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At least 343 records · Page 19

First-principles equation of state database for warm dense matter computation

We put together a first-principles equation of state (FPEOS) database for matter at extreme conditions by combining results from path integral Monte Carlo and density functional molecular dynamics simulations of the elements H, He, B, C, N, O, Ne, Na, Mg, Al, and Si as well as the compounds LiF , B 4 C , BN , CH 4 , CH 2 , C 2 H 3 , CH , C 2 H , MgO , and MgSiO 3 . For all these materials, we provide the pressure and internal energy over a density-temperature range from ~ 0.5 to 50 g cm - 3 and from ~ 10 4 to 10 9 K, which are based on ~ 5000 different first-principles simulations. We compute isobars, adiabats, and shock Hugoniot curves in the regime of L - and K -shell ionization. Invoking the linear mixing approximation, we study the properties of mixtures at high density and temperature. Furthermore, we derive the Hugoniot curves for water and alumina as well as for carbon-oxygen, helium-neon, and CH-silicon mixtures. We predict the maximal shock compression ratios of H 2 O , H 2 O 2 , Al 2 O 3 , CO , and CO 2 to be 4.61, 4.64, 4.64, 4.89, and 4.83, respectively. Finally we use the FPEOS database to determine the points of maximum shock compression for all available binary mixtures. We identify mixtures that reach higher shock compression ratios than their end members. We discuss trends common to all mixtures in pressure-temperature and particle-shock velocity spaces. In the Supplemental Material, we provide all FPEOS tables as well as computer codes for interpolation, Hugoniot calculations, and plots of various thermodynamic functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Benchmarking boron carbide equation of state using computation and experiment

Boron carbide ( B 4 C ) is of both fundamental scientific and practical interest due to its structural complexity and how it changes upon compression, as well as its many industrial uses and potential for use in inertial confinement fusion (ICF) and high-energy density physics experiments. Here, we report the results of a comprehensive computational study of the equation of state (EOS) of B 4 C in the liquid, warm dense matter, and plasma phases. Our calculations are cross-validated by comparisons with Hugoniot measurements up to 61 megabar from planar shock experiments performed at the National Ignition Facility (NIF). Our computational methods include path integral Monte Carlo, activity expansion, as well as all-electron Green's function Korringa-Kohn-Rostoker and molecular dynamics that are both based on density functional theory. We calculate the pressure-internal energy EOS of B 4 C over a broad range of temperatures ( ~ 6 × 10 3 – 5 × 10 8 K) and densities (0.025–50 g / cm 3 ). We assess that the largest discrepancies between theoretical predictions are ≲ 5 % near the compression maximum at 1– 2 × 10 6 K. This is the warm-dense state in which the K shell significantly ionizes and has posed grand challenges to theory and experiment. By comparing with different EOS models, we find a Purgatorio model (LEOS 2122) that agrees with our calculations. The maximum discrepancies in pressure between our first-principles predictions and LEOS 2122 are ~ 18 % and occur at temperatures between 6 × 10 3 – 2 × 10 5 K, which we believe originate from differences in the ion thermal term and the cold curve that are modeled in LEOS 2122 in comparison with our first-principles calculations. To account for potential differences in the ion thermal term, we have developed three new equation-of-state models that are consistent with theoretical calculations and experiment. We apply these new models to 1D hydrodynamic simulations of a polar direct-drive NIF implosion, demonstrating that these new models are now available for future ICF design studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fluctuations in quantum mechanics and field theories from a new version of semiclassical theory. II.

This is the second paper on the semiclassical approach based on the density matrix given by the Euclidean time path integral with fixed coinciding end points. The classical path, interpolating between this point and the classical vacuum (called a “flucton”), as well as systematic one- and two-loop corrections were calculated in the first paper [M. A. Escobar-Ruiz, E. Shuryak, and A. V. Turbiner, Phys. Rev. D 93, 105039 (2016)] for a double-well potential. Here, we extend them for a number of quantum-mechanical problems, such as an anharmonic oscillator and the sine-Gordon potential. The method is based on a systematic expansion in Feynman diagrams and thus can be extended to quantum field theories (QFTs). We show that the loop expansion in quantum mechanics resembles the leading-log approximations in QFT. In this sequel, we present a complete set of results obtained using this method in a unified way. Alternatively, starting from the Schrödinger equation we derive a generalized Bloch equation whose semiclassical-like, iterative solution generates the loop expansion. We rederive the two-loop expansions for all three of the above potentials and extend them to three loops, which has not yet been done via Feynman diagrams. All results for both methods are fully consistent with each other. An asymmetric (tilted) double-well potential (nondegenerate minima) is also studied using the second method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Landau damping of magnetospherically reflected whistlers

Unducted VLF signals produced by lightning activity can form a population of magnetospherically reflected (MR) whistlers in the inner magnetosphere. It has been suggested recently that in the absence of significant attenuation such waves could merge into a broadband continuum with sufficient intensity to account for plasmaspheric hiss. To test this conjecture we have evaluated the path-integrated attenuation of MR whistlers along representative ray paths using the HOTRAY code. Using a realistic plasma distribution modeled on in-situ data, we find that the majority of MR waves experience significant damping after a few transits across the equator. This is primarily due to Landau resonance with suprathermal (0.1-1 keV) electrons. The attenuation is most pronounced for waves that propagate through the outer plasmasphere; this can readily account for the infrequent occurrence of multiple-hop MR waves for L greater than or equal to 3.5. Selected waves that originate at intermediate latitudes (15 deg is less than or equal to lambda is less than or equal to 35 deg) and whose ray paths are confined to the inner plasma- sphere may experience up to 10 magnetospheric reflections before substantial attentuation occurs. These waves should form the population of observed MR waves. Wave attenuation becomes more pronounced at higher frequencies; this can account for the absence of multiple-hop waves above 5 kHz. Weakly attenuated MR waves tend to migrate outward to the L shell, where their frequency is comparable to the equatorial lower hybrid frequency. The enhanced concentration of waves due to a merging of ray paths would produce a spectral feature that rises in frequency at lower L. This is quite distinct from the reported properties of plasmaspheric hiss, which maintains a constant frequency band throughout the entire plasmasphere. Furthermore, in the absence of mode conversion, waves below 500 Hz, which often form an important if not dominant part of the spectral properties of hiss, are unable to escape from the topside ionosphere in the whistler mode. Consequently, we conclude that unducted lightning signals cannot account for the origin of plasmaspheric hiss.

Thorne, Richard M.↗

Note: A portable Raman analyzer for microfluidic chips based on a dichroic beam splitter for integration of imaging and signal collection light paths

An integrated and portable Raman analyzer featuring an inverted probe fixed on a motor-driving adjustable optical module was designed for the combination of a microfluidic system. It possesses a micro-imaging function. The inverted configuration is advantageous to locate and focus microfluidic channels. Different from commercial micro-imaging Raman spectrometers using manual switchable light path, this analyzer adopts a dichroic beam splitter for both imaging and signal collection light paths, which avoids movable parts and improves the integration and stability of optics. Combined with surface-enhanced Raman scattering technique, this portable Raman micro-analyzer is promising as a powerful tool for microfluidic analytics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Reduced hierarchical equations of motion in real and imaginary time: Correlated initial states and thermodynamic quantities

For a system strongly coupled to a heat bath, the quantum coherence of the system and the heat bath plays an important role in the system dynamics. This is particularly true in the case of non-Markovian noise. We rigorously investigate the influence of system-bath coherence by deriving the reduced hierarchal equations of motion (HEOM), not only in real time, but also in imaginary time, which represents an inverse temperature. It is shown that the HEOM in real time obtained when we include the system-bath coherence of the initial thermal equilibrium state possess the same form as those obtained from a factorized initial state. We find that the difference in behavior of systems treated in these two manners results from the difference in initial conditions of the HEOM elements, which are defined in path integral form. We also derive HEOM along the imaginary time path to obtain the thermal equilibrium state of a system strongly coupled to a non-Markovian bath. Then, we show that the steady state hierarchy elements calculated from the real-time HEOM can be expressed in terms of the hierarchy elements calculated from the imaginary-time HEOM. Moreover, we find that the imaginary-time HEOM allow us to evaluate a number of thermodynamic variables, including the free energy, entropy, internal energy, heat capacity, and susceptibility. The expectation values of the system energy and system-bath interaction energy in the thermal equilibrium state are also evaluated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

47 OTHER INSTRUMENTATION↗

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

Kreitinger, Aaron↗

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

Kreitinger, Aaron Thomas↗

High-sensitivity gas-mapping 3D imager and method of operation

Measurement apparatuses and methods are disclosed for generating high-precision and -accuracy gas concentration maps that can be overlaid with 3D topographic images by rapidly scanning one or several modulated laser beams with a spatially-encoded transmitter over a scene to build-up imagery. Independent measurements of the topographic target distance and path-integrated gas concentration are combined to yield a map of the path-averaged concentration between the sensor and each point in the image. This type of image is particularly useful for finding localized regions of elevated (or anomalous) gas concentration making it ideal for large-area leak detection and quantification applications including: oil and gas pipeline monitoring, chemical processing facility monitoring, and environmental monitoring.

Kreitinger, Aaron Thomas↗

On the integration of image sources in exact image method of field analysis

Convergence conditions of image integration in the exact image method of field calculation have been investigated, and the method is extended to include more general media than previously considered. It is demonstrated that the integral is well behaved and the method works best when the field is calculated in a medium with less loss. If the medium has more loss, it is shown that the image line may enter the improper half-space and still produce valid results. Means of correctly selecting the integration path branch for the case of crossing branch cuts of the Green function in complex integration planes are proposed.

Lindell, I. V.↗

Development of a Coherent Differential Absorption Lidar for Range Resolved Atmospheric CO2 Measurements

A pulsed, 2-m coherent Differential Absorption Lidar (DIAL) / Integrated Path Differential Absorption (IPDA) transceiver, developed under the Laser Risk Reduction Program (LRRP) at NASA, is integrated into a fully functional lidar instrument. This instrument will measure atmospheric CO2 profiles (by DIAL) initially from a ground platform, and then be prepared for aircraft installation to measure the atmospheric CO2 column densities in the atmospheric boundary layer (ABL) and lower troposphere. The airborne prototype CO2 lidar can measure atmospheric CO2 column density in a range bin of 1km with better than 1.5% precision at horizontal resolution of less than 50km. It can provide the image of the pooling of CO2 in lowlying areas and performs nighttime mass balance measurements at landscape scale. This sensor is unique in its capability to study the vertical ABL-free troposphere exchange of CO2 directly. It will allow the investigators to pursue subsequent in science-driven deployments, and provides a unique tool for Active Sensing of CO2 Emissions over Night, Days, and Seasons (ASCENDS) validation that was strongly advocated in the recent ASCENDS Workshop.

Yu, Jirong↗

ASSERT FY16 Analysis of Feedstock Companion Markets

Meeting Co-Optima biofuel production targets will require large quantities of mobilized biomass feedstock. Mobilization is of key importance as there is an abundance of biomass resources, yet little is available for purchase, let alone at desired quantity and quality levels needed for a continuous operation, e.g., a biorefinery. Therefore Co-Optima research includes outlining a path towards feedstock production at scale by understanding routes to mobilizing large quantities of biomass feedstock. Continuing along the vertically-integrated path that pioneer cellulosic biorefineries have taken will constrain the bioenergy industry to high biomass yield areas, limiting its ability to reach biofuel production at scale. To advance the cellulosic biofuels industry, a separation between feedstock supply and conversion is necessary. Thus, in contrast to the vertically integrated supply chain, two industries are required: a feedstock industry and a conversion industry. The split is beneficial for growers and feedstock processers as they are able to sell into multiple markets. That is, depots that produce value-add feedstock intermediates that are fully fungible in both the biofuels refining and other, so-called companion markets. As the biofuel industry is currently too small to leverage significant investment in up-stream infrastructure build-up, it requires an established (companion) market to secure demand, which de-risks potential investments and makes a build-up of processing and other logistics infrastructure more likely. A common concern to this theory however is that more demand by other markets could present a disadvantage for biofuels production as resource competition may increase prices leading to reduced availability of low-cost feedstock for biorefineries. To analyze the dynamics across multiple markets vying for the same resources, particularly the potential effects on resource price and distribution, the Companion Market Model (CMM) has been developed in this task by experts in feedstock supply chain analysis, market economics, and System Dynamics from the Idaho National Laboratory and MindsEye Computing.

09 BIOMASS FUELS↗

Candidate Performance Metrics for Generalized Control for Autonomous Flight

Contingency management is the most challenging aspect of autonomous flight. In order to accommodate the most flexible response to unpredicted events and unexpected circumstances, i.e. contingencies, a new integrated path planning, trajectory following, flight control architecture is required that would maximize the safe operating envelope. For this highly integrated generalized control architecture, a new set of performance metrics that extends beyond traditional stability and performance is required. This paper proposes a candidate set of new performance metrics relevant to urban air mobility mission scenarios.

Control metrics↗

Candidate Performance Metrics for Generalized Control for Autonomous Flight

Contingency management is the most challenging aspect of autonomous flight. In order to accommodate the most flexible response to unpredicted events and unexpected circumstances, i.e. contingencies, a new integrated path planning, trajectory following, flight control architecture is required that would maximize the safe operating envelope. For this highly integrated generalized control architecture, a new set of performance metrics that extends beyond traditional stability and performance is required. This paper proposes a candidate set of new performance metrics relevant to urban air mobility mission scenarios.

Control metrics↗

Gas-mapping 3D imager measurement techniques and method of data processing

Measurement approaches and data analysis methods are disclosed for combining 3D topographic data with spatially-registered gas concentration data to increase the efficiency of gas monitoring and leak detection tasks. Here, the metric for efficiency is defined as reducing the measurement time required to achieve the detection, or non-detection, of a gas leak with a desired confidence level. Methods are presented for localizing and quantifying detected gas leaks. Particular attention is paid to the combination of 3D spatial data with path-integrated gas concentration measurements acquired using remote gas sensing technologies, as this data can be used to determine the path-averaged gas concentration between the sensor and points in the measurement scene. Path-averaged gas concentration data is useful for finding and quantifying localized regions of elevated (or anomalous) gas concentration making it ideal for a variety of applications including: oil and gas pipeline monitoring, facility leak and emissions monitoring, and environmental monitoring.

Thorpe, Michael↗

Assessment of the Performance of a Dual-Frequency Surface Reference Technique

The high correlation of the rain-free surface cross sections at two frequencies implies that the estimate of differential path integrated attenuation (PIA) caused by precipitation along the radar beam can be obtained to a higher degree of accuracy than the path-attenuation at either frequency. We explore this finding first analytically and then by examining data from the JPL dual-frequency airborne radar using measurements from the TC4 experiment obtained during July-August 2007. Despite this improvement in the accuracy of the differential path attenuation, solving the constrained dual-wavelength radar equations for parameters of the particle size distribution requires not only this quantity but the single-wavelength path attenuation as well. We investigate a simple method of estimating the single-frequency path attenuation from the differential attenuation and compare this with the estimate derived directly from the surface return.

precipitation↗