Related papers: AQUA: A Collection of H$_2$O Equations of State fo…
As a first step toward a multi-phase equation of state for dense water, we develop a temperature-dependent equation of state for dense water covering the liquid and plasma regimes and extending to the super-ionic and gas regimes. This…
Water (H$_{2}$O), in all forms, is an important constituent in planetary bodies, controlling habitability and influencing geological activity. Under conditions found in the interior of many planets, as the pressure increases, the H-bonds in…
Modeling the interior of a rocky or water-rich exoplanet is a thermodynamic closure problem: every layer's density, temperature gradient, and phase must follow from an equation of state (EoS) that remains self-consistent across the…
Recently there has been tremendous increase in the number of identified extra-solar planetary systems. Our understanding of their formation is tied to exoplanet internal structure models, which rely upon equations of state of light elements…
For most planets in the range of radii from 1 to 4 R$_{\oplus}$, water is a major component of the interior composition. At high pressure H${}_{2}$O can be solid, but for larger planets, like Neptune, the temperature can be too high for…
The equation of state of hydrogen, helium, and water effects interior structure models of giant planets significantly. We present a new equation of state data table, LM-REOS, generated by large scale quantum molecular dynamics simulations…
Although carbon monoxide (CO) is an abundant molecule and may have great importance for planetary interiors, measurements of its properties are difficult due to its extreme volatility. We calculate the equation of state for CO over a range…
The Linear Mixing Approximation (LMA) is often used in planetary models for calculating the equations of state (EoSs) of mixtures. A commonly assumed planetary composition is a mixture of rock and water. Here we assess the accuracy of the…
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…
Modeling the interior of a planet is difficult because the small number of measured parameters is insufficient to constrain the many variables involved in describing the interior structure and composition. One solution is to invoke…
Based on the earlier obtained equations of state for the ternary systems H2O-CO2-CaCl2 and H2O-CO2-NaCl, an equation of state for the four-component fluid system H2O-CO2-NaCl-CaCl2 is derived in terms of the Gibbs excess free energy. A…
Impacts between planetary-sized bodies can explain the origin of satellites orbiting large ($R>500$~km) trans-Neptunian objects. Their water rich composition, along with the complex phase diagram of water, make it important to accurately…
Water and hydrogen at high pressure make up a substantial fraction of the interiors of giant planets. Using ab initio random structure search methods we investigate the ground-state crystal structures of water, hydrogen, and hydrogen-oxygen…
Many planets in the solar system and across the galaxy have hydrogen-rich atmospheres overlying more heavy element-rich interiors with which they interact for billions of years. Atmosphere-interior interactions are thus crucial to…
We present a new equation of state (EOS) for dense hydrogen/helium mixtures which covers a range of densities from $10^{-8}$ to $10^6$ g.cm$^{-3}$, pressures from $10^{-9}$ to $10^{13}$ GPa and temperatures from $10^{2}$ to $10^{8}$ K. The…
Many atmospheres (cool stars, brown dwarfs, giant planets, extrasolar planets) are predominately composed of molecular hydrogen and helium. H$_2{}^{16}$O is one of the best measured molecules in extrasolar planetary atmospheres to date and…
Various condensed phases of water, spanning from the liquid state to multiple ice phases, have been systematically investigated under extreme conditions of pressure and temperature to delineate their stability boundaries. This study focuses…
This report describes a new equation of state (EOS) for helium. The PANDA code was used to construct separate EOS tables for the solid and fluid phases. The solid and fluid EOS were then assembled into a multiphase EOS table using the PANDA…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
A general equation of state for the hard-body reference system of real fluid has been developed from first principles, statistical mechanical arguments using metric differential geometry to describe the "available volume," V0, and its…