相关论文: Physical properties of MgO at deep planetary condi…
MgO is an abundant mineral in the rocky mantle of terrestrial planets, but its melting behaviors remain enigmatic. Here we introduce a simple theoretical model to investigate the B1-liquid transition of MgO up to 370 GPa. Vibrational free…
The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent collision. We examine the high pressure behavior of MgO, one of…
First principles calculations based on density functional theory, both with the local density approximation (LDA) and with generalised gradient corrections (GGA), and the projector augmented wave method, have been used to simulate solid and…
The accretion of a terrestrial body and differentiation of its silicate/oxide mantle from iron core provide abundant energy for heating its interior to temperatures much higher than the present day Earth. The consequences of differentiation…
Rocky planets are thought to comprise compounds of Mg and O as these are among the most abundant elements, but knowledge of their stable phases may be incomplete. MgO is known to be remarkably stable to very high pressure and chemically…
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…
We study water-hydrogen mixtures under planetary interior conditions using ab initio molecular dynamics simulations. We determine the thermodynamic properties of various water-hydrogen mixing ratios at temperatures of 2000 and 6000 K for…
We present globally inverted pressure-temperature (P-T) phase diagrams up to 5,000 GPa for four fundamental planetary materials, Fe, MgO, SiO2, and MgSiO3, derived from logistic regression and supervised learning, together with an…
The melting curve for MgO was obtained using molecular dynamics and a non-empirical, many-body potential. We also studied premelting effects by computing the dynamical structure factor in the crystal on approach to melting. The melting…
Studies of the behaviour of solids at ultra-high pressures, those beyond 200 GPa, contribute to our fundamental understanding of materials properties and allow an insight into the processes happening at such extreme conditions relevant for…
The present study takes the CoRoT-7b exoplanet as an analogue for massive terrestrial planets to investigate conditions, under which intrinsic magnetic fields could be sustained in liquid cores. We examine the effect of depth-dependent…
Exoplanets with masses similar to that of Earth have recently been discovered in extrasolar systems. A first order question for understanding their dynamics is to know whether they possess Earth like liquid metallic cores. However, the iron…
This article provides an overview of how models of giant planet interiors are constructed. We review measurements from past space missions that provide constraints for the interior structure of Jupiter. We discuss typical three-layer…
The core accretion model for giant planet formation suggests a two layer picture for the initial structure of Jovian planets, with heavy elements in a dense core and a thick H-He envelope. Late planetesimal accretion and core erosion could…
The free energies of vacancy pair formation and migration in MgO were computed via molecular dynamics using free-energy integrations and a non-empirical ionic model with no adjustable parameters. The intrinsic diffusion constant for MgO was…
We used {\sl \textup{ab initio}} molecular dynamics simulations to calculate the high-pressure melting temperatures of the three potential core components. The planetary adiabats were obtained by solving the hydrostatic equations in a…
Cool gas giant exoplanets, particularly those with properties similar to those of Jupiter and Saturn, remain poorly characterized due to current observational limitations. This white paper outlines the transformative science case for the…
Physical conditions deep within planets and exoplanets have yet to be measured directly, but indirect methods can calculate them. The polytropic models are one possible solution to this problem. In the present paper, we assume that the…
We provide estimates of atmospheric pressure and surface composition on short-period rocky exoplanets with dayside magma pools and silicate vapor atmospheres. Atmospheric pressure tends toward vapor-pressure equilibrium with surface magma,…
The thermodynamic behavior of calcium oxide (\ce{CaO}) under high temperature and pressure conditions is critical for understanding the physics of planetary interiors. This study employs molecular dynamics (MD) simulations, including both…