相关论文: First-Principles Equation of State Database for Wa…
Recent laser-shock experiments on an H--He mixture containing 11~$\%$ helium (atomic fraction) have suggested the presence of an immiscibility region inside Jupiter. Reflectivity measurements were used as the primary diagnostic of H--He…
We report a new equation of state (EoS) of cold and hot hyperonic matter constructed in the framework of the quark-meson-coupling (QMC-A) model. The QMC-A EoS yields results compatible with available nuclear physics constraints and…
We present sets of equation of state (EOS) of nuclear matter including hyperons using an SU_f(3) extended relativistic mean field (RMF) model with a wide coverage of density, temperature, and charge fraction for numerical simulations of…
An 11-species thermochemical model for H$_2$/ He mixtures with state-specific kinetics for atomic H is developed and used to simulate 1-D shocks at conditions relevant for ice and gas giant entry flows. To implement this kinetic model, a…
We compute a new equation of state table including Bose-Einstein condensate of $K^{-}$ mesons for core collapse supernova and neutron star merger simulations. Nuclei and interacting nucleons in non-uniform matter is described in an extended…
We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region.…
Quantum molecular dynamic simulations are introduced to study the dynamical, electrical, and optical properties of carbon dioxide under dynamic compressions. The principal Hugoniot derived from the calculated equation of states is…
An anisotropic equation of state (EOS) is proposed for the accurate extrapolation of high-pressure shock Hugoniot (anisotropic and isotropic) states to other thermodynamic (anisotropic and isotropic) states for a shocked carbon-fibre epoxy…
The FSU2H equation-of-state model, originally developed to describe cold neutron star matter with hyperonic cores, is extended to finite temperature. Results are presented for a wide range of temperatures and lepton fractions, which cover…
We investigate the equation of state and elastic properties of nonmagnetic hcp iron at high pressures and high temperatures using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient…
Recent path-integral Monte Carlo and quantum molecular dynamics simulations have shown that computationally efficient average-atom models can predict thermodynamic states in warm dense matter to within a few percent. One such…
Density Functional Theory calculations using the quasi-harmonic approximation have been used to calculate the solid Hugoniot of two polytypes of boron carbide up to 100 GPa. Under the assumption that segregation into the elemental phases…
We have performed quantum molecular dynamic simulations for warm dense polystyrene at high pressures. The principal Hugoniot up to 790 GPa is derived from wide range equation of states, where contributions from atomic ionizations are…
We present a generally-applicable computational framework for the efficient and accurate characterization of molecular structural patterns and acid properties in explicit solvent using H$_2$O$_2$ and CH$_3$SO$_3$H in phenol as an example.…
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…
The Equation of State (EoS) of dense matter represents a central issue in the study of compact astrophysical objects and heavy ion reactions at intermediate and relativistic energies. We have derived a nuclear EoS with nucleons and hyperons…
This paper is concerned with the numerical solution of the unified first order hyperbolic formulation of continuum mechanics recently proposed by Peshkov & Romenski, denoted as HPR model. In that framework, the viscous stresses are computed…
In the present study, two-different reduced-order models are proposed for $\text{H}_2\left(\text{X}^1\Sigma_g^+\right)$+$\text{H}\left({}^2\text{S}\right)$ system by leveraging first-principle quasi-classical trajectory simulations and…
Water is one of the key chemical elements in planetary structure modelling. Due to its complex phase diagram, equations of state cover often only parts of the pressure - temperature space needed in planetary modelling. We construct an…
We calculate superconducting transition temperatures ($T_{\rm c}$) in sulfur hydrides H$_{2}$S and H$_{3}$S from first principles using the density functional theory for superconductors. At pressures of $\lesssim$150 GPa, the high values of…