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Electron correlations in the cubic paramagnetic perovskite Sr ( V , Mn ) O 3 : Results from fully self-consistent self-energy embedding calculations

In this study, we use the thermodynamically consistent and conserving self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites SrVO 3 and SrMnO 3 . In the strongly correlated metallic SrVO 3 we find that the usual attribution of the satellite peaks at –1.8 eV to Hund or Hubbard physics in the t 2 g orbitals is inconsistent with our calculations. In the strongly correlated insulator SrMnO 3 we recover insulating behavior due to a feedback effect between the strongly correlated orbitals and the weakly correlated environment. Our calculation shows a systematic convergence of spectral features as the space of strongly correlated orbitals is enlarged, paving the way to a systematic parameter-free study of correlated perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Plasma-enhanced atomic layer deposition of titanium oxynitrides films: A comparative spectroscopic and electrical study

The process parameters' impact of the plasma-enhanced atomic layer deposition (PE-ALD) method on the oxygen to nitrogen (O/N) ratio in titanium oxynitride (TiO{sub x}N{sub y}) films was studied. Titanium(IV)isopropoxide in combination with NH{sub 3} plasma and tetrakis(dimethylamino)titanium by applying N{sub 2} plasma processes were investigated. Samples were characterized by the in situ spectroscopic ellipsometry, x-ray photoelectron spectroscopy, and electrical characterization (current–voltage: I-V and capacitance–voltage: C-V) methods. The O/N ratio in the TiO{sub x}N{sub y} films is found to be very sensitive for their electric properties such as conductivity, dielectric breakdown, and permittivity. Our results indicate that these PE-ALD film properties can be tuned, via the O/N ratio, by the selection of the process parameters and precursor/coreactant combination.

36 MATERIALS SCIENCE↗

CFD-DEM solution verification: Fixed-bed studies

Fixed (frozen) particle configurations are used to study CFD-DEM convergence behavior in the limit of infinite grid resolution. A filtering scheme based on solving a diffusion equation, i.e., a Gaussian kernel, is used to interpolate particle information to the continuum grid, free of cell size limitations. A regression method is used for Richardson extrapolation of the discrete solutions to the grid-free solution. The regression method is shown to predict accurate extrapolation curves in the presence of the observed oscillatory convergence behavior. The extrapolation curve is used to complete the solution verification process by quantifying the numerical uncertainty present in the calculations. Several numerical and model parameters are studied including the spatial discretization method, the kernel width and the mean drag law. Here, a manageable level of discretization error is found with relative discretization errors generally <4%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Carbon Dioxide Sealing Capacity: Textural or Compositional Controls? (Final Scientific/Technical Report)

This research project is aiming to assess the carbon dioxide sealing capacity of most common seal-rocks, such as shales and non-fractured limestones, by analyzing the role of textural and compositional parameters of those rocks. We hypothesize that sealing capacity is controlled by textural and/or compositional parameters of caprocks. In this research, we seek to evaluate the importance of textural and compositional parameters affecting the sealing capacity of caprocks. The conceptual framework involves two testable end-member hypotheses concerning the sealing capacity of carbon dioxide reservoir caprocks. Better understanding of the elements controlling sealing quality will advance our knowledge regarding the sealing capacity of shales and carbonates. Due to relatively low permeability, shale and non-fractured carbonate units are considered relatively impermeable formations which can retard reservoir fluid flow by forming high capillary pressure. Similarly, these unites can constitute reliable seals for carbon dioxide capture and sequestration purposes. This project is a part of the comprehensive project with the final aim of studying the caprock sealing properties and the relationship between microscopic and macroscopic characteristics of seal rocks in depleted gas fields of Oklahoma Panhandle. Through this study we examined various seal rock characteristics to infer about their respective effects on sealing capacity in special case of replacing reservoir fluid with super critical carbon dioxide (scCO 2 ). To assess the effect of textural and compositional properties on scCO 2 maximum retention column height we collected 30 representative core samples in caprock formations in three counties (Cimarron, Texas, Beaver) in Oklahoma Panhandle. Core samples were collected from various seal formations (e.g., Cherokee, Keys, Morrowan) at different depths. We studied the compositional and textural properties of the core samples using several techniques. Mercury Injection Porosimetry (MIP), Scanning Electron Microscopy SEM, and Sedigraph measurements are used to assess the pore-throat-size distribution, sorting, texture, and grain size of the samples. Also, displacement pressure at 10% mercury saturation (Pd) and graphically derived threshold pressure (P c ) were determined by MIP technique. SEM images were used for qualitative study of the minerals and pores texture of the core samples. Moreover, EDS (Energy Dispersive X-Ray Spectrometer), BET specific surface area, and Total Organic Carbon (TOC) measurements were performed to study various parameters and their possible effects on sealing capacity of the samples. We found that shales have the relatively higher average sealing threshold pressure (P c ) than carbonate and sandstone samples. Based on these observations, shale formations could be considered as a promising caprock in terms of retarding scCO 2 flow and leakage into above formations. We hypothesized that certain characteristics of shales (e.g., 3 fine pore size, pore size distribution, high specific surface area, and strong physical chemical interaction between wetting phase and mineral surface) make them an efficient caprock for sealing super critical CO 2 . We found that the displacement pressure at 10% mercury saturation could not be the ultimate representative of the sealing capacity of the rock sample. On the other hand, we believe that graphical method, introduced by Cranganu (2004) is a better indicator of the true sealing capacity. Based on statistical analysis of our samples from Oklahoma Panhandle we assessed the effects of each group of properties (textural and compositional) on maximum supercritical CO 2 height that can be hold by the caprock. We conclude that there is a relatively strong positive relationship (+.40 to +.69) between supercritical CO 2 column height based on P c and hard/ soft mineral content index (ratio of minerals with Mohs hardness more than 5 over minerals with Mohs hardness less than 5) in both shales and limestone samples. Average median pore radius and porosity display a strong negative correlation with supercritical CO 2 retention column height. Also, increasing bulk density is positively correlated with the supercritical CO 2 retention column height. One of the most important factors affecting sealing capacity and consequently the height of supercritical CO 2 column is sorting of the pore throats. We observed a strong positive correlation between pore throat sorting and height of CO 2 retention column, especially in shales. This correlation could not be observed in limestone samples. It suggests that the pore throat sorting is more controlling the sealing capacity in shales and shales with well sorted pore throats are the most reliable lithology as seal. We observed that Brunauer–Emmett–Teller (BET) surface area shows a very strong correlation with CO 2 retention column height in limestone samples while BET surface area did not display significant correlation in shales. Pore structure based on SEM micrographs exhibits strong correlation with CO 2 retention column height in limestones. Both intercrystalline and vuggy structures have negative correlations while intergranular texture has positive correlation in limestone with respect to CO 2 retention column height. Textural effects observed on SEM micrographs did not show statistically significant correlation with supercritical CO 2 retention column height in shale samples. Finally, we showed that increasing hard/soft mineral index is strongly correlated with the displacement pressure in limestone samples. Vuggy texture displays a relatively strong and negative correlation with displacement pressure values at 10% mercury saturation in shale samples.

54 ENVIRONMENTAL SCIENCES↗

GRAVITATIONAL-WAVE OBSERVATIONS MAY CONSTRAIN GAMMA-RAY BURST MODELS: THE CASE OF GW150914–GBM

The possible short gamma-ray burst (GRB) observed by Fermi /GBM in coincidence with the first gravitational-wave (GW) detection offers new ways to test GRB prompt emission models. GW observations provide previously inaccessible physical parameters for the black hole central engine such as its horizon radius and rotation parameter. Using a minimum jet launching radius from the Advanced LIGO measurement of GW 150914, we calculate photospheric and internal shock models and find that they are marginally inconsistent with the GBM data, but cannot be definitely ruled out. Dissipative photosphere models, however, have no problem explaining the observations. Based on the peak energy and the observed flux, we find that the external shock model gives a natural explanation, suggesting a low interstellar density (∼10{sup −3} cm{sup −3}) and a high Lorentz factor (∼2000). We only speculate on the exact nature of the system producing the gamma-rays, and study the parameter space of a generic Blandford–Znajek model. If future joint observations confirm the GW–short-GRB association we can provide similar but more detailed tests for prompt emission models.

79 ASTRONOMY AND ASTROPHYSICS↗

Radar multipath study for rain-on-radome experiments at the Aircraft Landing Dynamics Facility

An analytical study to determine the feasibility of a rain-on-radome experiment at the Aircraft Landing Dynamics Facility (ALDF) at the Langley Research Center is described. The experiment would measure the effects of heavy rain on the transmission of X-band weather radar signals, looking in particular for sources of anomalous attenuation. Feasibility is determined with regard to multipath signals arising from the major structural components of the ALDF. A computer program simulates the transmit and receive antennas, direct-path and multipath signals, and expected attenuation by rain. In the simulation, antenna height, signal polarization, and rainfall rate are variable parameters. The study shows that the rain-on-radome experiment is feasible with regard to multipath signals. The total received signal, taking into account multipath effects, could be measured by commercially available equipment. The study also shows that horizontally polarized signals would produce better experimental results than vertically polarized signals.

Mackenzie, Anne I.↗

Simulation of the conditions of wave excitation for the optimization of the lower hybrid current drive in the Globus-M spherical tokamak

At present, the method of current drive by means of lower hybrid waves is not applied to low-aspect-ratio tokamaks, because, in the traditional approach, it would be necessary to use waves with a very high slowing-down factor. However, studies of new transparency regions for waves in a nonuniform magnetized plasma, performed earlier at the Ioffe Physical Technical Institute, Russian Academy of Sciences, made it possible to develop an approach in which slow waves are excited in the poloidal (rather than toroidal) direction. In this approach, moderately slowed-down waves first propagate in the poloidal direction, but then turn in the toroidalal direction and get into the dense plasma. In this work, this approach is further developed using numerical methods. In particular, the influence of the density profile in the edge plasma on the efficiency of wave excitation for given antenna parameters is studied in detail.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Seismic Analysis of Spatio-Temporal Fracture Generation During EGS Resource Development

This DOE GTO funded project was a collaborative effort between Array Information Technology and the University of California at Berkeley. The project goal is to improve technology to assess in-situ stress magnitude and orientation, kinematic fracture parameters, rupture size, rupture orientation as well as temporal changes and volumetric distribution of the injected fluid during Enhanced Geothermal System (EGS) resource development. The project leveraged high-frequency seismic data recorded by the LBNL 34-station permanent geophone network and seismic broadband data recorded by a temporary 33-station seismometer network that operated in The Geysers during the injection phase of the DOE GTO funded EGS demonstration project at the well Prati-32. The operation of the broadband network with high station density and good azimuthal coverage to monitor the injection phase produced an unprecedented dataset that is typically unavailable for EGS operations. The two datasets offer the advantages of studying the parameters under investigation over a broader frequency band and the higher sensitivity of the broadband seismometers resulted in a richer dataset with a lower magnitude of completeness. Moment tensor (MT) inversion have been employed to develop a catalog of earthquake source solutions including moment tensor and finite source rupture area. This resulted in a 168-event waveform-based seismic moment tensor catalog for events 0.7≤Mw≤3.9 based on a semi-automated moment tensor analysis technique. The MT solutions were used for in-situ stress estimation during the EGS injection phases. We found an approximate 15-degree counterclockwise rotation of the least compressive stress sigma-3, and a rotation of the maximum compressive stress sigma-1 toward the vertical as the injected volume of water increased. We developed a rupture-area magnitude scaling relationship of The Geysers earthquakes obtained from finite-source inversion for fault slip that reveals a very high correlation to published results. Based on the rupture area-magnitude relationship we mapped Mw from the LBNL earthquake catalog to estimate the activated fracture area, its location and orientation within the injection volume of Prati-32. The double-difference Wadati (DDW) technique was applied to high-accuracy P- and S-wave differential travel times derived from waveform cross correlation to image fluid saturation in the subsurface based on Vp/Vs-ratio. The recently developed technique has been applied to estimate temporal changes of fluid distribution in fault zones and in volcanic regions but not yet in engineered geo-reservoirs. The improvement of the technology includes high-resolution waveform cross correlation applied to the high-quality datasets with lower magnitude of completeness resulting in a higher number of recorded events. The improvement allowed to estimate both, the spatial and temporal distribution of injected fluids and the state of the injected fluid during reservoir stimulation. Results of the DDW analysis revealed the development of an injection-derived steam plume during the early injection phase, particularly in the northern part of the Prati-32 study area.

15 GEOTHERMAL ENERGY↗

Geometric phase and entanglement of Raman photon pairs in the presence of photonic band gap

Robustness of the geometric phase (GP) with respect to different noise effects is a basic condition for an effective quantum computation. Here, we propose a useful quantum system with real physical parameters by studying the GP of a pair of Stokes and anti-Stokes photons, involving Raman emission processes with and without photonic band gap (PBG) effect. We show that the properties of GP are very sensitive to the change of the Rabi frequency and time, exhibiting collapse phenomenon as the time becomes significantly large. The system allows us to obtain a state which remains with zero GP for longer times. This result plays a significant role to enhance the stabilization and control of the system dynamics. Finally, we investigate the nonlocal correlation (entanglement) between the pair photons by taking into account the effect of different parameters. An interesting correlation between the GP and entanglement is observed showing that the PBG stabilizes the fluctuations in the system and makes the entanglement more robust against the change of time and frequency.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An Investigation of the Influence of Urban Areas on Rainfall Using the TRMM Satellite and a Cloud-Mesoscale Model

A recent paper by Shepherd and Pierce (in press at Journal of Applied Meteorology) used rainfall data from the Precipitation Radar on NASA's Tropical Rainfall Measuring Mission's (TRMM) satellite to identify warm season rainfall anomalies downwind of major urban areas. Data (PR) were employed to identify warm season rainfall (1998-2000) patterns around Atlanta, Montgomery, Nashville, San Antonio, Waco, and Dallas. Results reveal an average increase of approx. 28% in monthly rainfall rates within 30-60 kilometers downwind of the metropolis with a modest increase of 5.6% over the metropolis. Portions of the downwind area exhibit increases as high as 51%. The percentage changes are relative to an upwind control area. It was also found that maximum rainfall rates in the downwind impact area exceeded the mean value in the upwind control area by 48%-116%. The maximum value was generally found at an average distance of 39 km from the edge of the urban center or 64 km from the center of the city. Results are consistent with METROMEX studies of St. Louis almost two decades ago and with more recent studies near Atlanta. A convective-mesoscale model with extensive land-surface processes is currently being employed to (a) determine if an urban heat island (UHI) thermal perturbation can induce a dynamic response to affect rainfall processes and (b) quantify the impact of the following three factors on the evolution of rainfall: (1) urban surface roughness, (2) magnitude of the UHI temperature anomaly, and (3) physical size of the UHI temperature anomaly. The sensitivity experiments are achieved by inserting a slab of land with urban properties (e.g. roughness length, albedo, thermal character) within a rural surface environment and varying the appropriate lower boundary condition parameters. The study will discuss the feasibility of utilizing satellite-based rainfall estimates for examining rainfall modification by urban areas on global scales and over longer time periods. The talk also introduces very preliminary results from the modeling component of the study. Such research has implications for weather forecasting, urban planning, water resource management, and understanding human impact on the environment and climate.

Shepherd, J. Marshall↗

SHJAR Jet Noise Data and Power Spectral Laws

High quality jet noise spectral data measured at the Aeroacoustic Propulsion Laboratory at the NASA Glenn Research Center is used to examine a number of jet noise scaling laws. Configurations considered in the present study consist of convergent and convergent-divergent axisymmetric nozzles. The measured spectral data are shown in narrow band and cover 8193 equally spaced points in a typical Strouhal number range of 0.0 to 10.0. The measured data are reported as lossless (i.e., atmospheric attenuation is added to measurements), and at 24 equally spaced angles (50deg to 165deg) on a 100-diameter (200-in.) arc. Following the work of Viswanathan, velocity power factors are evaluated using a least squares fit on spectral power density as a function of jet temperature and observer angle. The goodness of the fit and the confidence margins for the two regression parameters are studied at each angle, and alternative relationships are proposed to improve the spectral collapse when certain conditions are met. As an immediate application of the velocity power laws, spectral density in shockcontaining jets are decomposed into components attributed to jet mixing noise and shock noise. From this analysis, jet noise prediction tools can be developed with different spectral components derived from different physics.

Khavaran, Abbas↗

An experimental study of near wall flow parameters in the blade end-wall corner region

The near wall flow parameters in the blade end-wall corner region is investigated. The blade end-wall corner region was simulated by mounting an airfoil section (NACA 65-015 base profile) symmetric blades on both sides of the flat plate with semi-circular leading edge. The initial 7 cm from the leading edge of the flat plate was roughened by gluing No. 4 floor sanding paper to artificially increase the boundary layer thickness on the flat plate. The initial flow conditions of the boundary layer upstream of the corner region are expected to dictate the behavior of flow inside the corner region. Therefore, an experimental investigation was extended to study the combined effect of initial roughness and increased level of free stream turbulence on the development of a 2-D turbulent boundary layer in the absence of the blade. The measurement techniques employed in the present investigation included, the conventional pitot and pitot-static probes, wall taps, the Preston tube, piezoresistive transducer and the normal sensor hot-wire probe. The pitot and pitot-static probes were used to obtain mean velocity profile measurements within the boundary layer. The measurements of mean surface static pressure were obtained with the surface static tube and the conventional wall tap method. The wall shear vector measurements were made with a specially constructed Preston tube. The flush mounted piezoresistive type pressure transducer were employed to measure the wall pressure fluctuation field. The velocity fluctuation measurements, used in obtaining the wall pressure-velocity correlation data, were made with normal single sensor hot-wire probe. At different streamwise stations, in the blade end-wall corner region, the mean values of surface static pressure varied more on the end-wall surface in the corner region were mainly caused by the changes in the curvature of the streamlines. The magnitude of the wall shear stress in the blade end-wall corner region increased significantly in the close vicinity of the corner line. The maximum value of the wall shear stress and its location from the corner line, on both the surfaces forming the corner region, were observed to change along the corner. These observed changes in the maximum values of the wall shear stress and its location from the corner line could be associated with the stretching and attenuation of the horseshoe vortex. The wall shear stress vectors in the blade end-wall corner region were observed to be more skewed on the end-wall surface as compared to that on the blade surface. The differences in the wall shear stress directions obtained with the Preston tube and flow visualization method were within the range in which the Preston tube was found to be insensitive to the yaw angle.

Bhargava, Rakesh K.↗

A study of sound generation in subsonic rotors, volume 1

A model for the prediction of wake related sound generation by a single airfoil is presented. It is assumed that the net force fluctuation on an airfoil may be expressed in terms of the net momentum fluctuation in the near wake of the airfoil. The forcing function for sound generation depends on the spectra of the two point velocity correlations in the turbulent region near the airfoil trailing edge. The spectra of the two point velocity correlations were measured for the longitudinal and transverse components of turbulence in the wake of a 91.4 cm chord airfoil. A scaling procedure was developed using the turbulent boundary layer thickness. The model was then used to predict the radiated sound from a 5.1 cm chord airfoil. Agreement between the predicted and measured sound radiation spectra was good. The single airfoil results were extended to a rotor geometry, and various aerodynamic parameters were studied.

Chalupnik, J. D.↗

Numerical study of ribbon-induced transition in Blasius flow

The early three-dimensional stages of transition in the Blasius boundary layer are studied by numerical solution of the Navier-Stokes equations. A finite-amplitude two-dimensional wave and low-amplitude three-dimensional random disturbances are introduced. Rapid amplification of the three-dimensional components is observed and leads to transition. For intermediate amplitudes of the two-dimensional wave the breakdown is of subharmonic type, and the dominant spanwise wavenumber increases with the amplitude. For high amplitudes the energy of the fundamental mode is comparable to the energy of the subharmonic mode, but never dominates it; the breakdown is of mixed type. Visualizations, energy histories, and spectra are presented. The sensitivity of the results to various physical and numerical parameters is studied. The agreement with experimental and theoretical results is discussed.

Spalart, Philippe R.↗

Parametric Study of Cyclic Plasticity Behavior in a Directionally Solidified Superalloy with Partial Recrystallization by Crystal Plasticity Finite Element Simulation

To understand the influence of recrystallization on the low-cycle fatigue behavior of directionally solidified nickel-based DZ4 superalloy, crystal plasticity-based finite element (CPFE) analysis was carried out to study the cyclic plastic behaviors. Using the design of experiments (DOE) technique, a series of CPFE simulations were designed and performed for DZ4 superalloy with recrystallized grains to examine the cyclic plastic shear deformation at the carbide/matrix interface, at the recrystallized grain boundary/matrix, and in the matrix. Seven influence factors, i.e., applied strain, strain ratio, carbide modulus, dwell time, misorientation angle, carbide aspect ratio, and carbide size, were considered, and the effects of which were quantitatively evaluated by the maximum accumulated plastic shear strains via CPFE-based DOE analysis. The results showed that carbide and recrystallized grain boundary had competitively significant effects on fatigue crack initiation. Applied strain was the most influential parameter among all the studied parameters.

36 MATERIALS SCIENCE↗

Numerical simulation of boundary layers. Part 2: Ribbon-induced transition in Blasius flow

The early three-dimensional stages of transition in Blasius boundary layers are studied by numerical solution of the Navier-Stokes equations. A finite-amplitude two-dimensional wave and random low-amplitude three-dimensional disturbances are introduced. Rapid amplification of the three-dimensional components is observed and leads to transition. For intermediate amplitudes of the two-dimensional wave the breakdown is of subharmonic type, and the dominant spanwise wave number increases with the amplitude. For high amplitudes the energy of the fundamental mode is comparable to the energy of the subharmonic mode, but never dominates it; the breakdown is of mixed type. Visualizations, energy histories, and spectra are presented. The sensitivity of the results to various physical and numerical parameters is studied. Agreement with experimental and theoretical results is discussed.

Spalart, P.↗

Numerical Study of a Passive Wedge Absorber System for Momentum Selection of Muon Beams

The Muon g-2 experiment aims to measure the anomalous magnetic moment of the muon with higher precision than previous experiments. In order to do this muons are created from protons hitting the target and are then sent to the M4 and M5 lines to be injected into the storage ring. The storage ring only accepts muons with momentum within 0.2% of 3094 MeV/c. In order to decrease the number of lost muons a wedge was placed in the M5 beam line to utilize the properties of ionization cooling to create a more uniform momentum spread. Previous simulations predicted a much larger gain of storable muons than the experimental results showed. In order to determine the cause of this discrepancy, simulations were run using a GEANT4 based code to track muons through the M4 and M5 lines, the inflector, and the storage ring while adjusting the orientation, material, geometrical parameters and studying the performance of this wedge for a wide range of incoming muon energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Low-cost spray-processed Ag{sub 1−x}Cu{sub x}InS{sub 2} nano-films: Structural and functional investigation within the Lattice Compatibility Theory framework

Highlights: • Cu{sub x}Ag{sub 1−x}InS{sub 2} with a minimal lattice mismatch between absorbers and buffers. • The lattice compatibility for understanding silver–copper kinetics. • Controlled and enhanced spray pyrolisis method as a low-cost synthesis protocol. - Abstract: This work deals with some structural and optical investigations about Cu{sub x}Ag{sub 1−x}InS{sub 2} alloys sprayed films and the beneficial effect of copper incorporation in AgInS{sub 2} ternary matrices. The main purpose of this work is to obtain the band gap energy E{sub g} as well as different lattice parameters. The studied properties led to reaching minimum of lattice mismatch between absorber and buffer layers within solar cell devices. As a principal and original finding, the lattice compatibility between both silver and copper indium disulfide structures has been proposed as a guide for understanding kinetics of these materials crystallization.

36 MATERIALS SCIENCE↗