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Two first-principles simulation techniques, path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD), are applied to study hot, dense helium in the density-temperature range of 0.387 - 5.35 g/cc and 500 K -…
The equation of state and the shock Hugoniot of deuterium are calculated using a first-principles approach, for the conditions of the recent shock experiments. We use density functional theory within a classical mapping of the quantum…
Path integral Monte Carlo simulations have been used to study deuterium at high pressure and temperature. The equation of state has been derived in the temperature and density region of 10000 < T < 1000000 K and 0.6 < rho < 2.5 gcm-3. A…
Standard measures of opacity, the imaginary part of the atomic scattering factor $f_2$ and the x-ray mass attenuation coefficient $\mu/\rho$, are evaluated in shock-heated boron, boron carbide and boron nitride plasmas. The Hugoniot…
We present estimates of the critical properties, thermodynamic functions, and principal shock Hugoniot of hot dense aluminum fluid as predicted from a chemical model for the equation-of-state of hot dense, partially ionized and partially…
Accurately modeling dense plasmas over wide ranging conditions of pressure and temperature is a grand challenge critically important to our understanding of stellar and planetary physics as well as inertial confinement fusion. In this work,…
A systematic study of the Hugoniot equation of state, phase transition, and the other thermodynamic properties including the Hugoniot temperature, the electronic and ionic heat capacities, and the Gr\"{u}neisen parameter for…
We study the thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations. New results are presented for the pair distribution functions, the equation of state, the Hugoniot curve, and the reflectivity. We…
At low densities the standard ionisation history of the intergalactic medium (IGM) predicts a decreasing temperature of the IGM with decreasing density once hydrogen (and helium) reionisation is complete. Heating the high-redshift,…
In this study, we examine thermal conductivity and the thermal Hall effect in electron-ion plasmas relevant to hot neutron stars, white dwarfs, and binary neutron star mergers, focusing on densities found in the outer crusts of neutron…
The transition density $\rho_{t}$ and pressure $P_{t}$ at the inner edge separating the liquid core from the solid crust of neutron stars are systematically studied using a modified Gogny (MDI) and 47 popular Skyrme interactions within well…
The composition of the lower mantle can be investigated by examining densities and seismic velocities of compositional models as functions of depth. In order to do this it is necessary to know the volumes and thermoelastic properties of the…
We present a semi-analytical free-energy model aimed at characterizing the thermodynamic properties of dense fluid helium, from the low-density atomic phase to the high-density fully ionized regime. The model is based on a free-energy…
Quantum molecular dynamic (QMD) simulations are introduced to study the thermophysical properties of liquid deuterium under shock compression. The principal Hugoniot is determined from the equation of states, where contributions from…
We consider the deconvolution of the thermal and the turbulent profiles for a pair of ions with different atomic weights under the condition that the lines are formed in an absorbing medium with fluctuating density and velocity fields. Our…
Using density functional theory molecular dynamics simulations, we predict shock Hugoniot curves of precompressed methane up to 75000 K for initial densities ranging from 0.35 to 0.70 g/cc. At 4000 K, we observe the transformation into a…
We examine the temperature structure of the intergalactic medium IGM) surounding a hard radiation source, such as a Quasi-Stellar Object (QSO), as it responds to the onset of helium reionization by the source. We model the reionization…
Several important geophysical features such as heat flux at the Core-Mantle Boundary or geodynamo production are intimately related with the temperature profile in the Earth's core. However, measuring the melting curve of iron at conditions…
{\em Ab initio} techniques based on density functional theory in the projector-augmented-wave implementation are used to calculate the free energy and a range of other thermodynamic properties of liquid iron at high pressures and…
The thermal equation of states for fcc iridium (Ir) is obtained from first-principles molecular dynamics up to 3000 K and 540 GPa. The equation of state (EoS) is globally fitted to a simplified free energy model and various parameters are…