R. Redmer

Ab Initio Equation of State Data for Hydrogen, Helium, and Water and the Internal Structure of Jupiter

The equation of state of hydrogen, helium, and water affects interior structure models of giant planets significantly. We present a new equation of state data table, LM-REOS, generated by large-scale quantum molecular dynamics simulations for hydrogen, helium, and water in the warm dense matter regime, i.e., for megabar pressures and temperatures of several thousand kelvins, and by advanced chemical methods in the complementary regions. The influence of LM-REOS on the structure of Jupiter is investigated and compared with state-of-the-art results within a standard three-layer model consistent with astrophysical observations of Jupiter. Our new Jupiter models predict an important impact of mixing effects of helium in hydrogen with respect to an altered compressibility and immiscibility.

Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations

We study the thermophysical properties of warm dense hydrogen by using quantum molecular dynamics simulations. Results are presented for the pair distribution functions, the equation of state, and the Hugoniot curve. From the dynamic conductivity, we derive the dc electrical conductivity and the reflectivity. We compare with available experimental data and predictions of the chemical picture. In particular, we discuss the nonmetal-to-metal transition, which occurs at about 40 GPa in the dense fluid.

PHYSICAL PROPERTIES OF DENSE, LOW-TEMPERATURE PLASMAS

Abstract Plasmas occur in a wide range of the density-temperature plane. The physical quantities can be expressed by Greens functions which are evaluated by means of standard quantum statistical methods. The influences of many-particle effects such as dynamic screening and self-energy, structure factor and local-field corrections, formation and decay of bound states, degeneracy and Pauli exclusion principle are studied. As a basic concept for partially ionized plasmas, a cluster decomposition is performed for the self-energy as well as for the polarization function. The general model of a partially ionized plasma interpolates between low-density, nonmetallic systems such as atomic vapors and high-density, conducting systems such as metals or fully ionized plasmas. The equations of state, including the location of the critical point and the shape of the coexistence curve, are determined for expanded alkali-atom and mercury fluids. The occurrence of a metal-nonmetal transition near the critical point of the liquid-vapor phase transition leads in these materials to characteristic deviations from the behavior of nonconducting fluids such as the inert gases. Therefore, a unified approach is needed to describe the drastic changes of the electronic properties as well as the variation of the physical properties with the density. Similar results are obtained for the hypothetical plasma phase transition in hydrogen plasma. The transport coefficients (electrical and thermal conductivity, thermopower) are studied within linear response theory given here in the formulation of Zubarev which is valid for arbitrary degeneracy and yields the transport coefficients for the limiting cases of nondegenerate, weakly coupled plasmas (Spitzer theory) as well as degenerate, strongly coupled plasmas (Ziman theory). This linear response method is applied to partially ionized systems such as dense, low-temperature plasmas. Here, the conductivity changes from nonmetallic values up to those typical for plasmas in a narrow density range above 1020 cm−3 for alkali-atom plasmas and 1022 cm−3 for hydrogen plasma, respectively. Furthermore, the thermopower can change its sign in the same region which indicates that a nonmetal-to-metal transition occurs also in dense, low-temperature plasmas. The magnetic susceptibility and the Korringa relation are calculated for expanded fluid metals along the coexistence line within the partially ionized plasma model. The various contributions to the total susceptibility are derived from an extended RPA which takes into account local-field corrections as well as the influence of localized electron states. The metal-nonmetal transition indicated by an enhancement of the electronic paramagnetic volume susceptibility is strongly connected with the occurrence of charged clusters. Static structure factors are determined for expanded cesium and mercury within the MHNC scheme via effective ion-ion potentials which are derived from the polarization function within an extended RPA. The optical properties of dense plasmas, the shift and broadening of spectral lines, can also be derived within the Greens function technique. Some new results for the spectral line shape are discussed.

Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium

Driving liquid deuterium into metal Quick and powerful compression can force materials to change their properties dramatically. Knudson et al. compressed liquid deuterium to extreme temperatures and pressures using high-energy magnetic pulses at the Sandia Z-machine (see the Perspective by Ackland). Deuterium began to reflect like a mirror during compression, as the electrical conductivity sharply increased. The observed conditions for metallization of deuterium and hydrogen help us to build theoretical models for the universes most abundant element. This a our understanding of the internal layering of gas giant planets such as Jupiter and Saturn. Science, this issue p. 1455; see also p. 1429 Magnetic compression drives an insulator-to-metal transition in dense liquid deuterium. [Also see Perspective by Ackland] Eighty years ago, it was proposed that solid hydrogen would become metallic at sufficiently high density. Despite numerous investigations, this transition has not yet been experimentally observed. More recently, there has been much interest in the analog of this predicted metallic transition in the dense liquid, due to its relevance to planetary science. Here, we show direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium. Experimental determination of the location of this transition provides a much-needed benchmark for theory and may constrain the region of hydrogen-helium immiscibility and the boundary-layer pressure in standard models of the internal structure of gas-giant planets.Eighty years ago, it was proposed that solid hydrogen would become metallic at sufficiently high density. Despite numerous investigations, this transition has not yet been experimentally observed. More recently, there has been much interest in the analog of this predicted metallic transition in the dense liquid, due to its relevance to planetary science. Here, we show direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium. Experimental determination of the location of this transition provides a much-needed benchmark for theory and may constrain the region of hydrogen-helium immiscibility and the boundary-layer pressure in standard models of the internal structure of gas-giant planets.

Ab Initio Simulations for Material Properties along the Jupiter Adiabat

We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiters adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Gruneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiters interior, e.g., models for the dynamo generation.

Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen

Using Kubos linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated within ab initio molecular dynamics simulations in order to study the thermoelectric transport coefficients in dense liquid hydrogen, especially near the nonmetal-to-metal transition region. We also observe significant deviations from the widely used Wiedemann-Franz law, which is strictly valid only for degenerate systems, and give an estimate for its valid scope of application toward lower densities.

Electronic structure measurements of dense plasmas

This paper presents an improved analytical expression for the x-ray dynamic structure factor from a dense plasma which includes the effects of weakly bound electrons. This result can be applied to describe scattering from low to moderate Z plasmas, and it covers the entire range of plasma conditions that can be found in inertial confinement fusion experiments, from ideal to degenerate up to moderately coupled systems. The theory is used to interpret x-ray scattering experiments from solid density carbon plasmas and to extract accurate measurements of electron temperature, electron density, and charge state. The experimental results are applied to validate various equation-of-state models for carbon plasmas.

Ultrahigh compression of water using intense heavy ion beams: laboratory planetary physics

Intense heavy ion beams offer a unique tool for generating samples of high energy density matter with extreme conditions of density and pressure that are believed to exist in the interiors of giant planets. An international accelerator facility named FAIR (Facility for Antiprotons and Ion Research) is being constructed at Darmstadt, which will be completed around the year 2015. It is expected that this accelerator facility will deliver a bunched uranium beam with an intensity of 5x10(11) ions per spill with a bunch length of 50-100 ns. An experiment named LAPLAS (Laboratory Planetary Sciences) has been proposed to achieve a low-entropy compression of a sample material like hydrogen or water (which are believed to be abundant in giant planets) that is imploded in a multi-layered target by the ion beam. Detailed numerical simulations have shown that using parameters of the heavy ion beam that will be available at FAIR, one can generate physical conditions that have been predicted to exist in the interior of giant planets. In the present paper, we report simulations of compression of water that show that one can generate a plasma phase as well as a superionic phase of water in the LAPLAS experiments.

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/cm(3). We compare with experimental results as well as with other theoretical approaches, especially with predictions of chemical models.

High-field transport and electroluminescence in ZnS phosphor layers

A full-band Monte Carlo simulation of the high-field electron transport in the ZnSphosphor layer of an alternating-current thin-film electroluminescent device is performed. The simulation includes a nonlocal empirical pseudopotential band structure for ZnS and the relevant scattering mechanisms for electrons in the first four conduction bands, including band-to-band impact ionization and impact excitation of Mn 2+ luminescent centers. The steady-state electron energy distribution in the ZnS layer is computed for phosphor fields from 1 to 2 MV/cm. The simulation reveals a substantial fraction of electrons with energies in excess of the Mn 2+ impact excitation threshold. The computed impact excitation yield for carriers transiting the phosphor layer exhibits an approximately linear increase with increasing phosphor field above threshold. The onset of Mn 2+ impact excitation coincides with the onset of band-to-band impact ionization of electron-hole pairs which prevents electron runaway at high electric fields.