相关论文: TEA: A Code for Calculating Thermochemical Equilib…
High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combinatorially large variety of compositions and a complex…
In modeling the interior of cells by simulating a reaction-diffusion master equation over a grid of compartments, one employs the assumption that the copy numbers of various chemical species are small, discrete quantities. We show that in…
Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during inertial confinement fusion. In the right context,…
Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this work, we develop a method in which Bayesian inference is…
To constrain the recipes put forth to solve the theoretical Fe discrepancy in the hot interstellar medium of elliptical galaxies and at the same time explain the [alpha/Fe] ratios. In order to do so we use the latest theoretical…
Partial equilibrium approximation (PEA) and quasi-steady-state approximation (QSSA) are two classical methods for reducing complex macroscopic chemical reactions into simple computable ones. Previous studies mainly focus on the accuracy of…
We study thermal and chemical equilibration in 'infinite' hadron matter as well as in finite size relativistic nucleus-nucleus collisions using a BUU cascade transport model with resonance and string degrees-of-freedom. The 'infinite'…
We revisit the classic thermodynamic problem of maximum work extraction from two arbitrary sized hot and cold reservoirs, modelled as perfect gases. Assuming ignorance about the extent to which the process has advanced, which implies an…
Thermochemical models have been used in the past to constrain the deep oxygen abundance in the gas and ice giant planets from tropospheric CO spectroscopic measurements. Knowing the oxygen abundance of these planets is a key to better…
With the advent of large spectroscopic surveys the amount of high quality chemo-dynamical data in the Milky Way (MW) increased tremendously. Accurately and correctly capturing and explaining the detailed features in the high-quality…
New strategy is presented to optimize the performance of Thermoelectric (TE) coolers. This approach breaks optimizing TE coolers free from traditional methods of controlling temperature or engineering materials and the structural properties…
With the launch of the James Webb Space Telescope, we are firmly in the era of exoplanet atmosphere characterization. Understanding exoplanet spectra requires atmospheric chemical and climate models that span the diversity of planetary…
We have compared the oxygen and nitrogen abundances derived from global emission-line SDSS spectra of galaxies using (1) the Te method and (2) two recent strong line calibrations: the ON and NS calibrations. Using the Te method, anomously…
We propose a methodology to perform a self-consistent analysis of the physical properties of the emitting gas of HII galaxies adequate to the data that can be obtained with the XXI century technology. This methodology requires the…
Cosmological N-body hydrodynamic computations following atomic and molecular chemistry (e$^-$, H, H$^+$, H$^-$, He, He$^+$, He$^{++}$, D, D$^+$, H$_2$, H$_2^+$, HD, HeH$^+$), gas cooling, star formation and production of heavy elements (C,…
The mixing of two different gases is one of the most common natural phenomena, with applications ranging from CO$_2$ capture to water purification. Traditionally, mixing is analyzed in the context of local thermal equilibrium, where systems…
The origin of the abundance discrepancy is one of the key problems in the physics of photoionized nebula. In this work, we analize and discuss data for a sample of Galactic and extragalactic HII regions where this abundance discrepancy has…
Using normalizing flows and reweighting, Boltzmann Generators enable equilibrium sampling from a Boltzmann distribution, defined by an energy function and thermodynamic state. In this work, we introduce Thermodynamic Interpolation (TI),…
We present equivalent widths, improved model atmosphere parameters, and revised abundances for 14 species of 11 elements derived from high resolution optical spectroscopy of 311 metal-poor stars. All of these stars had their parameters…
According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system…