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All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Cluster Analysis of Spectroscopic Line Profiles and EUV Emission in RMHD Simulations and Observations of the Solar Atmosphere

Spatially-resolved observations from the IRIS, SDO/AIA, and other space mission and ground-based telescopes, coupled with realistic 3D RMHD simulations, are a powerful tool for analysis of processes in the solar atmosphere. To better understand the dynamical and thermodynamic properties in the simulation data and their connection to observations, it is essential to determine similarities in the behaviors of the synthesized and observed emission. However, the complexity of observational data and physical processes makes comparison of observations and modeling results difficult. In this work, we show the initial results of application of K-Means clustering (unsupervised machine learning) algorithm to two different problems: 1) recognition of the typical spectroscopic line profiles observed by IRIS during solar flares and their typical dynamic behavior; 2) recognition of shocks and heating events in synthetic AIA emission data obtained from StellarBox quiet-Sun simulations. The average silhouette width technique for the KMeans algorithm is utilized in different ways to obtain optimal numbers of clusters. We discuss application of the emission clustering to visualizations of the computational volume, understanding its evolutionary trends and behavior patterns, and inversion (reconstruction) of physical properties of the solar atmosphere from synthesizes emission data.

Sadykov, Viacheslav↗
NASA NTRS1980

Quantum simulation of the yellow emission band of CsXe

Quantum spectral simulations of the yellow excimer emission band of CsXe are presented. Synthetic spectra as a function of wave number are calculated for the 2 Sigma 1/2 + (7s) - 2 Sigma 1/2 + (6s) transition by the use of the equation of Tellinghuisen et al. (1976) with a theoretical potential for the ground state and a Morse potential curve with an electron frequency of 32/cm for the excited state. Results based on emission studies at 450 K and 200 and 800 torr, are found to be consistent with absorption studies. The undulatory structure observed in the spectrum is attributed not to the vibrational spacing in the excited state, but rather to a characteristic reflection structure associated with nearly parallel upper and lower potential curves.

Tellinghuisen, J.↗
DOE OSTI2022

A full-ring variable-aperture cadmium zinc telluride system for whole-body single photon emission computed tomography: realistic simulations with phantoms

Single photon emission computed tomography (SPECT) is an imaging modality that has demonstrated its utility in a number of clinical indications. Despite this progress, a high sensitivity, high spatial resolution, multi-tracer SPECT with a large field of view suitable for whole-body imaging of a broad range of radiotracers for theranostics is not available. Purpose We have designed a cadmium zinc telluride (CZT) variable-aperture full-ring SPECT scanner instrumented with a broad-energy tungsten collimator intended to fill this technological gap. The final purpose is to provide a multi-tracer solution for brain and whole-body imaging. Our static SPECT scanner breaks the paradigm of the standard dual- and triple-head rotational SPECT systems, utilizing a larger detector area in each scan increasing the sensitivity. We provide a demonstration of the performance of our design using a realistic model of our detector with simulated body-sized 99mTc phantoms. Methods We developed a realistic model of our detector by using a combination of a Geant4 Monte Carlo simulation and a CZT detector response model based on a finite element model. Our approach models the characteristic low-energy tail effect in CZT that noticeably affects the sensitivity and the quality of the scatter correction in CZT detectors. We implement a modified dual energy window scatter correction adapted to include the CZT low-energy tail effect. A dedicated correction is also developed to eliminate the undesirable truncation observed in images given the presence of detector edges and gaps between detectors, due to the non-rotational nature of our device. Corrections for the attenuation, detector response and the presence of collimators are also included. The images are reconstructed using the maximum-likelihood expectation-maximization algorithm implemented in the reconstruction open software STIR. Detector and reconstruction performance are characterized with a Derenzo phantom and a body-sized National Electrical Manufacturers Association (NEMA) Image Quality (IQ) phantom containing 99mTc. Results Our SPECT design can resolve 6.4mm rods in a Derenzo phantom and obtain a good image contrast with the IQ phantom. Explicit testing of the gap and edge correction is provided, showing an excellent performance in eliminating the image truncation artifacts. Our modified scatter correction shows no overestimation of the contrast-recovery ratio for our realistic CZT detector model, as opposed to the cases without correction and with a standard dual-energy window scatter correction. Conclusions In this paper, we further demonstrate the performance of our design for whole-body imaging purposes. This adds to our previous demonstration of improved qualitative and quantitative 99mTc imaging for brain perfusion and 123I imaging for dopamine transport with respect to state-of-the-art NaI dual-head cameras. We show that our design performs similarly to the VERITON SPECT from Spectrum Dynamics, a commercial full-ring CZT SPECT camera, with the potential advantage of the broader energy range of application given by our custom-design tungsten collimators. Here, our device combines high sensitivity and image resolution with a broad-energy imaging application for the purpose of clinical imaging and theranostics of emerging radionuclides.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Simulation of Plasma Emission in Magnetized Plasmas

The recent Parker Solar Probe observations of type III radio bursts show that the effects of the finite background magnetic field can be an important factor in the interpretation of data. In the present paper, the effects of the background magnetic field on the plasma-emission process, which is believed to be the main emission mechanism for solar coronal and interplanetary type III radio bursts, are investigated by means of the particle-in-cell simulation method. The effects of the ambient magnetic field are systematically surveyed by varying the ratio of plasma frequency to electron gyrofrequency. The present study shows that for a sufficiently strong ambient magnetic field, the wave–particle interaction processes lead to a highly field-aligned longitudinal mode excitation and anisotropic electron velocity distribution function, accompanied by a significantly enhanced plasma emission at the second-harmonic plasma frequency. For such a case, the polarization of the harmonic emission is almost entirely in the sense of extraordinary mode. On the other hand, for moderate strengths of the ambient magnetic field, the interpretation of the simulation result is less clear. The underlying nonlinear-mode coupling processes indicate that to properly understand and interpret the simulation results requires sophisticated analyses involving interactions among magnetized plasma normal modes, including the two transverse modes of the magneto-active plasma, namely, the extraordinary and ordinary modes, as well as electron-cyclotron-whistler, plasma oscillation, and upper-hybrid modes. At present, a nonlinear theory suitable for quantitatively analyzing such complex-mode coupling processes in magnetized plasmas is incomplete, which calls for further theoretical research, but the present simulation results could provide a guide for future theoretical efforts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Dynamics of plasma atomic layer etching: Molecular dynamics simulations and optical emission spectroscopy

Atomic layer etching is intrinsically dynamic as it involves sequential and repeated exposures of a surface to be etched with different species at different energies. The composition and structure of the near surface region change in both time and depth. Full understanding of this process requires resolving both temporal and spatial variations. In this work, we consider silicon (Si) atomic layer etching (ALE) by alternating exposure to chlorine gas (Cl 2 ) and argon ions (Ar + ). Molecular dynamics (MD) simulations are compared to experimental measurements with the aim of better understanding the dynamics of ALE and to test the simulation procedure. The simulations help to more fully interpret the experimental measurements. Further, optical emission measured just above the surface being etched can be related to etch products and can, therefore, be directly compared to simulation predictions. The simulations capture the measured initial product distribution leaving the surface and match the measured etch per cycle reasonably well. While simulations demonstrate the importance of ion-induced surface damage and mixing into a layer below the surface, the depth of which depends mainly on ion energy, the experiments suggest there is more Cl mixed into the layer than the MD procedure predicts.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1994

Accurate Simulation of Acoustic Emission Sources in Composite Plates

Acoustic emission (AE) signals propagate as the extensional and flexural plate modes in thin composite plates and plate-like geometries such as shells, pipes, and tubes. The relative amplitude of the two modes depends on the directionality of the source motion. For source motions with large out-of-plane components such as delaminations or particle impact, the flexural or bending plate mode dominates the AE signal with only a small extensional mode detected. A signal from such a source is well simulated with the standard pencil lead break (Hsu-Neilsen source) on the surface of the plate. For other sources such as matrix cracking or fiber breakage in which the source motion is primarily in-plane, the resulting AE signal has a large extensional mode component with little or no flexural mode observed. Signals from these type sources can also be simulated with pencil lead breaks. However, the lead must be fractured on the edge of the plate to generate an in-plane source motion rather than on the surface of the plate. In many applications such as testing of pressure vessels and piping or aircraft structures, a free edge is either not available or not in a desired location for simulation of in-plane type sources. In this research, a method was developed which allows the simulation of AE signals with a predominant extensional mode component in composite plates requiring access to only the surface of the plate.

Prosser, W. H.↗
DOE OSTI2021

Combined Mixed Potential Electrochemical Sensors and Artificial Neural Networks for the Quantificationand Identification of Methane in Natural Gas Emissions Monitoring

Sensors capable of quantifying methane concentration and discriminating between possible sources are needed for natural gas leak detection where multiple spatially overlapping sources including wetlands and agriculture may be present. We report on the fabrication by an additive manufacturing process of a four electrode La 0.87 Sr 0.13 CrO 3 , Indium Tin Oxide (In 2 O 3 90 wt%, SnO 2 10 wt%), Au, Pt mixed potential electrochemical sensor using yttria-stabilized zirconia (YSZ) as a solid electrolyte to natural gas detection. Artificial neural networks (ANNs) are used to automatically decode the possible source and concentration of methane. The ANNs trained on sensor data are capable of correctly discriminating between three sources of methane emissions from simulated mixtures of emissions from cattle, wetlands, or natural gas with >98% accuracy. Quantification error for methane in mixtures of CH 4 in air, CH 4 + NH3 in air, and simulated natural gas is less than 1.5% ppm when a two-temperature dataset is employed.

03 NATURAL GAS↗
DOE OSTI2022

Evaluating alternative ebullition models for predicting peatland methane emission and its pathways via data–model fusion

Abstract. Understanding the dynamics of peatland methane (CH4) emissions and quantifying sources of uncertainty in estimating peatland CH4 emissions are critical for mitigating climate change. The relative contributions of CH4 emission pathways through ebullition, plant-mediated transport, and diffusion, together with their different transport rates and vulnerability to oxidation, determine the quantity of CH4 to be oxidized before leaving the soil. Notwithstanding their importance, the relative contributions of the emission pathways are highly uncertain. In particular, the ebullition process is more uncertain and can lead to large uncertainties in modeled CH4 emissions. To improve model simulations of CH4 emission and its pathways, we evaluated two model structures: (1) the ebullition bubble growth volume threshold approach (EBG) and (2) the modified ebullition concentration threshold approach (ECT) using CH4 flux and concentration data collected in a peatland in northern Minnesota, USA. When model parameters were constrained using observed CH4 fluxes, the CH4 emissions simulated by the EBG approach (RMSE = 0.53) had a better agreement with observations than the ECT approach (RMSE = 0.61). Further, the EBG approach simulated a smaller contribution from ebullition but more frequent ebullition events than the ECT approach. The EBG approach yielded greatly improved simulations of pore water CH4 concentrations, especially in the deep soil layers, compared to the ECT approach. When constraining the EBG model with both CH4 flux and concentration data in model–data fusion, uncertainty of the modeled CH4 concentration profiles was reduced by 78 % to 86 % in comparison to constraints based on CH4 flux data alone. The improved model capability was attributed to the well-constrained parameters regulating the CH4 production and emission pathways. Our results suggest that the EBG modeling approach better characterizes CH4 emission and underlying mechanisms. Moreover, to achieve the best model results both CH4 flux and concentration data are required to constrain model parameterization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Author Correction: US oil and gas system emissions from nearly one million aerial site measurements

Correction to: Naturehttps://doi.org/10.1038/s41586-024-07117-5 Published online 13 March 2024 In the version of the article initially published, several errors were present and have been corrected in the HTML and PDF versions of the article and Supplementary Information. The main results, conclusions, and our interpretations of the data remain unchanged. See the new Supplementary Information Section S15 for a more detailed description of the errors corrected and the resulting effects on the analysis. Data processing and methods corrections Overflight count correction: We previously used pre-computed source coverage data for some Carbon Mapper campaigns that was computed differently than was required for our analysis. We have re-computed Carbon Mapper source coverage based on flightline polygons and source coordinates. Transition point computation, well sites: The updated version now correctly compares the cumulative emissions distribution of simulated well site emissions with that of aerially detected sources (rather than plumes) when computing the transition point. Transition point computation, midstream: Additionally, the transition point calculation has been corrected to exclude aerially detected midstream emissions below the transition point, which was previously leading to double counting of these emissions. This error was not present for upstream (well site) emissions. Calculation errors Unit error: We corrected a specific unit conversion error affecting well site emissions in the Kairos Fort Worth dataset. Across all datasets, we also correct the conversion factor for converting from standard volume to mass for midstream emissions. Sorting error: We correct code that was applying incorrect sorting when computing correction factors to account for partial detection at well sites. Small typographical corrections were made in Fig. 1b and SI Section S4.1. Data processing and methods corrections Overflight count correction: We previously used pre-computed source coverage data for some Carbon Mapper campaigns that was computed differently than was required for our analysis. We have re-computed Carbon Mapper source coverage based on flightline polygons and source coordinates. Transition point computation, well sites: The updated version now correctly compares the cumulative emissions distribution of simulated well site emissions with that of aerially detected sources (rather than plumes) when computing the transition point. Transition point computation, midstream: Additionally, the transition point calculation has been corrected to exclude aerially detected midstream emissions below the transition point, which was previously leading to double counting of these emissions. This error was not present for upstream (well site) emissions. Calculation errors Unit error: We corrected a specific unit conversion error affecting well site emissions in the Kairos Fort Worth dataset. Across all datasets, we also correct the conversion factor for converting from standard volume to mass for midstream emissions. Sorting error: We correct code that was applying incorrect sorting when computing correction factors to account for partial detection at well sites. Small typographical corrections were made in Fig. 1b and SI Section S4.1. The following practices may help researchers conducting similar analyses avoid making similar errors: 1, Clear, accessible documentation explaining the interpretation of all columns in data input tables and all internal variables within the model, 2, Simple cross-check calculations computed before and after unit conversions.

Sherwin, Evan D↗
NASA NTRS1983

Particle simulations of electrostatic emissions near the lower hybrid frequency

The linear instability and nonlinear saturation of electrostatic emission near the lower hybrid frequency is examined for model cold and warm ion ring distributions and auroral zone parameters. In the cold ring case, a single coherent mode near omega (LH) evolves, and saturates by ion trapping. In the warm ring case, a discrete spectrum of unstable modes separated by the ion gyrofrequency is generated near and above omega (LH). The latter instability saturates by quasilinear diffusion.

Roth, I.↗
NASA NTRS1991

Numerical simulation of the emission and motion of neutral and charged dust from P/Halley

The present numerical model for neutral or charged dust-particle distribution prediction in P/Halley encompasses the spatial and temporal variations of the plasma parameters and magnetic field. A significant difference is noted between results for neutral dust trajectories and the trajectories of charged dust particles with radii smaller than 0.1 micron. While most of the model and in situ mass spectra were in good agreement, there is a shortage of the lowest-mass model particles, as well as an offset of the total counting rate for two outbound mass spectra. A combination of two Lorentzian particle mass-density functions with a 100:1 ratio for the number of particles with the lower and higher density functions yielded the best agreement.

Ellis, Tracy A.↗
NASA NTRS1992

Studies of radiative emission from the simulated shock layer of the Huygens probe

An investigation has been conducted to determine the radiative heating of the Huygens probe. The shock tube facility at Stanford University was used to generate plasma behind strong shocks, which simulates the flow field around the probe. Spectroscopic techniques have been used to measure thermophysical quantities of the plasma in the shock tube. A numerical code has been developed using a three temperature model in order to generate one dimensional flow field solutions for comparison with these experimental data. Based on this analysis, the radiative heat transfer at the stagnation point of the prove was approximated.

Park, C. S.↗
NASA NTRS1994

X-Ray Emission from a Simulated Cluster of Galaxies

Using the 1993 cluster simulation of Katz & White, we analyze the intracluster medium and investigate the accuracy of the standard hydrostatic method for determining cluster masses. We show that the simulated cluster gas is in hydrostatic equilibrium with a subsonic flow toward the center. Inside a radius of (approx.) 100 kpc, this flow is in a steady state. The cooling time is shorter than a Hubble time within the central 50 kpc. The flow rate is regulated by the gas sink in the middle of the cluster and the PdV work done as the gas flows in, verifying the standard cooling flow scenario. We simulate observations of the cluster using the instrument parameters of the EXOSAT ME detector and the Einstein IPC detector. Even though the intracluster gas is not isothermal, isothermal models of the cluster, excluding regions within 100 kpc of galaxies, fit the EXOSAT X-ray spectra as well as they fit real clusters. The X- ray surface brightness distribution is similar to that of real clusters, again excluding the galaxies. We simulate the procedure used to determine the masses of real clusters. We use the equation of hydrostatic equilibrium together with the temperature derived from an isothermal fit to the simulated EXOSAT spectrum and the density profile derived from a fit to the simulated IPC surface brightness profile to determine the mass. A comparison of the derived mass profile to the actual mass profile shows that errors of a factor of 2 are possible. If the actual temperature profile is used, the cluster mass is found to an accuracy of better than 25% within the virial radius.

Tsai, John C.↗
NASA NTRS2008

Simulating Gravitational Wave Emission from Massive Black Hole Binaries

The final merger of two black holes releases a tremendous amount of energy and is one of the brightest sources in the gravitational wave sky. Observing these sources with gravitational wave detectors requires that we know the radiation waveforms they emit. Since these mergers take place in regions of very strong gravitational fields, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute these waveforms using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. In the past few years, this situation has changed dramatically, with a series of amazing breakthroughs. This talk will focus on the recent advances that are revealing these waveforms. highlighting their astrophysical consequences and the dramatic new potential for discovery that arises when merging black holes will be observed using gravitational waves.

Centrella, Joan↗
NASA NTRS2014

Simulations of NOx Emissions from Low Emissions Discrete Jet Injector Combustor Tests

An experimental and computational study was conducted to evaluate the performance and emissions characteristics of a candidate Lean Direct Injection (LDI) combustor configuration with a mix of simplex and airblast injectors. The National Combustion Code (NCC) was used to predict the experimentally measured EINOx emissions for test conditions representing low power, medium power, and high-power engine cycle conditions. Of the six cases modeled with the NCC using a reduced-kinetics finite-rate mechanism and lagrangian spray modeling, reasonable predictions of combustor exit temperature and EINOx were obtained at two high-power cycle conditions.

Ajmani, Kumud↗
NASA NTRSDate not supplied

Nanoflare Heating of an X-Ray Bright Point

Nanoflares are thought to be one of the prime candidates that can keep the solar corona to its multimillion kelvin temperature. Individual nanoflares are difficult to detect with the present generation instruments, however their presence can be inferred by comparing the nanoflare heated simulated plasma emissions with the observed emission. Here, we present a simulation of emission from an X-ray Bright Point (XBP) that was observed by the Marshall Grazing Incidence X-ray Spectrometer (MaGIXS), along with concurrent observations from SDO/AIA and Hinode/XRT. We use EBTEL hydrodynamic code to simulate the XBP loops. Length and magnetic field strength of these loops are derived from the potential field extrapolation of the observed photospheric magnetogram by HMI/SDO. Each loop is assumed to be heated by random nanoflares, whose magnitude and frequency are determined by the looplength and magnetic field strength. The simulated outputs are used to predict the intensity of spectrally pure map of Fe-18, Fe-17, Ne-9 ,O-8, O-9, Ne-9 etc, which are then compared with the derived intensity from MaGIXS observation. Further we have predicted the intensity map as observed by AIA and XRT and compared them with the observation. We also estimated the temperature distribution of the XBP from the simulation and found a good agreement with the derived distribution from MaGIXS observation.

coronal heating↗
NASA NTRS2013

Simulation of the Microwave Emission of Multi-layered Snowpacks Using the Dense Media Radiative Transfer Theory: the DMRT-ML Model

DMRT-ML is a physically based numerical model designed to compute the thermal microwave emission of a given snowpack. Its main application is the simulation of brightness temperatures at frequencies in the range 1-200 GHz similar to those acquired routinely by spacebased microwave radiometers. The model is based on the Dense Media Radiative Transfer (DMRT) theory for the computation of the snow scattering and extinction coefficients and on the Discrete Ordinate Method (DISORT) to numerically solve the radiative transfer equation. The snowpack is modeled as a stack of multiple horizontal snow layers and an optional underlying interface representing the soil or the bottom ice. The model handles both dry and wet snow conditions. Such a general design allows the model to account for a wide range of snow conditions. Hitherto, the model has been used to simulate the thermal emission of the deep firn on ice sheets, shallow snowpacks overlying soil in Arctic and Alpine regions, and overlying ice on the large icesheet margins and glaciers. DMRT-ML has thus been validated in three very different conditions: Antarctica, Barnes Ice Cap (Canada) and Canadian tundra. It has been recently used in conjunction with inverse methods to retrieve snow grain size from remote sensing data. The model is written in Fortran90 and available to the snow remote sensing community as an open-source software. A convenient user interface is provided in Python.

snowpacks↗
NASA NTRS1974

Measurement of gaseous emissions from a turbofan engine at simulated altitude conditions

Gaseous emission from a TFE 731-2 turbofan engine were measured over a range of fuel-air ratios from idle to full power at simulated from near sea level to 13,200 m. Carbon monoxide and unburned hydrocarbon emissions were highest at idle and lowest at high power settings; oxides of nitrogen exhibited the reverse trend. Carbon monoxide and unburned hydrocarbon levels decreased with increasing altitude. Oxides of nitrogen emissions were successfully correlated by a parametric group of combustor operating variables.

Diehl, L. A.↗