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DOE OSTI2024

Surface and Atmospheric Heating Responses to Spectrally Resolved Albedo of Frozen and Liquid Water Surfaces

Abstract Multiple Earth system models (ESMs) discretize surface albedo into two semi‐broadbands comprising the UV/visible and near‐infrared (NIR) wavelengths. Here, we use an offline single‐column radiative transfer model to investigate the radiative effects of spectrally resolving the surface albedo. We use the Snow, Ice, and Aerosol Radiative model, extended to simulate liquid water, to calculate snow, ice, and liquid water albedo. We flux‐weight the hyperspectral albedo into the coarser spectral bands used by the atmospheric shortwave radiative transfer model. We establish representative atmospheric profiles for the three surface types and compare their shortwave fluxes and atmospheric warming rates with the spectrally resolved albedo to those calculated with the semi‐broadband approximation. Spectrally resolved surface albedo over snow and ice reduces atmospheric warming by darkening the albedo of NIR bands, correcting the too‐strong surface absorption in visible bands, and too‐weak surface absorption in shortwave infrared bands caused by the semi‐broadband approximation. We explore the effects on surface and atmospheric warming rates of varying solar zenith angle, cloud cover, relative humidity, and snow grain/air bubble radii. The semi‐broadband albedo biases can exceed 10% and 2% for the surface and atmospheric net flux respectively, being particularly strong under conditions which alter the distributions of surface insolation (i.e., cloud cover or increased atmospheric water vapor). These results show that transmitting a higher resolution spectral radiation field between the atmosphere and surface reduces biases in surface absorption and atmospheric heating present in ESMs that currently use the semi‐broadband approximation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Comparison of Numerical Methods for Modeling the Wave Field Effects Generated by Individual Wave Energy Converters and Multiple Converter Wave Farms

This numerical study compares the wave field generated by the spectral wave action balance code, SNL-SWAN, to the linear-wave boundary-element method (BEM) code, WAMIT. The objective of this study is to assess the performance of SNL-SWAN for modeling wave field effects produced by individual wave energy converters (WECs) and wave farms comprising multiple WECs by comparing results from SNL-SWAN with those produced by the BEM code WAMIT. BEM codes better model the physics of wave-body interactions and thus simulate a more accurate near-field wave field than spectral codes. In SNL-SWAN, the wave field’s energy extraction is modeled parametrically based on the WEC’s power curve. The comparison between SNL-SWAN and WAMIT is made over a range of incident wave conditions, including short-, medium-, and long-wavelength waves with various amounts of directional spreading, and for three WEC archetypes: a point absorber (PA), a pitching flap (PF) terminator, and a hinged raft (HR) attenuator. Individual WECs and wave farms of five WECs in various configuration were studied with qualitative comparisons made of wave height and spectra at specific locations, and quantitative comparisons of the wave fields over circular arcs around the WECs as a function of radial distance. Results from this numerical study demonstrate that in the near-field, the difference between SNL-SWAN and WAMIT is relatively large (between 20% and 50%), but in the far-field from the array the differences are minimal (between 1% and 5%). The resultant wave field generated by the two different numerical approaches is highly dependent on parameters such as: directional wave spreading, wave reflection or scattering, and the WEC’s power curve.

16 TIDAL AND WAVE POWER↗

NASA NTRS2004

Swift/BAT Calibration and Spectral Response

The Burst Alert Telescope (BAT) aboard NASA#s Swift Gamma-Ray Burst Explorer is a large coded aperture gamma-ray telescope consisting of a 2.4 m (8#) x 1.2 m (4#) coded aperture mask supported 1 meter above a 5200 square cm area detector plane containing 32,768 individual 4 mm x 4 mm x 2 mm CZT detectors. The BAT is now completely assembled and integrated with the Swift spacecraft in anticipation of an October 2004 launch. Extensive ground calibration measurements using a variety of radioactive sources have resulted in a moderately high fidelity model for the BAT spectral and photometric response. This paper describes these ground calibration measurements as well as related computer simulations used to study the efficiency and individual detector properties of the BAT detector array. The creation of a single spectral response model representative of the fully integrated BAT posed an interesting challenge and is at the heart of the public analysis tool #batdrmgen# which computes a response matrix for any given sky position within the BAT FOV. This paper will describe the batdrmgen response generator tool and conclude with a description of the on-orbit calibration plans as well as plans for the future improvements needed to produce the more detailed spectral response model that is required for the construction of an all-sky hard x-ray survey.

Parsons, A.↗

DOE OSTI2016

Stabilization of numerical interchange in spectral-element magnetohydrodynamics

In this study, auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C 0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate of the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. Lastly, the projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code [C. R. Sovinec, et al., J. Comput. Phys. 195 (2004) 355-386], provided that the projections introduce numerical dissipation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Behavior of a hollow core photonic crystal fiber under high radial pressure for downhole application

Pressure fiber sensors play an important role in downhole high pressure measurements to withstand long term operation. The purpose of this paper is to present an application of hollow core photonic crystal fiber (HC-PCF) as a high pressure sensor head for downhole application based on dispersion variation. We used a high pressure stainless steel unit to exert pressure on the sensor. The experimental results show that different wavelengths based on sagnac loop interferometer have additive sensitivities from 5 × 10{sup −5} nm/psi at 1480 nm to 1.3 × 10{sup −3} nm/psi at 1680 nm. We developed a simulation to understand the reason for difference in sensitivity of wavelengths and also the relationship between deformation of HC-PCF and dispersion variation under pressure. For this purpose, by using the finite element method, we investigated the effect of structural variation of HC-PCF on spectral transformation of two linear polarizations under 1000 psi pressure. The simulation and experimental results show exponential decay behavior of dispersion variation from −3.4 × 10{sup −6} 1/psi to −1.3 × 10{sup −6} 1/psi and from −5 × 10{sup −6} 1/psi to −1.8 × 10{sup −6} 1/psi, respectively, which were in a good accordance with each other.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1997

Heat Transfer Measurements on Surfaces with Natural Ice Castings and Modeled Roughness

An experimental method is described to measure and compare the convective heat transfer coefficient of natural and simulated ice accretion roughness and to provide a rational means for determining accretion-related enhanced heat transfer coefficients. The natural ice accretion roughness was a sample casting made from accretions at the NASA Lewis Icing Research Tunnel (IRT). One of these castings was modeled using a Spectral Estimation Technique (SET) to produce three roughness elements patterns that simulate the actual accretion. All four samples were tested in a flat-plate boundary layer at angle of attack in a "dry" wind tunnel test. The convective heat transfer coefficient was measured using infrared thermography. It is shown that, dispite some problems in the current data set, the method does show considerable promise in determining roughness-induced heat transfer coefficients, and that, in addition to the roughness height and spacing in the flow direction, the concentration and spacing of elements in the spanwise direction are important parameters.

Breuer, Kenneth S.↗

NASA NTRS1984

Spectral Characterization of the LANDSAT-4 MSS Sensors

Relative spectral response data for the LANDSAT-4 and LANDSAT-4 backup multispectral scanner subsystems (MSS), the protoflight and flight models are presented and compared to similar data for the LANDSAT 1, 2 and 3 scanners. Channel (six channels per band) outputs for soil and soybean targets were simulated and compared within each band and between scanners. The principal differences between the spectral responses of the LANDSAT-4 scanners and previous scanners are discussed. The simulated LANDSAT-4 scanner outputs were 3 to 10 percent lower in the red band and 3 to 11 percent higher in the first near-IR band than previous scanners for the soybeans targets. The LANDSAT-4 scanners were generally more uniform from channel to channel within bands than previous scanners. In the upper-band edge of the red band of the protoflight scanner, one channel was markedly different (12 nm) from the rest. For a soybeans target, this nonuniformity resulted in a within-band difference of 6.2 percent in simulated outputs between channels.

Markham, B. L.↗

NASA NTRS2021

High Resolution Soft X-Ray Spectroscopy and the Quest for the Hot (5-10 MK) Plasma in Solar Active Regions

We discuss the diagnostics available to study the 5–10 MK plasma in the solar corona, which is key to understanding the heating in the cores of solar active regions. We present several simulated spectra, and show that excellent diagnostics are available in the soft X-rays, around 100 A, as six ionisation stages of Fe can simultaneously be observed, and electron densities derived, within a narrow spectral region. As this spectral range is almost unexplored, we present an analysis of available and simulated spectra, to compare the hot emission with the cooler component. We adopt recently designed multilayers to present estimates of count rates in the hot lines, with a baseline spectrometer design. Excellent count rates are found, opening up the exciting opportunity to obtain high-resolution spectroscopy of hot plasma.

Giulio Del Zanna↗

DOE OSTI2024

AuriDESI: mock catalogues for the DESI Milky Way Survey

The Dark Energy Spectroscopic Instrument Milky Way Survey (DESI MWS) will explore the assembly history of the Milky Way by characterizing remnants of ancient dwarf galaxy accretion events and improving constraints on the distribution of dark matter in the outer halo. We present mock catalogues that reproduce the selection criteria of MWS and the format of the final MWS data set. These catalogues can be used to test methods for quantifying the properties of stellar halo substructure and reconstructing the Milky Way’s accretion history with the MWS data, including the effects of halo-to-halo variance. The mock catalogues are based on a phase-space kernel expansion technique applied to star particles in the Auriga suite of six high-resolution lambda-cold dark matter magnetohydrodynamic zoom-in simulations. They include photometric properties (and associated errors) used in DESI target selection and the outputs of the MWS spectral analysis pipeline (radial velocity, metallicity, surface gravity, and temperature). They also include information from the underlying simulation, such as the total gravitational potential and information on the progenitors of accreted halo stars. We discuss how the subset of halo stars observable by MWS in these simulations corresponds to their true content and properties. These mock Milky Ways have rich accretion histories, resulting in a large number of substructures that span the whole stellar halo out to large distances and have substantial overlap in the space of orbital energy and angular momentum.

dynamics↗

NASA NTRS1994

The AEDC aerospace chamber 7V: An advanced test capability for infrared surveillance and seeker sensors

An advanced sensor test capability is now operational at the Air Force Arnold Engineering Development Center (AEDC) for calibration and performance characterization of infrared sensors. This facility, known as the 7V, is part of a broad range of test capabilities under development at AEDC to provide complete ground test support to the sensor community for large-aperture surveillance sensors and kinetic kill interceptors. The 7V is a state-of-the-art cryo/vacuum facility providing calibration and mission simulation against space backgrounds. Key features of the facility include high-fidelity scene simulation with precision track accuracy and in-situ target monitoring, diffraction limited optical system, NIST traceable broadband and spectral radiometric calibration, outstanding jitter control, environmental systems for 20 K, high-vacuum, low-background simulation, and an advanced data acquisition system.

Simpson, W. R.↗

NASA NTRS1995

On the joint spectral density of bivariate random sequences

For univariate random sequences, the power spectral density acts like a probability density function of the frequencies present in the sequence. This dissertation extends that concept to bivariate random sequences. For this purpose, a function called the joint spectral density is defined that represents a joint probability weighing of the frequency content of pairs of random sequences. Given a pair of random sequences, the joint spectral density is not uniquely determined in the absence of any constraints. Two approaches to constraining the sequences are suggested: (1) assume the sequences are the margins of some stationary random field, (2) assume the sequences conform to a particular model that is linked to the joint spectral density. For both approaches, the properties of the resulting sequences are investigated in some detail, and simulation is used to corroborate theoretical results. It is concluded that under either of these two constraints, the joint spectral density can be computed from the non-stationary cross-correlation.

Aalfs, David D.↗

DOE OSTI2014

Two-dimensional positive column structure in a discharge tube with radius discontinuity

The low-pressure (40 and 90 Pa) low-current (4 and 10 mA) direct current discharge in a tube with a sharp change of its radius is studied both numerically and experimentally. A fully self-consistent hybrid numerical model of a two-dimensional non-uniform positive column in neon is developed using a nonlocal approach. The model combines kinetic simulation of the electrons (under two-terms approach) and fluid description of the neon ions and permits to calculate the distribution of all plasma parameters in the direct current discharges in the cameras with cylindrical geometry and radius discontinuity. The simulation results are compared with the measured 585.3 nm neon spectral line absolute intensities and excited 1s{sub 3} metastable neon atom number densities. Non-local electron kinetics in the transition region and formation of standing strata are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Comparison of spherical harmonics method and discrete ordinates method for radiative transfer in a turbulent jet flame

Here, in this study, we systematically compared the accuracy and computational cost of two popular solution methods for the radiative transfer equation (RTE): the spherical harmonics method (P N ) and the discrete ordinates method (DOM). We first investigated convergence characteristics of different orders of P N and DOM in a series of 1D homogeneous configurations with varying optical thicknesses. Both solvers perform better for optically thicker cases. The accuracy of P N methods increases with its order, , but the gain in accuracy reduces with the increase in , i.e., improvement of P 7 over P 5 is less than that of P 3 over P 1 . This decreasing trend becomes more prominent as the optical thickness decreases. On the other hand, DOM’s accuracy increases almost linearly with the increase in the number of ordinates (or polar angles in this study) in all cases. While comparing the directional profile of radiative intensity, both solvers perform better when the radiative intensity is more isotropic. These solvers were then connected with a full spectrum k-distribution (FSK) spectral model and used to perform radiation-coupled simulations of a turbulent jet flame in an axi-symmetric cylindrical domain. Results obtained from P 1 to P 7 approximations for P N , and 2 x 4, 4 x 4, 4 x 8, 8 x 8 finite angles for DOM are compared with that from an optically thin model, and a reference solution from line-by-line (LBL) photon Monte Carlo (PMC) method. The choice of radiation solver shows a noticeable impact on the temperature distribution of the flame. The P N solvers lead to slightly higher radiant fractions and the DOM solvers lead to slightly lower radiant fractions than the PMC benchmark solution. Finally, the computational costs of each of these solvers are also reported and an intermittent evaluation / time blending scheme to improve the computational efficiency of radiation solvers in radiation-coupled simulations are also demonstrated.

42 ENGINEERING↗

DOE OSTI2011

An isotope identification injection study with GammaTracker

GammaTracker is a portable handheld radioisotope identifier using position sensitive CdZnTe detectors. High confidence isotope identification is possible on GammaTracker owing to the system's relatively high energy resolution and count rate sensitivity. A study was undertaken to evaluate the isotope identification performance of a prototype unit. Background and source spectra for various nuclides were measured and then randomly sampled to simulate various integration times and source intensities. The resulting spectral data sets were then run through the isotope identification algorithm to determine the probability of detection and the false alarm rate for each nuclide. The process was repeated for various isotope identification input parameters until an optimized set was achieved. This paper presents results from the injection study.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

The Role of Cation Coordination in the Electrical and Optical Properties of Amorphous Transparent Conducting Oxides

Amorphous oxide semiconductor materials have demonstrated numerous advantages without compromise of electrical properties as compared to their crystalline counterparts, yet understanding of the fundamental principles allowing this has remained elusive. To study the origins of enhanced optoelectronic properties, we apply high-throughput, combinatorial sputtering, structural and spectral mapping, and computationally intensive ab initio molecular dynamics simulations with density functional theory to a ternary, post-transition metal oxide system, namely, zinc tin oxide. The deposited thin films exhibit a high figure of merit, achieving carrier densities in the range of 1019 to 1020 cm–3 and carrier mobilities up to 35 cm2/Vs. These results highlight the role of local distortions and cation coordination in determining the microscopic origins of carrier generation and transport. In particular, we identify the strong likelihood of Sn undercoordination in both Zn-poor and Zn-rich phases leading to the high carrier concentrations observed. This not only diverges from the still widespread historical indictment of oxygen vacancies controlling carrier population in crystalline oxides but also provides a comprehensive framework to describe the unique structure–property relationships using specific structural and electronic descriptors in disordered phase materials.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗

DOE OSTI2018

Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment

We present molecular mechanics and spectroscopic calculations on prototype artificial light harvesting systems consisting of chromophores attached to a tobacco mosaic virus (TMV) protein scaffold. These systems have been synthesized and characterized spectroscopically, but information about the microscopic configurations and geometry of these TMV-templated chromophore assemblies is largely unknown. We use a Monte Carlo conformational search algorithm to determine the preferred positions and orientations of two chromophores, Coumarin 343 together with its linker and Oregon Green 488, when these are attached at two different sites (104 and 123) on the TMV protein. The resulting geometric information shows that the extent of disorder and aggregation properties and therefore the optical properties of the TMV-templated chromophore assembly are highly dependent on both the choice of chromophores and the protein site to which they are bound. We use the results of the conformational search as geometric parameters together with an improved tight-binding Hamiltonian to simulate the linear absorption spectra and compare with experimental spectral measurements. The ideal dipole approximation to the Hamiltonian is not valid because the distance between chromophores can be very small. Finally, we found that using the geometries from the conformational search is necessary to reproduce the features of the experimental spectral peaks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Separating Physics and Dynamics Grids for Improved Computational Efficiency in Spectral Element Earth System Models

Previous studies have shown that atmospheric models with a spectral element grid can benefit from putting physics calculations on a relatively coarse finite volume grid. Here we demonstrate an alternative high-order, element-based mapping approach used to implement a quasi-equal-area, finite volume physics grid in E3SM. Unlike similar methods, the new method in E3SM requires topology data purely local to each spectral element, which trivially allows for regional mesh refinement. Simulations with physics grids defined by 2 × 2, 3 × 3, and 4 × 4 divisions of each element are shown to verify that the alternative physics grid does not qualitatively alter the model solution. The model performance is substantially affected by the reduction of physics columns when using the 2 × 2 grid, which can increase the throughput of physics calculations by roughly 60%–120% depending on whether the computational resources are configured to maximize throughput or efficiency. A pair of regionally refined cases are also shown to highlight the refinement capability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

A comparative numerical analysis of linear and nonlinear aerodynamic sound generation by vortex disturbances in homentropic constant shear flows

Aerodynamic sound generation in shear flows is investigated in the light of the breakthrough in hydrodynamics stability theory in the 1990s, where generic phenomena of non-normal shear flow systems were understood. By applying the thereby emerged short-time/non-modal approach, the sole linear mechanism of wave generation by vortices in shear flows was captured [G. D. Chagelishvili, A. Tevzadze, G. Bodo, and S. S. Moiseev, “Linear mechanism of wave emergence from vortices in smooth shear flows,” Phys. Rev. Lett. 79, 3178-3181 (1997); B. F. Farrell and P. J. Ioannou, “Transient and asymptotic growth of two-dimensional perturbations in viscous compressible shear flow,” Phys. Fluids 12, 3021-3028 (2000); N. A. Bakas, “Mechanism underlying transient growth of planar perturbations in unbounded compressible shear flow,” J. Fluid Mech. 639, 479-507 (2009); and G. Favraud and V. Pagneux, “Superadiabatic evolution of acoustic and vorticity perturbations in Couette flow,” Phys. Rev. E 89, 033012 (2014)]. Its source is the non-normality induced linear mode-coupling, which becomes efficient at moderate Mach numbers that is defined for each perturbation harmonic as the ratio of the shear rate to its characteristic frequency. Based on the results by the non-modal approach, we investigate a two-dimensional homentropic constant shear flow and focus on the dynamical characteristics in the wavenumber plane. This allows to separate from each other the participants of the dynamical processes — vortex and wave modes — and to estimate the efficacy of the process of linear wave-generation. This process is analyzed and visualized on the example of a packet of vortex modes, localized in both, spectral and physical, planes. Further, by employing direct numerical simulations, the wave generation by chaotically distributed vortex modes is analyzed and the involved linear and nonlinear processes are identified. The generated acoustic field is anisotropic in the wavenumber plane, which results in highly directional linear sound radiation, whereas the nonlinearly generated waves are almost omni-directional. As part of this analysis, we compare the effectiveness of the linear and nonlinear mechanisms of wave generation within the range of validity of the rapid distortion theory and show the dominance of the linear aerodynamic sound generation. Finally, topological differences between the linear source term of the acoustic analogy equation and of the anisotropic non-normality induced linear mechanism of wave generation are found.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗