相关论文: VULCAN: an Open-Source, Validated Chemical Kinetic…
Little is known about the interaction between atmospheres and crusts of exoplanets so far, but future space missions and ground-based instruments are expected to detect molecular features in the spectra of hot rocky exoplanets. We aim to…
We are entering the era of high-precision and high-resolution spectroscopy of exoplanets. Such observations herald the need for robust self-consistent spectral models of exoplanetary atmospheres to investigate intricate atmospheric…
We investigate the impact on convective numerical simulations of thermo-compositional diabatic processes. We focus our study on simulations with a stabilizing temperature gradient and a destabilizing mean-molecular weight gradient. We aim…
We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the…
The development of molecular complexity during stellar and planetary formation owes much to the interaction of gas and dust. When the first astrochemical models including solid-state chemistry were developed more than forty years ago, data…
A new fluid-dynamic model is developed to numerically simulate the non-equilibrium dynamics of polydisperse gas-particle mixtures forming volcanic plumes. Starting from the three-dimensional N-phase Eulerian transport equations for a…
Silicate vapors play a key role in planetary evolution, especially dominating early stages of rocky planet formation through outgassed magma ocean atmospheres. Our open-source thermodynamic modeling software "VapoRock" combines the MELTS…
The upper atmospheres of Mars and Titan, as well as those on many other planetary bodies, exhibit significant density variations vs. altitude that are interpreted as gravity waves. Such data is then used to extract vertical temperature…
Chemical disequilibrium has recently become a relevant topic in the study of the atmospheres of of transiting extrasolar planets, brown dwarfs, and directly imaged exoplanets. We present a new way of assessing whether or not a Jovian-like…
We have developed a time-dependent, multi-energy-group, and multi-angle (S$_n$) Boltzmann transport scheme for radiation hydrodynamics simulations, in one and two spatial dimensions. The implicit transport is coupled to both 1D…
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…
This paper establishes a data-driven modeling framework for lean Hydrogen (H2)-air reaction rates for the Large Eddy Simulation (LES) of turbulent reactive flows. This is particularly challenging since H2 molecules diffuse much faster than…
Convective processes are crucial in shaping exoplanetary atmospheres but are computationally expensive to simulate directly. A novel technique of simulating moist convection on tidally locked exoplanets is to use a global 3D model with a…
Atmospheric chemistry models have shown molecular oxygen can build up in CO2-dominated atmospheres on potentially habitable exoplanets without an input of life. Existing models typically assume a surface pressure of 1 bar. Here we present…
Tidally locked terrestrial planets around low-mass stars are the prime targets of finding potentially habitable exoplanets. Several atmospheric general circulation models have been employed to simulate their possible climates, however,…
The potential of prebiotic chemistry to propagate on an exoplanet fundamentally depends on whether the atmospheric conditions can facilitate the production of prebiotic feedstock molecules. Photochemical simulations of exoplanet atmospheres…
In this work we study the effect of disequilibrium processes on mixing ratio profiles of neutral species and on the simulated spectra of a hot Jupiter exoplanet that orbits stars of different spectral types. We also address the impact of…
Intense X-ray and ultraviolet stellar irradiation can heat and inflate the atmospheres of closely orbiting exoplanets, driving mass outflows that may be significant enough to evaporate a sizable fraction of the planet atmosphere over the…
Recent work of M.D. Johnston et al. has produced sufficient conditions on the structure of a chemical reaction network which guarantee that the corresponding discrete state space system exhibits an extinction event. The conditions consist…
With the advent of JWST and spectroscopic characterization of exoplanet atmospheres with unprecedented detail, there is a demand for a more complete picture of chemical and photochemical reactions and their impact on atmospheric…