相关论文: TEA: A Code for Calculating Thermochemical Equilib…
An `open' or $(\mu,P,T)$-ensemble describes equilibrium systems whose control parameters are chemical potential $\mu$, pressure $P$ and temperature $T$. Such an unconstrained ensemble is seldom used for applications to standard…
Nonlinear feedbacks in the Earth System provide mechanisms that can prove very useful in understanding complex dynamics with relatively simple concepts. For example, the temperature and the ice cover of the planet are linked in a positive…
We present a new magnetic-atmosphere model code for obtaining synthetic spectral fluxes of hydrogen-rich magnetic white dwarfs. To date, observed spectra have been analyzed with models that neglect the magnetic field's effects on the atomic…
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab initio} molecular dynamics followed by a mapping onto a model…
The nonequilibrium thermodynamics feature of a Brownian motor operating between two different heat baths is explored as a function of time $t$. Using the Gibbs entropy and Schnakenberg microscopic stochastic approach, we find exact closed…
We present new chemical abundance measurements of 16 damped Lya systems at z>1.5 and update our previous abundance analyses. The entire database presented here was derived from HIRES observations on the Keck I telescope, reduced with the…
We provide here an explicit example of Khinchin's idea that the validity of equilibrium statistical mechanics in high dimensional systems does not depend on the details of the dynamics. This point of view is supported by extensive numerical…
Two new schemes for computing molecular total atomization energies (TAEs) and/or heats of formation ($\Delta H^\circ_f$) of first-and second-row compounds to very high accuracy are presented. The more affordable scheme, W1 (Weizmann-1)…
The Apache Point Observatory Galactic Evolution Experiment (APOGEE) has built the largest moderately high-resolution (R=22, 500) spectroscopic map of the stars across the Milky Way, and including dust-obscured areas. The APOGEE Stellar…
We introduce a classical algorithm to approximate the free energy of local, translation-invariant, one-dimensional quantum systems in the thermodynamic limit of infinite chain size. While the ground state problem (i.e., the free energy at…
We analyze general convergence properties of the Taylor expansion of observables to finite chemical potential in the framework of an effective 2+1 flavor Polyakov-quark-meson model. To compute the required higher order coefficients a novel…
I will present predictions from chemical evolution model aimed at a self-consistent study of both optical (i.e. stellar) and X-ray (i.e.gas) properties of present-day elliptical galaxies. Detailed cooling and heating processes in the…
The aims of this paper are: 1) to revisit the Tc content of a sample of oxygen-rich asymptotic giant branch (AGB) variables and 2) to increase the number of such stars for which the Li abundance has been measured to provide constraints on…
High Entropy Alloys (HEAs), Multi-principal Component Alloys (MCA), or Compositionally Complex Alloys (CCAs) are alloys that contain multiple principal alloying elements. While many HEAs have been shown to have unique properties, their…
Much of what we know about molecular clouds, and by extension star formation, comes from molecular line observations. Interpreting these correctly requires knowledge of the underlying molecular abundances. Simulations of molecular clouds…
In the era of large Milky Way spectroscopic surveys, calibrating and standardizing stellar parameters and abundance measurements is crucial. The Gaia benchmark stars (GBS) are key references points characterized by well-defined parameters…
Causal discovery is a fundamental problem in statistics and has wide applications in different fields. Transfer Entropy (TE) is a important notion defined for measuring causality, which is essentially conditional Mutual Information (MI).…
Astrochemical modelling of the interstellar medium typically makes use of complex computational codes with parameters whose values can be varied. It is not always clear what the exact nature of the relationship is between these input…
The derivation of abundances in gaseous nebulae ionised by massive stars using optical collisionally excited emission lines is studied in this work comparing the direct or $T_e$ method with updated grids of photoionisation models covering a…
Analysis of emission lines in gaseous nebulae yields direct measures of physical conditions and chemical abundances and is the cornerstone of nebular astrophysics. Although the physical problem is conceptually simple, its practical…