相关论文: TEA: A Code for Calculating Thermochemical Equilib…
An Equation of State (\textit{EoS}) closes the set of fluid equations. Although an ideal EoS with a constant \textit{adiabatic index} $\Gamma$ is the preferred choice due to its simplistic implementation, many astrophysical fluid…
A new mathematical model for non-equilibrium evaporation/condensation including boiling effect is proposed. A simplified differential-algebraic system of equations is obtained. A code to solve numerically this differential-algebraic system…
Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free…
We investigate the discrepancy between oxygen abundance estimations for narrow-line regions (NLRs) of Active Galactic Nuclei (AGNs) type Seyfert 2 derived by using direct estimations of the electron temperature (Te-method) and those derived…
Computing equilibrium concentrations of molecular complexes is generally analytically intractable and requires numerical approaches. In this work we focus on the polymer-monomer level, where indivisible molecules (monomers) combine to form…
Results from high-resolution spectral analyses of a selected sample of CH stars are presented. Detailed chemical composition studies of these objects, which could reveal abundance patterns that in turn provide information regarding…
The source of hot gas in elliptical galaxies is thought to be due to stellar mass loss, with contributions from supernova events and possibly from infall from a surrounding environment. This picture predicts supersolar values for the…
We provide an explicit analytical calculation that shows the asymptotic approach of the one dimensional Caldeira-Leggett model to thermal equilibrium in the high temperature and weak coupling limit. We investigate a free particle and a…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…
Strongly interacting systems can be described in terms of correlation functions at various orders. A quantum analog of high-order correlations is the topological entanglement in topologically ordered states of matter at zero temperature,…
Thermal emission spectra of exoplanets provide constraints on the chemical compositions, pressure-temperature (P-T) profiles, and energy transport in exoplanetary atmospheres. Accurate inferences of these properties rely on the robustness…
The zero-presssure zero-temperature equilibrium volume and bulk modulus are calculated for fcc Th and Pu by two independent all-electron, full-potential, electronic-structure methods: the full-potential linear augmented-plane-wave (FLAPW)…
In this paper we develop a generalized formalism for equilibrium thermodynamic systems when an information is shared between the system and the reservoir. The information results in a correction to the entropy of the system. This extension…
Gaia Data Release 1 allows to recalibrate standard candles such as the Red Clump stars. To use those, they first need to be accurately characterised. In particular, colours are needed to derive the interstellar extinction. As no filter is…
Large Gaia data set shows substantial misfit between models and observation for cool white dwarfs with $T_{\rm eff}<6000\,\rm K$, resulting in severe underestimation of masses of these stars. We aim to understand the underlying modelling…
Exoplanet atmospheric retrieval is a computational technique widely used to infer properties of planetary atmospheres from remote spectroscopic observations. Retrieval codes typically employ Bayesian sampling algorithms or machine learning…
The equations of Lagrangian gas dynamics fall into the larger class of overdetermined hyperbolic and thermodynamically compatible (HTC) systems of partial differential equations. They satisfy an entropy inequality (second principle of…
One of the high-level goals of Galactic archaeology is chemical tagging of stars across the Milky Way to piece together its assembly history. For this to work, stars born together must be uniquely chemically homogeneous. Wide binary systems…
The orbits, atmospheric parameters, chemical abundances, and ages of individual stars in the Milky Way provide the most comprehensive illustration of galaxy formation available. The Tycho-Gaia Astrometric Solution (TGAS) will deliver…
Based on the view that thermal equilibrium should be characterized through macroscopic observations, we develop a general theory about typicality of thermal equilibrium and the approach to thermal equilibrium in macroscopic quantum systems.…