Related papers: First-principles Equation of State and Shock Compr…
We present a study of hydrogen at pressures higher than molecular dissociation using the Coupled Electron-Ion Monte Carlo method. These calculations use the accurate Reptation Quantum Monte Carlo method to estimate the electronic energy and…
We present equation of state data of shock compressed hydrogen and deuterium. These have been calculated in the physical picture by using {\it ab initio} molecular dynamics simulations based on finite temperature density functional theory…
We propose a means for constructing highly accurate equations of state (EOS) for elemental solids and liquids essentially from first principles, based upon a particular decomposition of the underlying condensed matter Hamiltonian for the…
We investigate the physical structure and dust reprocessing in the shocks along the beam of a number of classical Herbig-Haro jets in the Orion and Lupus molecular cloud. Spectral diagnostic techniques are applied to obtain the jet physical…
We report first principle results for nuclear structure and optical responses of high pressure liquid hydrogen along two isotherms in the region of molecular dissociation. We employ Density Functional Theory with the vdW-DF approximation…
We considered the structure of steady-state radiative shock waves propagating in the partially ionized hydrogen gas with density rho1 = 1e-10 gm/cm^3 and temperature 3000K <= T1 <= 8000K. The radiative shock wave models with electron…
Molecular emission arising from the interactions of supernova remnant (SNR) shock waves and molecular clouds provide a tool for studying the dispersion and compression that might kick-start star formation as well as understanding cosmic ray…
A realistic description of partially-ionized matter in extreme thermodynamic states is critical to model the interior and evolution of the multiplicity of high-density astrophysical objects. Current predictions of its essential property,…
We calculate the hydrogen Hugoniot using ab initio path integral Monte Carlo. We introduce an efficient finite-temperature fixed-node approximation for handling fermions, which includes an optimized mixture of free particle states and…
We explore the density variation of the correlation coefficient of the key parameters of the nuclear equation of state (EoS) with the bulk and crustal properties of neutron stars. The analysis was performed using two diverse sets of nuclear…
A thermodynamic equation of state (EOS) for thermoelectrons is derived which is appropriate for investigating the thermodynamic variations along isobaric paths. By using this EOS and the Wu-Jing (W-J) model, an extended Hugoniot EOS model…
We present new equations of state (EOS) for hydrogen and helium covering a wide range of temperatures from 60 K to 10$^7$ K and densities from $10^{-10}$ g/cm$^3$ to $10^3$ g/cm$^3$. They include an extended set of ab initio EOS data for…
Numerical simulations of high energy-density experiments require equation of state (EOS) models that relate a material's thermodynamic state variables -- specifically pressure, volume/density, energy, and temperature. EOS models are…
The recent development of techniques for laser-driven shock compression of hydrogen has opened the door to the experimental determination of its behavior under conditions characteristic of stellar and planetary interiors. The new data probe…
The Hugoniot of Ni3Al with L12 structure is calculated with an equation of state (EOS) based on a cluster expansion and variation method from first principles. It is found that an order-disorder transition occurs at a shock pressure of…
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…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite…
First-principles calculations were carried out to provide a chemical basis for proposed structures associated with the recently reported room-temperature superconductivity in a carbonaceous sulfur hydride material under pressure.…
We calculate the equation of state of dense hydrogen within the chemical picture. Fluid variational theory is generalized for a multi-component system of molecules, atoms, electrons, and protons. Chemical equilibrium is supposed for the…