Thermophysical properties of warm dense hydrogen

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 compare with available experimental data and predictions of the chemical picture. Especially, we discuss the nonmetal-to-metal transition which occurs at about 40 GPa in the dense fluid

Practical Improvements to the Lee-More Conductivity Near the Metal-Insulator Transition

The wide-range conductivity model of Lee and More is modified to allow better agreement with recent experimental data and theories for dense plasmas in the metal-insulator transition regime. Modifications primarily include a new ionization equilibrium model, consisting of a smooth blend between single ionization Saha (with a pressure ionization correction) and the generic Thomas-Fermi ionization equilibrium, a more accurate treatment of electron-neutral collisions using a polarization potential, and an empirical modification to the minimum allowed collision time. These simple modifications to the Lee-More algorithm permit a more accurate modeling of the physics near the metal-insulator transition, while preserving the generic Lee-More results elsewhere

Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium

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. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identified at about 1 g/ccm. We compare with experimental results as well as with other theoretical approaches, especially with predictions of chemical models.Comment: 4 pages, 5 figure

MHD Modeling of Conductors at Ultra-High Current Density

In conjunction with ongoing high-current experiments on Sandia National Laboratories' Z accelerator, the authors have revisited a problem first described in detail by Heinz Knoepfel. Unlike the 1-Tesla MITLs of pulsed power accelerators used to produce intense particle beams, Z's disc transmission line (downstream of the current addition) is in a 100--1,200 Tesla regime, so its conductors cannot be modeled simply as static infinite conductivity boundaries. Using the MHD code MACH2 they have been investigating the conductor hydrodynamics, characterizing the joule heating, magnetic field diffusion, and material deformation, pressure, and velocity over a range of current densities, current rise-times, and conductor materials. Three purposes of this work are (1) to quantify power flow losses owing to ultra-high magnetic fields, (2) to model the response of VISAR diagnostic samples in various configurations on Z, and (3) to incorporate the most appropriate equation of state and conductivity models into the MHD computations. Certain features are strongly dependent on the details of the conductivity model

SANDIA REPORT High Energy-Density Water: Density Functional Theory Calculations of Structure and Electrical Conductivity High Energy-Density Water: Density Functional Theory Calculations of Structure and Electrical Conductivity

Abstract Knowledge of the properties of water is essential for correctly describing the physics of shock waves in water as well as the behavior of giant planets. By using finite temperature density functional theory (DFT), we have investigated the structure and electronic conductivity of water across three phase transitions (molecular liquid/ ionic liquid/ super-ionic/ electronic liquid). There is a rapid transition to ionic conduction at 2000 K and 2 g/cm 3 while electronic conduction dominates at temperatures above 6000 K. We predict that the fluid bordering the super-ionic phase is conducting above 4000 K and 100 GPa. Earlier work instead has the super-ionic phase bordering an insulating fluid, with a transition to metallic fluid not until 7000 K and 250 GPa. The tools and expertise developed during the project can be applied to other molecular systems, for example, methane, ammonia, and CH foam. We are now well positioned to treat also complex molecular systems in the HEDP regime of phase-space. 3 ACKNOWLEDGMENT

A silicate dynamo in the early Earth.

The Earth's magnetic field has operated for at least 3.4 billion years, yet how the ancient field was produced is still unknown. The core in the early Earth was surrounded by a molten silicate layer, a basal magma ocean that may have survived for more than one billion years. Here we use density functional theory-based molecular dynamics simulations to predict the electrical conductivity of silicate liquid at the conditions of the basal magma ocean: 100-140 GPa, and 4000-6000 K. We find that the electrical conductivity exceeds 10,000 S/m, more than 100 times that measured in silicate liquids at low pressure and temperature. The magnetic Reynolds number computed from our results exceeds the threshold for dynamo activity and the magnetic field strength is similar to that observed in the Archean paleomagnetic record. We therefore conclude that the Archean field was produced by the basal magma ocean