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At least 19 records

Evaluation of exchange-correlation functionals with multiple-shock conductivity measurements in hydrogen and deuterium at the molecular-to-atomic transition

The temperature ( T ) and density (ρ) conditions at which hydrogen undergoes a molecular-to-atomic (MA) transition is crucial to our understanding of the gas-giant planets such as Jupiter and Saturn. First-principles (FP) calculations suggest that this transition is coincident with metallization and acts as a catalyst for hydrogen-helium demixing, which has significant consequences for models of planetary interiors. Prediction of this transition boundary has proven to be difficult using FP methods. In particular, detailed comparisons of finite temperature density functional theory (FT-DFT) calculations of the MA transition in both the high- T , low-ρ regime, where the transition is largely T driven, and the low- T , high-ρ regime, where the transition is largely ρ driven, suggest that the transition is very sensitive to the exchange-correlation (xc) functional used in the calculation. Here we present a detailed comparison of previous multiple-shock electrical conductivity measurements with FT-DFT calculations employing various xc functionals to probe a regime where both T and ρ play an important role in the transition. The measurement results are found to be inconsistent with the semilocal xc functional PBE and are in much better agreement with the nonlocal xc functionals vdW-DF1 and vdW-DF2. Furthermore, we show that the inconsistency with PBE likely stems from pressure errors associated with the PBE xc functional, resulting in calculated pressures that are too low at these T and ρ conditions. Together with previous comparisons at high- T , low-ρ and low- T , high-ρ these results provide a consistent picture for the MA transition over a wide T and ρ range. Here, this picture may also provide insight into differences in experimental observations of the metallization of liquid hydrogen and deuterium in the low- T regime.

08 HYDROGEN↗

Characterizing IHE Response to Multiple Shock Loading

The response of high explosives to shock loading is traditionally measured with a steady loading pressure. In many accident scenarios involving fragment impact, however, a loading duration that is shorter than the build up to detonation may occur. Fragments passing through multiple materials before reaching a high explosive charge may produce loading that is comprised of more than one shock wave. Additionally, the build up to detonation in high explosive corner turning loads the explosive a short duration pressure pulse, since rarefactions can often rapidly overtake the reactive wave. For these reasons, we have studied the response of the insensitive high explosive (IHE) materials PBX 9502 and LX-17 to complex loadings of varied intensity and duration. We refer to a single loading of limited duration as a “thin pulse”, whereas more complex scenarios were studied with an impactor that produces a double shock in the explosive. The following report presents experimental data and analyses of thin pulse shock initiation and double shock experiments designed to guide development of models of Insensitive High Explosives (IHEs) under controlled one-dimensional conditions relevant to accident scenarios and corner turning. Thin pulse shock initiation data on PBX 9502 and LX-17 were obtained under varied pulse duration, pressed density, and temperature conditions in order to probe various parameters essential for the development of a physics-based Cheetah reactive flow hotspot model. In situ pressure gauges provide insight into the degree of reaction in the explosive that are not obtainable with optical PDV measurements or distance measurements such as run to detonation. Double shock data was obtained to inform a Composition Aware Cheetah model which can be applied to any TATB-based IHEs. This model supports efforts to find a new IHE formulation and potentially incorporate new binders into IHE formulations. Simulations of each experiment are included to demonstrate the utility of these focused experiments to developing models of HE behavior. One-dimensional gas gun experiments are essential for characterizing shocked HE behavior and informing HE models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complete equation of state for shocked liquid nitrogen: Analytical developments

The thermodynamic response of liquid nitrogen has been studied extensively, in part, due to the long-standing interest in the high pressure and high temperature dissociation of shocked molecular nitrogen. Previous equation of state (EOS) developments regarding shocked liquid nitrogen have focused mainly on the use of intermolecular pair potentials in atomistic calculations. Here, we present EOS developments for liquid nitrogen, incorporating analytical models, for use in continuum calculations of the shock compression response. The analytical models, together with available Hugoniot data, were used to extrapolate a low pressure reference EOS for molecular nitrogen [Span, et al., J. Phys. Chem. Ref. Data 29, 1361 (2000)] to high pressures and high temperatures. Using the EOS presented here, the calculated pressures and temperatures for single shock, double shock, and multiple shock compression of liquid nitrogen provide a good match to the measured results over a broad range of P-T space. Our calculations provide the first comparison of EOS developments with recently-measured P-T states under multiple shock compression. The present EOS developments are general and are expected to be useful for other liquids that have low pressure reference EOS information available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Amplification of turbulence through multiple planar shocks

We study the amplification of isotropic, incompressible turbulence through multiple planar, collisional shocks, using analytical linear theory. There are two limiting cases we explore. The first assumes shocks occur rapidly in time such that the turbulence does not evolve between shocks. Whereas the second case allows enough time for turbulence to isotropize between each shock. For the latter case, through a quasi-equation-of-state, we show that the weak multishock limit is agnostic to the distinction between thermal and vortical turbulent pressures, like an isotropic volumetric compression. When turbulence does not return to isotropy between shocks, the generated anisotropy—itself a function of shock strength—can feedback on amplification by further shocks, altering choices for maximal or minimal amplification. In addition for this case, we find that amplification is sensitive to the shock ordering. As a result, we map how choices of shock strength can impact these amplification differences due to ordering, finding, for example, shock pairs which lead to identical mean postshock fields (density, temperature, pressure) but maximally distinct turbulent amplification.

Astrophysical fluid dynamics↗

RADIO AND X-RAY SHOCKS IN CLUSTERS OF GALAXIES

Radio relics detected in the outskirts of galaxy clusters are thought to trace radio-emitting relativistic electrons accelerated at cosmological shocks. In this study, using the cosmological hydrodynamic simulation data for the large-scale structure formation and adopting a diffusive shock acceleration (DSA) model for the production of cosmic-ray (CR) electrons, we construct mock radio and X-ray maps of simulated galaxy clusters that are projected in the sky plane. Various properties of shocks and radio relics, including the shock Mach number, radio spectral index, and luminosity, are extracted from the synthetic maps and compared with observations. A substantial fraction of radio and X-ray shocks identified in these maps involve multiple shock surfaces along lines of sight (LOSs), and the morphology of shock distributions in the maps depends on the projection direction. Among multiple shocks in a given LOS, radio observations tend to pick up stronger shocks with flatter radio spectra, while X-ray observations preferentially select weaker shocks with larger kinetic energy flux. As a result, in some cases the shock Mach numbers and locations derived from radio and X-ray observations could differ from each other. We also find that the distributions of the spectral index and radio power of the synthetic radio relics are somewhat inconsistent with those of observed real relics; a bit more radio relics have been observed closer to the cluster core and with steeper spectral indices. We suggest that the inconsistency could be explained if very weak shocks with M{sub s} ≲ 2 accelerate CR electrons more efficiently, compared with the DSA model adopted here.

79 ASTRONOMY AND ASTROPHYSICS↗

Non-Richtmyer–Meshkov instability ejecta production based on shallow bubble collapse

The study of shock-driven ejecta production has focused on Richtmyer–Meshkov instability (RMI) growth from geometric features of the material surface. Extensive study of this mechanism under both single- and multiple-shock conditions has found that the ejected mass tends to be closely associated with the shocked surface phase, and its temperature is not dramatically greater than the hydrodynamic shock temperature of the bulk. In this work, we propose and demonstrate a new ejecta production mechanism that can occur under multiple-shock conditions based on the collapse of bubbles near the free surface of the material. This mechanism produces ejected mass that is much greater in quantity than observed in the RMI case. The particles are much hotter than predicted by the shock Hugoniot state, and the ejected mass does not appear to be strongly dependent upon initial surface finish. The ejecta source extends into the material with no clear remaining free surface. We name this mechanism Shallow Bubble Collapse (SBC) and discuss the conditions under which it activates. We demonstrate resolved modeling methods that enable the calculation, design, and study of SBC as a mechanism and perform a series of experiments to compare with the models. Under some multiple-shock conditions, SBC ejection produces ten times more ejected mass than RMI growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

WHEN SHOCK WAVES COLLIDE

Supersonic outflows from objects as varied as stellar jets, massive stars, and novae often exhibit multiple shock waves that overlap one another. When the intersection angle between two shock waves exceeds a critical value, the system reconfigures its geometry to create a normal shock known as a Mach stem where the shocks meet. Mach stems are important for interpreting emission-line images of shocked gas because a normal shock produces higher postshock temperatures, and therefore a higher-excitation spectrum than does an oblique shock. In this paper, we summarize the results of a series of numerical simulations and laboratory experiments designed to quantify how Mach stems behave in supersonic plasmas that are the norm in astrophysical flows. The experiments test analytical predictions for critical angles where Mach stems should form, and quantify how Mach stems grow and decay as intersection angles between the incident shock and a surface change. While small Mach stems are destroyed by surface irregularities and subcritical angles, larger ones persist in these situations and can regrow if the intersection angle changes to become more favorable. The experimental and numerical results show that although Mach stems occur only over a limited range of intersection angles and size scales, within these ranges they are relatively robust, and hence are a viable explanation for variable bright knots observed in Hubble Space Telescope images at the intersections of some bow shocks in stellar jets.

79 ASTRONOMY AND ASTROPHYSICS↗

Free energy models for ice VII and liquid water derived from pressure, entropy, and heat capacity relations

Here, we present equations of state relevant to conditions encountered in ramp and multiple-shock compression experiments of water. These experiments compress water from ambient conditions to pressures as high as about 14 GPa and temperatures of up to several hundreds of Kelvin. Water may freeze into ice VII during this process. Although there are several studies on the thermodynamic properties of ice VII, an accurate and analytic free energy model from which all other properties may be derived in a thermodynamically consistent manner has not been previously determined. We have developed such a free energy model for ice VII that is calibrated with pressure-volume-temperature measurements and melt curve data. Furthermore, we show that liquid water in the pressure and temperature range of interest is well-represented by a simple Mie-Grüneisen equation of state. Our liquid water and ice VII equations of state are validated by comparing to sound speed and Hugoniot data. Although they are targeted towards ramp and multiple-shock compression experiments, we demonstrate that our equations of state also behave reasonably well at pressures and temperatures that lie somewhat beyond those found in the experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flame acceleration and transition to detonation in a pre-/main-chamber combustion system

Numerical simulations are performed to study the mechanism of deflagration to detonation transition (DDT) in a pre-/main-chamber combustion system with a stoichiometric ethylene–oxygen mixture. A Godunov algorithm, fifth-order in space, and third-order in time, is used to solve the fully compressible Navier–Stokes equations on a dynamically adapting mesh. A single-step, calibrated chemical diffusive model described by Arrhenius kinetics is used for energy release and conservation between the fuel and the product. The two-dimensional simulation shows that a laminar flame grows in the pre-chamber and then develops into a jet flame as it passes through the orifice. A strong shock forms immediately ahead of the flame, reflecting off the walls and interacting with the flame front. The shock–flame interactions are crucial for the development of flame instabilities, which trigger the subsequent flame development. The DDT arises due to a shock-focusing mechanism, where multiple shocks collide at the flame front. A chemical explosive mode analysis (CEMA) criterion is developed to study the DDT ignition mode. Preliminary one-dimensional computations for a laminar propagating flame, a fast flame deflagration, and a Chapman–Jouguet detonation are conducted to demonstrate the validity of CEMA on the chemical-diffusive model, as well as to determine the proper conditioning value for CEMA diagnostic. The two-dimensional analysis with CEMA indicates that the DDT initiated by the shock-focusing mechanism can form a strong thermal expansion region at the flame front that features large positive eigenvalues for the chemical explosive mode and dominance of the local autoignition mode. Thus, the CEMA criterion proposed in this study provides a robust diagnostic for identifying autoignition-supported DDT, of which the emergence of excessive local autoignition mode is found to be a precursor. The effect of grid size, initial temperature, and orifice size are then evaluated, and results show that although the close-chamber DDT is highly stochastic, the detonation initiation mechanism remains robust.

42 ENGINEERING↗

SIMULATIONS OF VISCOUS ACCRETION FLOW AROUND BLACK HOLES IN A TWO-DIMENSIONAL CYLINDRICAL GEOMETRY

We simulate shock-free and shocked viscous accretion flows onto a black hole in a two-dimensional cylindrical geometry, where initial conditions were chosen from analytical solutions. The simulation code used the Lagrangian total variation diminishing plus remap routine, which enabled us to attain high accuracy in capturing shocks and to handle the angular momentum distribution correctly. The inviscid shock-free accretion disk solution produced a thick disk structure, while the viscous shock-free solution attained a Bondi-like structure, but in either case, no jet activity nor any quasi-periodic oscillation (QPO)-like activity developed. The steady-state shocked solution in the inviscid as well as in the viscous regime matched theoretical predictions well. However, increasing viscosity renders the accretion shock unstable. Large-amplitude shock oscillation is accompanied by intermittent, transient inner multiple shocks. This oscillation of the inner part of the disk is interpreted as the source of QPO in hard X-rays observed in micro-quasars. Strong shock oscillation induces strong episodic jet emission. The jets also show the existence of shocks, which are produced as one shell hits the preceding one. The periodicities of the jets and shock oscillation are similar; the jets for the higher viscosity parameter appear to be stronger and faster.

79 ASTRONOMY AND ASTROPHYSICS↗

Same-sided successive-shock HED instability experiments

Inertial confinement fusion (ICF) and high-energy density (HED) physics experiments experience complicated forcing for instability growth and mix due to the ubiquitous presence of multiple shocks interacting with perturbations on multiple material interfaces. One common driver of instability growth is successive shocks from the same direction. However, there is a severe lack of analytic work and modeling validation for same-sided successive shocks since they are extremely difficult to achieve with conventional (non-HED) drivers. Successive shocks access a large instability parameter space; idealized fluid theory [K. O. Mikaelian, Phys. Rev. A 31, 410 (1985)] predicts 15 different interface evolution scenarios for a sinusoidal perturbation. Growth becomes more complex for multi-mode, compressible HED systems. The Mshock campaign is the first experiment in any fluid regime to probe a wide portion of successive shock parameter space. This is enabled by our development of a hybrid direct/indirect drive platform capable of creating independently controllable successive shocks on the National Ignition Facility. These experiments have delivered the first data capable of rigorously challenging our models and their ability to accurately capture Richtmyer–Meshkov growth under successive shocks. Single-mode and two-mode experiments have successfully demonstrated the ability to access and control the various growth scenarios of the shocked interface, including re-inversion, freeze out, and continued growth. Simulations and theoretical modeling are shown to accurately capture the experimental observations in the linear growth phase, giving us confidence in our ICF/HED design codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dispersive Evolution of Nonlinear Fast Magnetoacoustic Wave Trains

Quasi-periodic rapidly propagating wave trains are frequently observed in extreme ultraviolet observations of the solar corona, or are inferred by the quasi-periodic modulation of radio emission. The dispersive nature of fast magnetohydrodynamic waves in coronal structures provides a robust mechanism to explain the detected quasi-periodic patterns. We perform 2D numerical simulations of impulsively generated wave trains in coronal plasma slabs and investigate how the behavior of the trapped and leaky components depend on the properties of the initial perturbation. For large amplitude compressive perturbations, the geometrical dispersion associated with the waveguide suppresses the nonlinear steepening for the trapped wave train. The wave train formed by the leaky components does not experience dispersion once it leaves the waveguide and so can steepen and form shocks. The mechanism we consider can lead to the formation of multiple shock fronts by a single, large amplitude, impulsive event and so can account for quasi-periodic features observed in radio spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

Theoretical quantification of shock-timing sensitivities for direct-drive inertial confinement fusion implosions on OMEGA

Using temporally shaped laser pulses, multiple shocks can be launched in direct-drive inertial confinement fusion implosion experiments to set the shell on a desired isentrope or adiabat. The velocity of the first shock and the times at which subsequent shocks catch up to it are measured through the VISAR diagnostic on OMEGA. Simulations reproduce these velocity and shock-merger time measurements when using laser pulses designed for setting mid-adiabat (α ~ 3) implosions, but agreement degrades for lower-adiabat (α ~ 1) designs. Several possibilities for this difference are studied: errors in placing the target at the center of irradiation (target offset), variations in energy between the different incident beams (power imbalance), and errors in modeling the laser energy coupled into the capsule. Simulation results indicate that shock timing is most sensitive to details of the density and temperature profiles in the coronal plasma, which influences the laser energy coupled into the target, and only marginally sensitive to target offset and beam power imbalance. A new technique under development to infer coronal profiles using x-ray self-emission imaging can be applied to the pulse shapes used in shock-timing experiments. In conclusion, this will help identify improved physics models to implement in codes and consequently enhance shock-timing predictive capability for low-adiabat pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

FY18 J23X PDZG Final Report: Double Shock Initiation of PBX 9502 Lot HOL88H891-008

Heterogeneous high explosives subjected to sub-critical shock waves are known to exhibit desensitization to later shock inputs. While it is believed that this phenomenon is due to the removal of hot spot forming features in the explosive by the initial sub-critical shock, the effect of the time delay between the shocks is poorly understood. This report details a series of double shock plate impact experiments that vary the time between similar shocks to explore the time dependance of this shock desensitization process. These experiments were performed on the insensitive explosive PBX 9502 (95% TATB, 5% Kel-F 800) with lot number HOL88H891-008. The evolution of the shocks to a detonation was characterized by 9 embedded magnetic particle velocity gauges, and 116 embedded magnetic time of arrival gauges (AKA shock trackers). Photon Doppler velocimetry (PDV) with a LiF window was used at the back surface of the samples to capture the wave profile exiting the sample. Three double shock experiments were performed, with first and second shock pressures of 8.3 GPa and 16.5 GPa, respectively. An analogous single shock experiment at 16.3 GPa was also performed. The double shock experiments exhibited small levels of reaction during the initial shock,and shock desensitization to the second shock. Run distances after shock coalescence were shorter than those expected for a single shock, indicating the shock to detonation transition (SDT) process was slightly further along due to partial reaction in the first shock wave. These data will be used to calibrate model behavior under multiple-shock conditions. Additional double shock data will be collected to further explore this area in FY2019. All data have been uploaded to the LANL Small Scale Database for use by the research community.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Simulation and flow physics of a shocked and reshocked high-energy-density mixing layer

This work describes a computational investigation of multimode instability growth and multimaterial mixing induced by multiple shock waves in a high-energy-density (HED) environment, where pressures exceed 1 Mbar. The simulations are based on a series of experiments performed at the National Ignition Facility (NIF) and designed as an HED analogue of non-HED shock-tube studies of the Richtmyer–Meshkov instability and turbulent mixing. A three-dimensional computational modelling framework is presented. It treats many complications absent from canonical non-HED shock-tube flows, including distinct ion and free-electron internal energies, non-ideal equations of state, radiation transport and plasma-state mass diffusivities, viscosities and thermal conductivities. The simulations are tuned to the available NIF data, and traditional statistical quantities of turbulence are analysed. Integrated measures of turbulent kinetic energy and enstrophy both increase by over an order of magnitude due to reshock. Large contributions to enstrophy production during reshock are seen from both the baroclinic source and enstrophy–dilatation terms, highlighting the significance of fluid compressibility in the HED regime. Dimensional analysis reveals that Reynolds numbers and diffusive Péclet numbers in the HED flow are similar to those in a canonical non-HED analogue, but conductive Péclet numbers are much smaller in the HED flow due to efficient thermal conduction by free electrons. It is shown that the mechanism of electron thermal conduction significantly softens local spanwise gradients of both temperature and density, which causes a minor but non-negligible decrease in enstrophy production and small-scale mixing relative to a flow without this mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

TRANSIENT GALACTIC COSMIC-RAY MODULATION DURING SOLAR CYCLE 24: A COMPARATIVE STUDY OF TWO PROMINENT FORBUSH DECREASE EVENTS

Forbush decrease (FD) events are of great interest for transient galactic cosmic-ray (GCR) modulation study. In this study, we perform comparative analysis of two prominent Forbush events during cycle 24, occurring on 2012 March 8 (Event 1) and 2015 June 22 (Event 2), utilizing the measurements from the worldwide neutron monitor (NM) network. Despite their comparable magnitudes, the two Forbush events are distinctly different in terms of evolving GCR energy spectrum and energy dependence of the recovery time. The recovery time of Event 1 is strongly dependent on the median energy, compared to the nearly constant recovery time of Event 2 over the studied energy range. Additionally, while the evolutions of the energy spectra during the two FD events exhibit similar variation patterns, the spectrum of Event 2 is significantly harder, especially at the time of deepest depression. These difference are essentially related to their associated solar wind disturbances. Event 1 is associated with a complicated shock-associated interplanetary coronal mass ejection (ICME) disturbance with large radial extent, probably formed by the merging of multiple shocks and transient flows, and which delivered a glancing blow to Earth. Conversely, Event 2 is accompanied by a relatively simple halo ICME with small radial extent that hit Earth more head-on.

79 ASTRONOMY AND ASTROPHYSICS↗

Photoacoustic shock wave emission and cavitation from structured optical fiber tips

Photoacoustic waves generated at the tip of an optical fiber consist of a compressive shock wave followed by tensile diffraction waves. These tensile waves overlap along the fiber axis and form a cloud of cavitation bubbles. We demonstrate that shaping the fiber tip through micromachining alters the number and direction of the emitted waves and cavitation clouds. Shock wave emission and cavitation patterns from five distinctively shaped fiber tips have been studied experimentally and compared to a linear wave propagation model. In particular, multiple shock wave emission and generation of strong tension away from the fiber axis have been realized using modified fiber tips. These altered waveforms may be applied for novel microsurgery protocols, such as fiber-based histotripsy, by utilizing bubble-shock wave interaction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗