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At least 1,117 records · Page 62

CORONAL PROPERTIES OF THE SEYFERT 1.9 GALAXY MCG-05-23-016 DETERMINED FROM HARD X-RAY SPECTROSCOPY WITH NuSTAR

Measurements of the high-energy cut-off in the coronal continuum of active galactic nuclei have long been elusive for all but a small number of the brightest examples. We present a direct measurement of the cut-off energy in the nuclear continuum of the nearby Seyfert 1.9 galaxy MCG-05-23-016 with unprecedented precision. The high sensitivity of NuSTAR up to 79 keV allows us to clearly disentangle the spectral curvature of the primary continuum from that of its reflection component. Using a simple phenomenological model for the hard X-ray spectrum, we constrain the cut-off energy to 116{sub −5}{sup +6} keV with 90% confidence. Testing for more complex models and nuisance parameters that could potentially influence the measurement, we find that the cut-off is detected robustly. We further use simple Comptonized plasma models to provide independent constraints for both the kinetic temperature of the electrons in the corona and its optical depth. At the 90% confidence level, we find kT{sub e} = 29 ± 2 keV and τ {sub e} = 1.23 ± 0.08 assuming a slab (disk-like) geometry, and kT{sub e} = 25 ± 2 keV and τ {sub e} = 3.5 ± 0.2 assuming a spherical geometry. Both geometries are found to fit the data equally well and their two principal physical parameters are correlated in both cases. With the optical depth in the τ {sub e} ≳ 1 regime, the data are pushing the currently available theoretical models of the Comptonized plasma to the limits of their validity. Since the spectral features and variability arising from the inner accretion disk have been observed previously in MCG-05-23-016, the inferred high optical depth implies that a spherical or disk-like corona cannot be homogeneous.

79 ASTRONOMY AND ASTROPHYSICS↗

Fallon, NV FORGE well 21-31 Lithology, Mineral, Image Log, and Injection Test data

Attached is 5 datasets collected from Fallon FORGE well 21-31 located in Churchill County, Nevada collected and interpreted between Feburary 2018-January 2020. This submission includes 1) new lithology interpretation derived from petrographic thin sections of sidewall cores taken from well 21-31, 2) X-Ray Diffraction (XRD) interpretation of sidewall cores and cuttings from well 21-31, 3) Hyperspectral (Short-Wave Infrared and Long-Wave Infrared) interpretation of cuttings and sidewall cores from well 21-31, 4) Interpretation of Formation MicroImager (FMI) and Borehole Televiewer (BHTV) image logs for natural fractures and induced structures for well 21-31, 5) Injection test data and associated analytical model parameters from well testing of well 21-31.

15 GEOTHERMAL ENERGY↗

SESAME 96170, a solid-liquid equation of state for CeO2

I describe an equation of state (EOS) for the low-pressure solid phase and liquid phase of cerium (IV) oxide, CeO 2 . The models and parameters used to calculate the EOS are presented in detail, and I compare with data for the full-density crystal. Hugoniot data are available only for high-porosity powders, and I discuss difficulties in comparing with such data. I have constructed SESAME 96170, an EOS for cerium (IV) oxide that includes the ambient solid and liquid phases. The EOS extends over the full standard SESAME range, but should not be used at low temperatures and high densities because of the lack of a high-pressure solid phase. I have described the models used to compute the three terms of the EOS (cold curve, nuclear, and thermal electronic), and I have given the parameters used in the models. They were determined by comparison with experimental data at P = 1 atm, including the constant-pressure specific heat, coefficient of thermal expansion, and melting and boiling points. The EOS compares well with data in its intended range of validity, but the presence of high-frequency optical modes in its phonon spectrum limits the agreement of our models with thermal data. The next step is to construct a multiphase EOS that includes the low- and high-pressure solid phases and the liquid. The DAC data from Duclos will most strongly constrain the parameters of the high-pressure solid. A remaining issue is the comparison of the crystal-density EOS with experimental Hugoniot data, which are taken at much lower initial data because the samples are porous powders. A satisfactory means of modeling porosity, allowing comparison of theory and experiment, has not yet been produced.

36 MATERIALS SCIENCE↗

Predicting Execution Times for Disk-based and In-Situ Parallel Data Analytics (Final Technical Report)

In recent years, there has been a significant amount of interests in in-situ analytics on simulation programs. For a variety of reasons, it is desirable to be able to predict the execution time of an analytics program. At the same time, frameworks such as MapReduce have become popular for scientific data analytics. This paper focuses on developing performance models for predicting execution time of parallel data analytics, with a special emphasis on in-situ analytics. We take two distinct approach towards performance prediction. We first expand SKOPE (a SKeleton framewOrk for Performance Exploration) with performance models for disk data read, cache performance, and page fault penalty. Second, an analytical performance model is also developed. We have evaluated our performance prediction framework as well as the analytical model on three hardware setups with well-known data mining algorithms implemented in three programming paradigms, MapReduce, MATE (a MapReduce-like parallel system with an alternate API for multi-core environments) and Smart (a MapReduce-like framework for in-situ analytics). Results show that our performance prediction framework along with the incorporated performance models are capable of accurately predicting execution times for parallel scientific analytics on different hardware setups.

97 MATHEMATICS AND COMPUTING↗

Enabling X-ray free electron laser crystallography for challenging biological systems from a limited number of crystals

There is considerable potential for X-ray free electron lasers (XFELs) to enable determination of macromolecular crystal structures that are difficult to solve using current synchrotron sources. Prior XFEL studies often involved the collection of thousands to millions of diffraction images, in part due to limitations of data processing methods. We implemented a data processing system based on classical post-refinement techniques, adapted to specific properties of XFEL diffraction data. When applied to XFEL data from three different proteins collected using various sample delivery systems and XFEL beam parameters, our method improved the quality of the diffraction data as well as the resulting refined atomic models and electron density maps. Moreover, the number of observations for a reflection necessary to assemble an accurate data set could be reduced to a few observations. These developments will help expand the applicability of XFEL crystallography to challenging biological systems, including cases where sample is limited.

43 PARTICLE ACCELERATORS↗

Evaluation of a velocity-split solution of the Navier-Stokes equations for fighter forebodies

A velocity-splitting method of solving the three-dimensional Navier-Stokes equations, originally designed for afterbody flows, is examined for its applicability for predicting fighter forebody flows. Results from the AFTEND Code are compared with wind tunnel data for two fighter configurations at a Mach number of 0.9 and angles-of-attack from 0 deg to 20 deg. Results compare well with data, and in areas where data do not exist, the viscous AFTEND results show realistic effects of viscosity compared to inviscid predictions. The inviscid results themselves are in general superior to results obtained from a small-disturbance transonic potential code.

Yaros, S. F.↗

Study of spectral/radiometric characteristics of the Thematic Mapper for land use applications

The radiometric characteristics of LANDSAT 5 TM data were analyzed. Effects which were found earlier and quantified in LANDSAT 4 TM data were quantified for LANDSAT-5 data as well, including: scan-direction-related signal droop and scan correlated level shifts. Coincident LANDSAT 4 and 5 fully corrected (CCT-PT) TM data were analyzed, and band-by-band relationships between the two sensors were derived in terms of both signal counts and radiance.

Malila, W. A.↗

Transonic Experimental Observations of Abrupt Wing Stall on an F/A-18E Model (Invited)

A transonic wind tunnel test of an 8% F/A-18E model was conducted in the NASA Langley Research Center (LaRC) 16 ft Transonic Tunnel (16-ft TT) to investigate on-surface flow physics during stall. The technical approach employed focused on correlating static (or time-averaged) and unsteady wind-tunnel test data to the unsteady wing-stall events using force, moment, pressure, and pressure-sensitive-paint measurements. This paper focuses on data obtained on the pre-production configuration of the F/A-18E aircraft at Mach number of 0.90. The flow unsteadiness occurring on the wing as the wing went through the stall process was captured using the time history of balance and pressure measurements and by calculating the root mean square (RMS) for a number of instrument signals. The second step was to gather global perspectives on the pressures influencing the wing stall process. The abrupt wing stall experienced by the 8% F/A-18E Model was observed to be an unsteady event triggered by the rapid advancement of separation, which had migrated forward from the trailing edge, to the leading-edge flap hingeline over a very small increment in angle of attack. The angle of attack at which this stall occurred varied, from run to run, over an 1 deg increment. The abrupt wing stall was observed, using pressure-sensitive-paint, to occur simultaneously on both wing panels or asymmetrically. The pressure-sensitive paint data and wingroot bending moment data were essential in providing insight to the flow structures occurring over the wing and the possible asymmetry of those flow structures. A repeatability analysis conducted on eight runs of static data provided a quick and inexpensive examination of the unsteady aerodynamic characteristics of abrupt wing stall. The results of the repeatability analysis agreed extremely well with data obtained using unsteady measurement techniques. This approach could be used to identify test conditions for more complex unsteady data measurements using special instrumentation.

McMillin, S. Naomi↗

Transonic Experimental Observations of Abrupt Wing Stall on an F/A-l8E Model

A transonic wind tunnel test of an 8% F/A-18E model was conducted in the NASA Langley Research Center (LaRC) 16 ft Transonic Tunnel (16-ft TT) to investigate on-surface flow physics during stall. The technical approach employed focused on correlating static (or time-averaged) and unsteady wind-tunnel test data to the unsteady wing-stall events using force, moment, pressure, and pressure-sensitive-paint measurements. This paper focuses on data obtained on the pre-production configuration of the F/A-18E aircraft at Mach number of 0.90. The flow unsteadiness occurring on the wing as the wing went through the stall process was captured using the time history of balance and pressure measurements and by calculating the root mean square (RMS) for a number of instrument signals. The second step was to gather global perspectives on the pressures influencing the wing stall process. The abrupt wing stall experienced by the 8% F/A-18E Model was observed to be an unsteady event triggered by the rapid advancement of separation, which had migrated forward from the trailing edge, to the leading-edge flap hingeline over a very small increment in angle of attack. The angle of attack at which this stall occurred varied, from run to run, over an 1 degree increment. The abrupt wing stall was observed, using pressure-sensitive-paint, to occur simultaneously on both wing panels or asymmetrically. The pressure-sensitive paint data and wing-root bending moment data were essential in providing insight to the flow structures occurring over the wing and the possible asymmetry of those flow structures. A repeatability analysis conducted on eight runs of static data provided a quick and inexpensive examination of the unsteady aerodynamic characteristics of abrupt wing stall. The results of the repeatability analysis agreed extremely well with data obtained using unsteady measurement techniques. This approach could be used to identify test conditions for more complex unsteady data measurements using special instrumentation.

McMillin, S. Naomi↗

Mesozoic Deserts and CO2 Storage: The Glen Canyon Group, Utah, USA

For much of the Mesozoic an extensive desert environment extended across the Western Interior of the USA. These desert systems deposited vast dunefields, including one of the largest ergs preserved in the rock record. The Glen Canyon Group in Utah is a Triassic-Jurassic aged aeolian succession, consisting of thick, laterally extensive aeolian dune deposits, interdune lakes and oases, and dryland fluvial systems. These aeolian deposits have been identified as potential CO2 sequestration reservoirs. The Jurassic-aged Navajo Sandstone has been the subject of research into its potential as a CO2 reservoir, as well as naturally occurring CO2 seeps in the Green River area. It has excellent reservoir properties, consisting of thick sandstones with high porosity and permeability, and has industry data including well logs and core. It occurs in both outcrop and subcrop, allowing for comparison and sense checking of interpretations across small and large scales. The Triassic Wingate Sandstone has received much less attention, however it too is composed of thick aeolian dune deposits. Like the Navajo Sandstone, the Wingate Sandstone has industry data, and occurs in both outcrop and subcrop. Using extensive industry data which exists across Utah is an effective way to pivot from a hydrocarbon focus to CO2 injection, and so contribute to green energy and carbon neutral emission goals. Here we use historic industry data in conjunction with field work, to study the Navajo and Wingate Sandstones and their potential as CO2 reservoirs, in addition to increasing our understanding of lithologic and stratigraphic complexity in one of the most significant aeolian systems in the world.

Mahon, Elizabeth↗

Utah FORGE: Well 78B-32 Core Sample Petrographic Analysis Data

This dataset contains an overview of the petrographic, X-ray Diffraction and scanning electron microscopy analyses of core samples from Utah FORGE Well 78B-32 and related data as described in the .zip folder's Description below.

15 GEOTHERMAL ENERGY↗

Toward Design Principles for Diffusionless Transformations: The Frustrated Formation of Co–Co Bonds in a Low-Temperature Polymorph of GdCoSi 2

Diffusionless (or displacive) phase transitions allow inorganic materials to show exquisite responsiveness to external stimuli, as is illustrated vividly by the superelasticity, shape memory, and magnetocaloric effects exhibited by martensitic materials. In this Article, we present a new diffusionless transition in the compound GdCoSi 2 , whose origin in frustrated bonding points toward generalizable design principles for these transformations. We first describe the synthesis of GdCoSi 2 and the determination of its structure using single crystal X-ray diffraction. While previous studies based on powder X-ray diffraction assigned this compound to the simple CeNi 1–x Si 2 structure type (space group Cmcm), our structure solution reveals a superstructure variant (space group Pbcm) in which the Co sublattice is distorted to create zigzag chains of Co atoms. DFT-calibrated Hückel calculations, coupled with a reversed approximation Molecular Orbital (raMO) analysis, trace this superstructure to the use of Co–Co isolobal bonds to complete filled 18 electron configurations on the Co atoms, in accordance with the 18–n rule. The formation of these Co–Co bonds is partially impeded, however, by a small degree of electron transfer from Si-based electronic states to those with Co–Co σ* character. The incomplete success of Co–Co bond creation suggests that these interactions are relatively weak, opening the possibility of them being overcome by thermal energy at elevated temperatures. In fact, high-temperature powder and single crystal X-ray diffraction data, as well as differential scanning calorimetry, indicate that a reversible Pbcm to Cmcm transition occurs at about 380 K. This transition is diffusionless, and the available data point toward it being first-order. We expect that similar cases of frustrated interactions could be staged in other rare earth–transition metal–main group phases, providing a potentially rich source of compounds exhibiting diffusionless transformations and the unique properties these transitions mediate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis and Systematic Trends in Structure and Electrical Properties of [(SnSe) 1.15 ] m (VSe 2 ) 1 , m = 1, 2, 3, and 4

Four compounds [(SnSe)1.15]m(VSe2)1, where m = 1–4, were synthesized to explore the effect of increasing the distance between Se–V–Se dichalcogenide layers on electrical transport properties. These kinetically stable compounds were prepared using designed precursors that contained a repeating pattern of elemental layers with the nanoarchitecture of the desired product. XRD and STEM data revealed that the precursors self-assembled into the desired compounds containing a Se–V–Se dichalcogenide layer precisely separated by a SnSe layer. The 00l diffraction data are used to determine the position of the Sn, Se, and V planes along the c-axis, confirming that the average structure is similar to that observed in the STEM images, and the resulting data agrees well with results obtained from calculations based on density functional theory and a semiempirical description of van der Waals interactions. The in-plane diffraction data contains reflections that can be indexed as hk0 reflections coming from the two independent constituents. The SnSe layers diffract independently from one another and are distorted from the bulk structure to lower the surface free energy. All of the samples showed metallic-like behavior in temperature-dependent resistivity between room temperature and about 150 K. The electrical resistivity systematically increases as m increases. Below 150 K the transport data strongly indicates a charge density wave transition whose onset temperature systematically increases as m increases. This suggests increasing quasi-two-dimensional behavior as increasingly thick layers of SnSe separate the Se–V–Se layers. This is supported by electronic structure calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of high field effects on the steady-state current-voltage response of semi-insulating 4H-SiC for photoconductive switch applications

A model-based analysis of the steady-state, current-voltage response of semi-insulating 4H-SiC is carried out to probe the internal mechanisms, focusing on electric field driven effects. Relevant physical processes, such as multiple defects, repulsive potential barriers to electron trapping, band-to-trap impact ionization, and field-dependent detrapping, are comprehensively included. Results of our model match the available experimental data fairly well over orders of magnitude variation in the current density. A number of important parameters are also extracted in the process through comparisons with available data. Finally, based on our analysis, the possible presence of holes in the samples can be discounted up to applied fields as high as ∼275 kV/cm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Iron-group opacities for B stars

Frequency-dependent photon absorption and scattering transport cross-sections for iron-group elements were generated using a revised version of the opal opacity code. The calculations take advantage of advances in computers to generate improved atomic data as well as several fast algorithms developed for the computational demanding bound–bound spectrum. Additionally, the new iron group calculations are combined with the existing opal data for lighter elements to generate astrophysical opacities at matter conditions applicable to B stars. The results are slightly reduced Rosseland mean opacities of Population I stars at the peak of the Z-bump. The analysis explores several uncertainties related to the iron group opacities and includes comparisons with existing opal and OP results.

79 ASTRONOMY AND ASTROPHYSICS↗

Analytical equations for CT dose profiles derived using a scatter kernel of Monte Carlo parentage with broad applicability to CT dosimetry problems

Purpose: Knowledge of the complete axial dose profile f(z), including its long scatter tails, provides the most complete (and flexible) description of the accumulated dose in CT scanning. The CTDI paradigm (including CTDI{sub vol}) requires shift-invariance along z (identical dose profiles spaced at equal intervals), and is therefore inapplicable to many of the new and complex shift-variant scan protocols, e.g., high dose perfusion studies using variable (or zero) pitch. In this work, a convolution-based beam model developed by Dixon et al.[Med. Phys. 32, 3712-3728, (2005)] updated with a scatter LSF kernel (or DSF) derived from a Monte Carlo simulation by Boone [Med. Phys. 36, 4547-4554 (2009)] is used to create an analytical equation for the axial dose profile f(z) in a cylindrical phantom. Using f(z), equations are derived which provide the analytical description of conventional (axial and helical) dose, demonstrating its physical underpinnings; and likewise for the peak axial dose f(0) appropriate to stationary phantom cone beam CT, (SCBCT). The methodology can also be applied to dose calculations in shift-variant scan protocols. This paper is an extension of our recent work Dixon and Boone [Med. Phys. 37, 2703-2718 (2010)], which dealt only with the properties of the peak dose f(0), its relationship to CTDI, and its appropriateness to SCBCT. Methods: The experimental beam profile data f(z) of Mori et al.[Med. Phys. 32, 1061-1069 (2005)] from a 256 channel prototype cone beam scanner for beam widths (apertures) ranging from a = 28 to 138 mm are used to corroborate the theoretical axial profiles in a 32 cm PMMA body phantom. Results: The theoretical functions f(z) closely-matched the central axis experimental profile data{sup 11} for all apertures (a = 28 -138 mm). Integration of f(z) likewise yields analytical equations for all the (CTDI-based) dosimetric quantities of conventional CT (including CTDI{sub L} itself) in addition to the peak dose f(0) relevant to SCBCT (allowing direct cross-comparison between CT scan modes and mathematical proofs of several hypotheses of practical utility in CT dosimetry). A fast, analytical dose simulator{sup 6} is also demonstrated--successfully matching complex dose distributions measured using OSL and film dosimetry. Conclusions: The model described allows one to obtain analytical functions describing both the primary and scatter components of the axial dose profile. This model (using no empirical functions or adjustable fit parameters) provides a good match to the experimental data, as well as a complete analytical description of dose for both conventional (axial and helical) CT and cone beam CT. An efficient method whereby the complete data set for both modalities can be obtained from a single measurement of either CTDI{sub 100} or f(0) is illustrated. This method is also flexible--allowing calculation of heretofore unattainable doses for recently-introduced shift-variant protocols [e.g., variable pitch (irregular scan spacing), variable aperture, shuttle mode acquisition, and mA modulation schemes].

61 RADIATION PROTECTION AND DOSIMETRY↗

Model Evaluation Report for Corrective Action Unit 98: Frenchman Flat, Nevada National Security Site, Nye County, Nevada, Revision 1

Model evaluation focused solely on the PIN STRIPE and MILK SHAKE underground nuclear tests’ contaminant boundaries (CBs) because they had the largest extent, uncertainty, and potential consequences. The CAMBRIC radionuclide migration experiment also had a relatively large CB, but because it was constrained by transport data (notably Well UE-5n), there was little uncertainty, and radioactive decay reduced concentrations before much migration could occur. Each evaluation target and the associated data-collection activity were assessed in turn to determine whether the new data support, or demonstrate conservatism of, the CB forecasts. The modeling team—in this case, the same team that developed the Frenchman Flat geologic, source term, and groundwater flow and transport models—analyzed the new data and presented the results to a PER committee. Existing site understanding and its representation in numerical groundwater flow and transport models was evaluated in light of the new data and the ability to proceed to the CR stage of long-term monitoring and institutional control.

54 ENVIRONMENTAL SCIENCES↗