of molten carbonates, in a context…
A comprehensive exploration of Uranus and Neptune is essential to understand the formation and evolution of the giant planets, in particular, solar system, in general, and, by extension, a vast population of exoplanets. Though core…
Volatile molecules containing hydrogen, carbon, and nitrogen are key components of planetary atmospheres. In the pebble accretion model for rocky planet formation, these volatile species are accreted during the main planetary formation…