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DOE OSTI2021

Utilizing Environmental Tracers to Reduce Groundwater Flow and Transport Model Parameter Uncertainties

Abstract Non‐uniqueness in groundwater model calibration is a primary source of uncertainty in groundwater flow and transport predictions. In this study, we investigate the ability of environmental tracer information to constrain groundwater model parameters. We utilize a pilot point calibration procedure conditioned to subsets of observed data including: liquid pressures, tritium ( 3 H), chlorofluorocarbon‐12 (CFC‐12), and sulfur hexafluoride (SF 6 ) concentrations; and groundwater apparent ages inferred from these environmental tracers, to quantify uncertainties in the heterogeneous permeability fields and infiltration rates of a steady‐state 2‐D synthetic aquifer and a transient 3‐D model of a field site located near Riverton, Wyoming (USA). To identify the relative data worth of each observation data type, the post‐calibration uncertainties of the optimal parameters for a given observation subset are compared to that from the full observation data set. Our results suggest that the calibration‐constrained permeability field uncertainties are largest when liquid pressures are used as the sole calibration data set. We find significant reduction in permeability uncertainty and increased predictive accuracy when the environmental tracer concentrations, rather than apparent groundwater ages, are used as calibration targets in the synthetic model. Calibration of the Riverton field site model using environmental tracer concentrations directly produces infiltration rate estimates with the lowest uncertainties, however; permeability field uncertainties remain similar between the environmental tracer concentration and apparent groundwater age calibration scenarios. This work provides insight on the data worth of environmental tracer information to calibrate groundwater models and highlights potential benefits of directly assimilating environmental tracer concentrations into model parameter estimation procedures.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1989

The role of topography in geodetic gravity field modelling

Masses associated with the topography, bathymetry, and its isostatic compensation are a dominant source of gravity field variations, especially at shorter wavelengths. On global scales the topographic/isostatic effects are also significant, except for the lowest harmonics. In practice, though, global effects need not be taken into account as such effects are included in the coefficients of the geopotential reference fields. On local scales, the short-wavelength gravity variations due to the topography may, in rugged terrain, be an order of magnitude larger than other effects. In such cases, explicit or implicit terrain reduction procedures are mandatory in order to obtain good prediction results. Such effects may be computed by space-domain integration or by fast Fourier transformation (FFT) methods. Numerical examples are given for areas of the Canadian Rockies. In principle, good knowledge of the topographic densities is required to produce the smoothest residual field. Densities may be determined from sample measurements or by gravimetric means, but both are somewhat troublesome methods in practice. The use of a standard density, e.g., 2.67 g/cu cm, may often yield satisfactory results and may be put within a consistent theoretical framework. The independence of density assumptions is the key point of the classical Molodensky approach to the geodetic boundary value problem. The Molodensky solutions take into account that land gravity field observations are done on a non-level surface. Molodensky's problem may be solved by integral expansions or more effective FFT methods, but the solution should not be intermixed with the use of terrain reductions. The methods are actually complimentary and may both be required in order to obtain the smoothest possible signal, least prone to aliasing and other effects coming from sparse data coverage, typical of rugged topography.

Forsberg, R.↗

NASA NTRS1998

Application of Pressure Sensitive Paint to Confined Flow at Mach Number 2.5

Pressure sensitive paint (PSP) is a novel technology that is being used frequently in external aerodynamics. For internal flows in narrow channels, and applications at elevated nonuniform temperatures, however, there are still unresolved problems that complicate the procedures for calibrating PSP signals. To address some of these problems, investigations were carried out in a narrow channel with supersonic flows of Mach 2.5. The first set of tests focused on the distribution of the wall pressure in the diverging section of the test channel downstream of the nozzle throat. The second set dealt with the distribution of wall static pressure due to the shock/wall interaction caused by a 25 deg. wedge in the constant Mach number part of the test section. In addition, the total temperature of the flow was varied to assess the effects of temperature on the PSP signal. Finally, contamination of the pressure field data, caused by internal reflection of the PSP signal in a narrow channel, was demonstrated. The local wall pressures were measured with static taps, and the wall pressure distributions were acquired by using PSP. The PSP results gave excellent qualitative impressions of the pressure field investigated. However, the quantitative results, specifically the accuracy of the PSP data in narrow channels, show that improvements need to be made in the calibration procedures, particularly for heated flows. In the cases investigated, the experimental error had a standard deviation of +/- 8.0% for the unheated flow, and +/- 16.0% for the heated flow, at an average pressure of 11 kpa.

Lepicovsky, J.↗

DOE OSTI2012

Stochastic approach to correlations beyond the mean field with the Skyrme interaction

Large-scale calculation based on the multi-configuration Skyrme density functional theory is performed for the light N=Z even-even nucleus, {sup 12}C. Stochastic procedures and the imaginary-time evolution are utilized to prepare many Slater determinants. Each state is projected on eigenstates of parity and angular momentum. Then, performing the configuration mixing calculation with the Skyrme Hamiltonian, we obtain low-lying energy-eigenstates and their explicit wave functions. The generated wave functions are completely free from any assumption and symmetry restriction. Excitation spectra and transition probabilities are well reproduced, not only for the ground-state band, but for negative-parity excited states and the Hoyle state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Tunable 3D Nanoresonators for Gas-Sensing Applications

Here, the detection of gas species with high sensitivity is a significant task for fundamental sciences as well as for industrial applications. Similarly, the ongoing trend for device miniaturization brings new challenges for advanced fabrication including on–demand functionality tuning. Following this motivation, here the additive, direct–write fabrication of freestanding 3D nanoarchitectures is introduced, which can be brought into mechanical resonance via electric AC fields. Specifically, this study focuses on the 3D nanostructure synthesis, the subsequent determination of Young's modulus, and demonstrates a postgrowth procedure, which can precisely tune the material modulus. As–fabricated resonators reveal a Young's modulus of 9–13 GPa, which can be increased by a factor greater than 5. Next, the electric readout of the resonance behavior is demonstrated via electric current measurement as an essential element for the resonance sensor applications. Finally, the implications of gas–physisorption and gas–chemisorption on the resonance frequencies are studied, representing a proof–of–principle for sensing applications by the here presented approach.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Experimental Assessment of a Novel Touchless Interface for Intraprocedural Imaging Review

Purpose: To examine the feasibility of a novel technology platform that enables real-time touchless interaction with radiology images in both a simulated and an actual clinical setting. Materials and Methods: This platform offers three different modes for image interaction. The gesture recognition mode uses a depth camera to detect the user’s hand gestures which are translated to image manipulation commands. The light projection mode uses the same camera to detect finger point-and-tap movements above the icons which are projected on a surface to activate the commands. The capacitive sensing mode is enabled by a handheld, portable device, over which finger movements are detected by capacitive sensors to control the image review. Following initial feedback, light projection and capacitive sensing modes were selected for further testing by comparing with the conventional mode of image interaction in time trials for performing a series of standardized image manipulation tasks. Finally, the usability of the technology platform was examined in actual clinical procedures. Results: The light projection and the capacitive sensing modes were evaluated in the time trials and exhibited 60% and 71% reduction in time, respectively, relative to the control mode (p < 0.001). Clinical feasibility for this platform was demonstrated in three actual interventional radiology cases. Conclusion: Accessing, navigating, and extracting relevant information from patient images intraprocedurally are cumbersome and time-consuming tasks that affect safety, efficiency, and decision-making during image-guided procedures. This study demonstrated that the novel technology addressed this issue by allowing touchless interaction with these images in the sterile field.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2023

Thermofield Theory for Finite-Temperature Electronic Structure

Wave function methods have offered a robust, systematically improvable means to study ground-state properties in quantum many-body systems. Theories like coupled cluster and their derivatives provide highly accurate approximations to the energy landscape at a reasonable computational cost. Analogues of such methods to study thermal properties, though highly desirable, have been lacking because evaluating thermal properties involve a trace over the entire Hilbert space, which is a formidable task. Besides, excited-state theories are generally not as well studied as ground-state ones. In this mini-review, we present an overview of a finite-temperature wave function formalism based on thermofield dynamics to overcome these difficulties. Thermofield dynamics allows us to map the equilibrium thermal density matrix to a pure state, i.e., a single wave function, albeit in an expanded Hilbert space. Ensemble averages become expectation values over this so-called thermal state. Around this thermal state, we have developed a procedure to generalize ground-state wave function theories to finite temperatures. As explicit examples, we highlight formulations of mean-field, configuration interaction, and coupled cluster theories for thermal properties of Fermions in the grand-canonical ensemble. To assess the quality of these approximations, we also show benchmark studies for the one-dimensional Hubbard model, while comparing against exact results. We will see that the thermal methods perform similarly to their ground-state counterparts, while merely adding a prefactor to the asymptotic computational cost. Furthermore, they also inherit all the properties, good or bad, from the ground-state methods, signifying the robustness of our formalism and the scope for future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Scattering of radio frequency waves by blobs in tokamak plasmas

The density fluctuations and blobs present in the edge region of magnetic fusion devices can scatter radio frequency (RF) waves through refraction, reflection, diffraction, and coupling to other plasma waves. This, in turn, affects the spectrum of the RF waves and the electromagnetic power that reaches the core of the plasma. The usual geometric optics analysis of RF scattering by density blobs accounts for only refractive effects. It is valid when the amplitude of the fluctuations is small, of the order of 10%, compared to the background density. In experiments, density fluctuations with much larger amplitudes are routinely observed, so that a more general treatment of the scattering process is needed. In this paper, a full-wave model for the scattering of RF waves by a blob is developed. The full-wave approach extends the range of validity well beyond that of geometric optics; however, it is theoretically and computationally much more challenging. The theoretical procedure, although similar to that followed for the Mie solution of Maxwell's equations, is generalized to plasmas in a magnetic field. Besides diffraction and reflection, the model includes coupling to a different plasma wave than the one imposed by the external antenna structure. In the model, it is assumed that the RF waves interact with a spherical blob. The plasma inside and around the blob is cold, homogeneous, and imbedded in a uniform magnetic field. After formulating the complete analytical theory, the effect of the blob on short wavelength electron cyclotron waves and longer wavelength lower hybrid waves is studied numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

Automation of the guiding center expansion

We report on the use of the recently developed Mathematica package VEST (Vector Einstein Summation Tools) to automatically derive the guiding center transformation. Our Mathematica code employs a recursive procedure to derive the transformation order-by-order. This procedure has several novel features. (1) It is designed to allow the user to easily explore the guiding center transformation's numerous non-unique forms or representations. (2) The procedure proceeds entirely in cartesian position and velocity coordinates, thereby producing manifestly gyrogauge invariant results; the commonly used perpendicular unit vector fields e{sub 1},e{sub 2} are never even introduced. (3) It is easy to apply in the derivation of higher-order contributions to the guiding center transformation without fear of human error. Our code therefore stands as a useful tool for exploring subtle issues related to the physics of toroidal momentum conservation in tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Acoustic scattering of a cylindrical quasi-Gaussian beam with arbitrary incidence focused on a rigid elliptical cylinder

Using the partial-wave series expansion method in cylindrical coordinates, a formal analytical solution for the acoustical scattering of a 2D cylindrical quasi-Gaussian beam with an arbitrary angle of incidence θ{sub i}, focused on a rigid elliptical cylinder in a non-viscous fluid, is developed. The cylindrical focused beam expression is an exact solution of the Helmholtz equation. The scattering coefficients for the elliptical cylinder are determined by forcing the expression of the total (incident + scattered) field to satisfy the Neumann boundary condition for a rigid immovable surface, and performing the product of matrices involving an inversion procedure. Computations for the matrices elements require a single numerical integration procedure for each partial-wave mode. Numerical results are performed with particular emphasis on the focusing properties of the incident beam and its angle of incidence with respect to the major axis a of the ellipse as well as the aspect ratio a/b where b is the minor axis (assuming a > b). The method is validated and verified against previous results obtained via the T-matrix for plane waves. The present analysis is the first to consider an acoustical beam on an elliptic cylinder of variable cross-section as opposed to plane waves of infinite extent. Other 2D non-spherical and Chebyshev surfaces are mentioned that may be examined throughout this analytical formalism assuming a small deformation parameter ε.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

IS THERE AN UNACCOUNTED FOR EXCESS IN THE EXTRAGALACTIC COSMIC RADIO BACKGROUND?

Analyses of the distribution of absolute brightness temperature over the radio sky have recently led to suggestions that there exists a substantial unexplained extragalactic radio background. Consequently, there have been numerous attempts to place constraints on plausible origins of this 'excess'. We suggest here that this expectation of a large extragalactic background, over and above that contributed by the sources observed in the surveys, is based on an extremely simple geometry adopted to model the Galactic emission and the procedure adopted in the estimation of the extragalactic contribution. In this paper, we derive the extragalactic radio background from wide-field radio images using a more realistic modeling of the Galactic emission and decompose the sky maps at 150, 408, and 1420 MHz into anisotropic Galactic and isotropic extragalactic components. The anisotropic Galactic component is assumed to arise from a highly flattened spheroid representing the thick disk, embedded in a spherical halo, both centered at the Galactic center, along with Galactic sources, filamentary structures, and Galactic loops and spurs. All components are constrained to be positive and the optimization scheme minimizes the sky area occupied by the complex filaments. We show that in contrast with simple modeling of Galactic emission as a plane parallel slab, the more realistic modeling yields estimates for the uniform extragalactic brightness that are consistent with expectations from known extragalactic radio source populations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

THE CARNEGIE-IRVINE GALAXY SURVEY. I. OVERVIEW AND ATLAS OF OPTICAL IMAGES

The Carnegie-Irvine Galaxy Survey (CGS) is a long-term program to investigate the photometric and spectroscopic properties of a statistically complete sample of 605 bright (B{sub T} < 12.9 mag), southern ({delta} < 0 Degree-Sign ) galaxies using the facilities at Las Campanas Observatory. This paper, the first in a series, outlines the scientific motivation of CGS, defines the sample, and describes the technical aspects of the optical broadband (BVRI) imaging component of the survey, including details of the observing program, data reduction procedures, and calibration strategy. The overall quality of the images is quite high, in terms of resolution (median seeing {approx}1''), field of view (8.'9 Multiplication-Sign 8.'9), and depth (median limiting surface brightness {approx}27.5, 26.9, 26.4, and 25.3 mag arcsec{sup -2} in the B, V, R, and I bands, respectively). We prepare a digital image atlas showing several different renditions of the data, including three-color composites, star-cleaned images, stacked images to enhance faint features, structure maps to highlight small-scale features, and color index maps suitable for studying the spatial variation of stellar content and dust. In anticipation of upcoming science analyses, we tabulate an extensive set of global properties for the galaxy sample. These include optical isophotal and photometric parameters derived from CGS itself, as well as published information on multiwavelength (ultraviolet, U-band, near-infrared, far-infrared) photometry, internal kinematics (central stellar velocity dispersions, disk rotational velocities), environment (distance to nearest neighbor, tidal parameter, group, or cluster membership), and H I content. The digital images and science-level data products will be made publicly accessible to the community.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Calculation of permanent magnet arrangements for stellarators: a linear least-squares method

A problem arising in several engineering areas is to design magnets outside a volume that produce a desired magnetic field inside it. One instance of this problem is stellarator design, where it has recently been shown that permanent magnets can provide the required shaping of the magnetic field. Here we demonstrate a robust and efficient algorithm REGCOIL_PM to calculate the spatial distribution of these permanent magnets. The procedure involves a small number of fixed-point iterations, with a linear least-squares problem solved at each step. Furthermore, the method exploits the Biot–Savart Law's exact linearity in magnetization density and approximate linearity in magnet size, for magnets far from the target region. No constraint is placed on the direction of magnetization, so Halbach solutions are found naturally, and the magnitude of the magnetization can be made uniformly equal to a target value.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Systematic renormalization of the effective theory of Large Scale Structure

A perturbative description of Large Scale Structure is a cornerstone of our understanding of the observed distribution of matter in the universe. Renormalization is an essential and defining step to make this description physical and predictive. Here we introduce a systematic renormalization procedure, which neatly associates counterterms to the UV-sensitive diagrams order by order, as it is commonly done in quantum field theory. As a concrete example, we renormalize the one-loop power spectrum and bispectrum of both density and velocity. In addition, we present a series of results that are valid to all orders in perturbation theory. First, we show that while systematic renormalization requires temporally non-local counterterms, in practice one can use an equivalent basis made of local operators. We give an explicit prescription to generate all counterterms allowed by the symmetries. Second, we present a formal proof of the well-known general argument that the contribution of short distance perturbations to large scale density contrast δ and momentum density π(k) scale as k{sup 2} and k, respectively. Third, we demonstrate that the common practice of introducing counterterms only in the Euler equation when one is interested in correlators of δ is indeed valid to all orders.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Band or Polaron: The Hole Conduction Mechanism in the p-Type Spinel Rh 2ZnO4

Given the emerging role of oxide spinels as hole conductors, we discuss in this article the traditional vs. new methodologies of determining the type of conduction mechanism at play - localized polaronic vs. band-like transport. Applying (i) traditional small polaron analysis to our in-situ high temperature four-point conductivity and thermopower measurements, we previously found an activated mobility, which is indicative of the small polaron mechanism. However, (ii) employing the recent developments in correcting density functional methodologies for hole localization, we predict that the self-trapped hole is unstable and that Rh{sub 2}ZnO{sub 4} is instead a band conductor with a large effective mass. The hole mobility measured by high-field room temperature Hall effect also suggests band rather than polaron conduction. The apparent contradiction between the conclusion of the traditional procedure (i) and first-principles theory (ii) is resolved by taking into account in the previous transport analysis the temperature dependence of the effective density of states, which leads to the result that the mobility is actually temperature-independent in Rh{sub 2}ZnO{sub 4}. Our case study on Rh{sub 2}ZnO{sub 4} illustrates the range of experimental and theoretical approaches at hand to determine whether the transport mechanism of a semiconductor is band or small polaron conduction.

14 SOLAR ENERGY↗

DOE OSTI2016

TU-D-209-07: Monte Carlo Assessment of Dose to the Lens of the Eye of Radiologist Using Realistic Phantoms and Eyeglass Models

Purpose: To study how eyeglass design features and postures of the interventional radiologist affect the radiation dose to the lens of the eye. Methods: A mesh-based deformable phantom, consisting of an ultra-fine eye model, was used to simulate postures of a radiologist in fluoroscopically guided interventional procedure (facing the patient, 45 degree to the left, and 45 degree to the right). Various eyewear design features were studied, including the shape, lead-equivalent thickness, and separation from the face. The MCNPX Monte Carlo code was used to simulate the X-ray source used for the transcatheter arterial chemoembolization procedure (The X-ray tube is located 35 cm from the ground, emitting X-rays toward to the ceiling; Field size is 40cm X 40cm; X-ray tube voltage is 90 kVp). Experiments were also performed using dosimeter placed on a physical phantom behind eyeglasses. Results: Without protective eyewear, the radiologist’s eye lens can receive an annual dose equivalent of about 80 mSv. When wearing a pair of lead eyeglasses with lead-equivalent of 0.5-mm Pb, the annual dose equivalent of the eye lens is reduced to 31.47 mSv, but both exceed the new ICRP limit of 20 mSv. A face shield with a lead-equivalent of 0.125-mm Pb in the shape of a semi-cylinder (13cm in radius and 20-cm in height) would further reduce the exposure to the lens of the eye. Examination of postures and eyeglass features reveal surprising information, including that the glass-to-eye separation also plays an important role in the dose to the eye lens from scattered X-ray from underneath and the side. Results are in general agreement with measurements. Conclusion: There is an urgent need to further understand the relationship between the radiation environment and the radiologist’s eyewear and posture in order to provide necessary protection to the interventional radiologists under newly reduced dose limits.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Calibration of V-Notch and Compound Weirs for Subsurface Drainage Water Level Control Structures

Highlights Accurate discharge estimation is important when evaluating edge-of-field conservation practices. V-notch weir equations were developed for three sizes of subsurface drainage water level control structures. Compound weir equations were developed for subsurface drainage water level control structures. The compound weir equation accurately estimates discharge for flows within and overtopping the V-notch. Abstract.Numerous edge-of-field conservation practices use subsurface drainage water level control structures to monitor water levels and estimate discharge. In a control structure, procedures for calculating discharge when flow depth (head) exceeds the V-notch depth and overflows in the rectangular portion of the compound weir (CW) are ambiguous. In this study, we developed calibration equations for V-notch weirs in Agri Drain inline water level control structures of different sizes for flows within the V-notch and overtopping flow events. The discharge equation for overtopping events (Q CW , L s -1 ) was determined as: Q CW = a 1 (h b1 -h 1 b1 )+a 2 (W e -W v )h 1 b2 , where h and h 1 are heads above vertex/bottom and top of V-notch (cm), respectively, W is the effective crest width of rectangular weir (cm), W v is the top width of V-notch (cm), a 1 and b 1 are parameters for V-notch weir obtained by calibration, and a 2 and b 2 are calibration parameters for rectangular weir obtained from literature. Results were compared with a weir equation available in the literature (Q V+R ), which combines a V-notch equation with a head equal to V-depth and a rectangular weir equation for flow above V-depth. Discharge at overflow was estimated with high accuracy with Q CW, whereas Q V+R underestimated discharge (e.g., PBIAS of 0.67% vs. 17.82% for a 15.2 cm structure). An example using Q V+R resulted in a 14% lower annual estimation of nitrate-N load diverted to a saturated buffer than Q CW due to underestimation of drainage discharge during overflow events. Results suggest that the developed equation (Q CW ) accurately estimates discharge and will thus improve the estimated N load compared to Q V+R . Keywords: Compound weir, Flow monitoring, Subsurface drainage, V-notch weir, Water level control structure, Weir calibration.

Agriculture↗

DOE OSTI2022

Search for a 3+1 Sterile Neutrino with the MicroBooNE Experiment using Deep-Learning-Based Reconstruction

In this note we present the methods and sensitivity for a search for sterile neutrinos based on the 3+1 model in the MicroBooNE experiment. The recently released results by MicroBooNE show no sign of the MiniBooNE/LSND low-energy-excess anomaly. The 3+1 model examined here expands on the standard model of neutrinos by adding a fourth neutrino flavor and is not necessarily ruled out by the lack of a low energy excess. The search presented relies on Deep-Learning-based reconstruction tools and looks for charged current quasi-elastic-like (CCQE-like) events kinematically consistent with a 2-body interaction. Using two orthogonal samples of CCQE electron neutrino events and CCQE muon neutrino events, we test this model allowing for electron neutrino appearance, electron neutrino disappearance, and muon neutrino disappearance. We present the sensitivity to the oscillation parameters using the Wilks’ theorem exclusion confidence levels. We demonstrate the use of a minimizer to find the best fit and discuss the effect of using a Feldman-Cousins’ procedure instead of Wilks’ theorem to determine sensitivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗