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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Novel Approach to Simulate Realistic Concrete Microstructures under Irradiation

The concrete biological shield of light water reactors is exposed to high neutron and gamma irradiation doses in the long term. Irradiation deteriorates the physical and mechanical properties of concrete. Such effects need to be investigated to predict the concrete’s performance in the event of a lifetime extension of a nuclear power plant. This work combines high-resolution characterization techniques with fast-Fourier transform (FFT)-based 2-D simulations to evaluate the radiation-induced volumetric expansion (RIVE) and damage in concrete microstructures under neutron irradiation. Two concrete microstructures from samples provided by the Japan Concrete Aging Management Program (JCAMP) were characterized using micro x-ray fluorescence (mXRF) to obtain elemental intensity maps, and energy-dispersive x-ray spectroscopy to complement mXRF with local elemental information for Na. Minerals and cement paste are then identified based on the elemental composition to produce high-resolution phase maps, resulting in a more accurate representation of the microstructures compared to previous work. Simulations of radiation-induced volumetric expansion (RIVE), creep, and damage in JCAMP concrete use the fast Fourier transform (FFT)-based code Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) combined with the irradiated minerals, aggregates, and concrete (IMAC) database, which contains mineral-specific RIVE models. Overall, the simulation results are in fair agreement with experimental data.

Cheniour, Amani↗
DOE OSTI2020

Multiscale Investigation of the Mechanisms Controlling the Corrosion of Borosilicate Glasses in Hyper-Alkaline Media

The overarching goal of the present multiscale investigation is to unearth the kinetics and mechanisms of corrosion of borosilicate glasses in hyper-alkaline (pH = 13) environments as a function of their chemical composition. Accordingly, a series of 3- to 6-component borosilicate glasses have been designed starting from Na 2 O–B 2 O 3 –SiO 2 ternary, wherein the compositional complexity has been added in a systematic tiered approach, finally resulting in the composition of the well-known international simple glass (ISG). Tetramethylammonium hydroxide (TMAH), one of the most widely used alkaline etchant in the glass and electronics industry, has been used as the corrosion media. A series of state-of-the-art characterization techniques including magic angle spinning nuclear magnetic resonance spectroscopy, X-ray photoelectron spectroscopy, inductively coupled plasma optical emission spectroscopy, elastic recoil detection analysis, and high-resolution transmission electron microscopy have been employed to unearth the compositional dependence of glass corrosion in hyper-alkaline environments. The glass compositions underwent congruent corrosion in the forward rate regime, whereas the controlling mechanism of corrosion in the residual rate regime depends on the presence/absence of Ca in the surrounding environment and can be explained on the basis of the dissolution–reprecipitation model. The dependence of corrosion kinetics and the chemistry of alteration products (in the residual rate regime) on the glass composition have been discussed. Here, the results presented in this contribution will ultimately supplement the scientific literature attempting to understand the fundamental science governing the aqueous corrosion of silicate-based glass chemistries and add to the growing database required to develop non-empirical predictive models for designing glasses with controlled dissolution rates.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2001

High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

Freedman, Richard S.↗
NASA NTRS2000

Atomic Data in X-Ray Astrophysics

With the launches of the Chandra X-ray Observatory (CXO) and the X-ray Multimirror Mission (XMM) and the upcoming launch of the Japanese mission ASTRO-E, high resolution X-ray spectroscopy of cosmic sources has begun. Early, deep observations of three stellar coronal sources will provide not only invaluable calibration data, but will also give us benchmarks for the atomic data under collisional equilibrium conditions. Analysis of the Chandra X-ray Observatory data, and data from other telescopes taken simultaneously, for these stars is ongoing as part of the Emission Line Project. Goals of the Emission Line Project are: (1) to determine and verify accurate and robust diagnostics and (2) to identify and prioritize issues in fundamental spectroscopy which will require further theoretical and/or laboratory work. The Astrophysical Plasma Emission Database will be described in some detail, as it is introducing standardization and flexibility into X-ray spectral modeling. Spectral models of X-ray astrophysical plasmas can be generally classified as dominated by either collisional ionization or by X-ray photoionization. While the atomic data needs for spectral models under these two types of ionization are significantly different, there axe overlapping data needs, as I will describe. Early results from the Emission Line Project benchmarks are providing an invaluable starting place, but continuing work to improve the accuracy and completeness of atomic data is needed. Additionally, we consider the possibility that some sources will require that both collisional ionization and photoionization be taken into account, or that time-dependent ionization be considered. Thus plasma spectral models of general use need to be computed over a wide range of physical conditions.

Brickhouse, N. S.↗
DOE OSTI2022

The COS Legacy Archive Spectroscopy Survey (CLASSY) Treasury Atlas

Far-ultraviolet (FUV; ~1200–2000 Å) spectra are fundamental to our understanding of star-forming galaxies, providing a unique window on massive stellar populations, chemical evolution, feedback processes, and reionization. The launch of the James Webb Space Telescope will soon usher in a new era, pushing the UV spectroscopic frontier to higher redshifts than ever before; however, its success hinges on a comprehensive understanding of the massive star populations and gas conditions that power the observed UV spectral features. This requires a level of detail that is only possible with a combination of ample wavelength coverage, signal-to-noise, spectral-resolution, and sample diversity that has not yet been achieved by any FUV spectral database. We present the Cosmic Origins Spectrograph Legacy Spectroscopic Survey (CLASSY) treasury and its first high-level science product, the CLASSY atlas. CLASSY builds on the Hubble Space Telescope (HST) archive to construct the first high-quality (S/N 1500 Å ≳ 5/resel), high-resolution (R ~ 15,000) FUV spectral database of 45 nearby (0.002 < z < 0.182) star-forming galaxies. The CLASSY atlas, available to the public via the CLASSY website, is the result of optimally extracting and coadding 170 archival+new spectra from 312 orbits of HST observations. The CLASSY sample covers a broad range of properties including stellar mass (6.2 < log M * (M ⊙ ) < 10.1), star formation rate (–2.0 < log SFR (M ⊙ yr –1 ) < +1.6), direct gas-phase metallicity (7.0 < 12+log(O/H) < 8.8), ionization (0.5 < O 32 < 38.0), reddening (0.02 < E(B – V) < 0.67), and nebular density (10 < n e (cm –3 ) < 1120). CLASSY is biased to UV-bright star-forming galaxies, resulting in a sample that is consistent with the z ~ 0 mass–metallicity relationship, but is offset to higher star formation rates by roughly 2 dex, similar to z ≳ 2 galaxies. This unique set of properties makes the CLASSY atlas the benchmark training set for star-forming galaxies across cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

MnEdgeNet for accurate decomposition of mixed oxidation states for Mn XAS and EELS L2,3 edges without reference and calibration

Accurate decomposition of the mixed Mn oxidation states is highly important for characterizing the electronic structures, charge transfer and redox centers for electronic, and electrocatalytic and energy storage materials that contain Mn. Electron energy loss spectroscopy (EELS) and soft X-ray absorption spectroscopy (XAS) measurements of the Mn L2,3 edges are widely used for this purpose. To date, although the measurements of the Mn L2,3 edges are straightforward given the sample is prepared properly, an accurate decomposition of the mix valence states of Mn remains non-trivial. For both EELS and XAS, 2+, 3+, and 4+ reference spectra need to be taken on the same instrument/beamline and preferably in the same experimental session because the instrumental resolution and the energy axis offset could vary from one session to another. To circumvent this hurdle, in this study, we adopted a deep learning approach and developed a calibration-free and reference-free method to decompose the oxidation state of Mn L2,3 edges for both EELS and XAS. A deep learning regression model is trained to accurately predict the composition of the mix valence state of Mn. To synthesize physics-informed and ground-truth labeled training datasets, we created a forward model that takes into account plural scattering, instrumentation broadening, noise, and energy axis offset. With that, we created a 1.2 million-spectrum database with 1-by-3 oxidation state composition ground truth vectors. The library includes a sufficient variety of data including both EELS and XAS spectra. By training on this large database, our convolutional neural network achieves 85% accuracy on the validation dataset. We tested the model and found it is robust against noise (down to PSNR of 10) and plural scattering (up to t/λ = 1). We further validated the model against spectral data that were not used in training. In particular, the model shows high accuracy and high sensitivity for the decomposition of Mn 3 O 4 , MnO, Mn 2 O 3 , and MnO 2 . The accurate decomposition of Mn 3 O 4 experimental data shows the model is quantitatively correct and can be deployed for real experimental data. Our model will not only be a valuable tool to researchers and material scientists but also can assist experienced electron microscopists and synchrotron scientists in the automated analysis of Mn L edge data.

25 ENERGY STORAGE↗
DOE OSTI2024

Using convolutional neural networks to detect edge localized modes in DIII-D from Doppler backscattering measurements

In H-mode tokamak plasmas, the plasma is sometimes ejected beyond the edge transport barrier. These events are known as edge localized modes (ELMs). ELMs cause a loss of energy and damage the vessel walls. Understanding the physics of ELMs, and by extension, how to detect and mitigate them, is an important challenge. In this paper, we focus on two diagnostic methods—deuterium-alpha (D α ) spectroscopy and Doppler backscattering (DBS). The former detects ELMs by measuring Balmer alpha emission, while the latter uses microwave radiation to probe the plasma. DBS has the advantages of having a higher temporal resolution and robustness to damage. These advantages of DBS diagnostic may be beneficial for future operational tokamaks, and thus, data processing techniques for DBS should be developed in preparation. In sight of this, we explore the training of neural networks to detect ELMs from DBS data, using D α data as the ground truth. With shots found in the DIII-D database, the model is trained to classify each time step based on the occurrence of an ELM event. The results are promising. When tested on shots similar to those used for training, the model is capable of consistently achieving a high f1-score of 0.93. Furthermore, this score is a performance metric for imbalanced datasets that ranges between 0 and 1. We evaluate the performance of our neural network on a variety of ELMs in different high confinement regimes (grassy ELM, RMP mitigated, and wide-pedestal), finding broad applicability. Beyond ELMs, our work demonstrates the wider feasibility of applying neural networks to data from DBS diagnostic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1996

On the Assessment and Uncertainty of Atmospheric Trace Gas Burden Measurements with High Resolution Infrared Solar Occultation Spectra from Space by the ATMOS Experiment

The Atmospheric Trace Molecule Spectroscopy (ATMOS) instrument is a high resolution Fourier transform spectrometer that measures atmospheric composition from low Earth orbit with infrared solar occultation sounding in the limb geometry. Following an initial flight in 1985, ATMOS participated in the Atmospheric Laboratory for Applications and Science (ATLAS) 1, 2, and 3 Space Shuttle missions in 1992, 1993, and 1994 yielding a total of 440 occultation measurements over a nine year period. The suite of more than thirty atmospheric trace gases profiled includes CO2, O3, N2O, CH4, H2O, NO, NO2, HNO3, HCl, HF, ClONO2, CCl3F, CCl2F2, CHF2Cl, and N2O5. The analysis method has been revised throughout the mission years culminating in the 'version 2' data set. The spectroscopic error analysis is described in the context of supporting the precision estimates reported with the profiles; in addition, systematic uncertainties assessed from the quality of the spectroscopic database are described and tabulated for comparisons with other experiments.

Abrams, M. C.↗
NASA NTRS2018

The Volatile Composition of Comet C/2017 E4 (Lovejoy) before its Disruption, as Revealed by High-Resolution Infrared Spectroscopy with iSHELL at the NASA/IRTF

In 2017 April, we acquired comprehensive high-resolution spectra of newly discovered comet C/2017 E4 (Lovejoy) as it approached perihelion, and before its disintegration. We detected many cometary emission lines in the range (2.8-5.3) μm, in four customized instrument settings (L1-c, L3, Lp1-c, and M1) of iSHELL-the new near-IR high-resolution immersion echelle spectrograph at NASA/IRTF (Maunakea, Hawaii). We identified 12 molecular species: nine primary volatiles (H2O, HCN, NH3, CO, C2H2, C2H6, CH4, CH3OH, H2CO) and three product species (CN, NH2, OH). We detected 85 H2O emission lines from 12 water vibrational bands across L1-c and M1 settings. The many detected water emission lines enabled retrieval of accurate measures for ortho- and para-H2O independently, thereby reducing systematic uncertainty in the derived ortho-para ratio and nuclear spin temperature. Excitation analyses and emission profile analyses were performed for all species, and molecular abundance ratios relative to water are compared with values found for other Oort Cloud comets in our infrared database. Abundance ratios are consistent for most species, with the exception of underabundant methanol and overabundant ammonia in E4.

Faggi, S.↗
NASA NTRS2018

The Volatile Composition of Comet C/2017 E4 (Lovejoy) Before Its Disruption, as Revealed by High-Resolution Infrared Spectroscopy with iSHELL at the NASA-IRTF

In April 2017, we acquired comprehensive high-resolution spectra of newly-discovered comet C/2017 E4 (Lovejoy) as it approached perihelion, and before its disintegration. We detected many cometary emission lines in the (2.8–5.3)μm range, in four customized instrument settings (L1-c, L3, Lp1-cand M1) of iSHELL -the new near-IR high resolution immersion echelle spectrograph at NASA/IRTF (Maunakea, Hawaii). We identified twelve molecular species; nine primary volatiles (H2O, HCN, NH3, CO, C2H2, C2H6, CH4, CH3OH, H2CO) and three product species (CN, NH2,OH). We detected 85H2O emission lines from 12 water vibrational bands across L1-c and M1 settings. The many detected water emission lines enabled retrieval of accurate measures for ortho-and para-H2O independently, thereby reducing systematic uncertainty in the derived ortho-para ratio and nuclear spin temperature. Excitation analyses and emission profile analyses were performed for all species, and molecular abundance ratios relative to water are compared with values found for other Oort Cloud comets in our infrared database. Abundance ratios are consistent for most species, with the exception of under-abundant methanol and over-abundant ammonia in E4.

S. Faggi↗
NASA NTRS2002

Microwave, Millimeter, Submillimeter, and Far Infrared Spectral Databases

The spectrum of most known astrophysical molecules is derived from transitions between a few hundred to a few hundred thousand energy levels populated at room temperature. In the microwave and millimeter wave regions. spectroscopy is almost always performed with traditional microwave techniques. In the submillimeter and far infrared microwave technique becomes progressively more technologically challenging and infrared techniques become more widely employed as the wavelength gets shorter. Infrared techniques are typically one to two orders of magnitude less precise but they do generate all the strong features in the spectrum. With microwave technique, it is generally impossible and rarely necessary to measure every single transition of a molecular species, so careful fitting of quantum mechanical Hamiltonians to the transitions measured are required to produce the complete spectral picture of the molecule required by astronomers. The fitting process produces the most precise data possible and is required in the interpret heterodyne observations. The drawback of traditional microwave technique is that precise knowledge of the band origins of low lying excited states is rarely gained. The fitting of data interpolates well for the range of quantum numbers where there is laboratory data, but extrapolation is almost never precise. The majority of high resolution spectroscopic data is millimeter or longer in wavelength and a very limited number of molecules have ever been studied with microwave techniques at wavelengths shorter than 0.3 millimeters. The situation with infrared technique is similarly dire in the submillimeter and far infrared because the black body sources used are competing with a very significant thermal background making the signal to noise poor. Regardless of the technique used the data must be archived in a way useful for the interpretation of observations.

Pearson, J. C.↗
NASA NTRS2000

High Resolution Spectroscopy to Support Atmospheric Measurements

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as carbon dioxide, water vapor, ozone, methane, and carbon monoxide, to name a few. Measurements were made using the NASA Langley Tunable Diode Laser Spectrometer System (TDL) and several Fourier Transform Spectrometer Systems (FTS) around the globe. The results from these studies made remarkable improvements in the line positions and intensities for several molecules, particularly ozone and carbon dioxide in the 2 to 17-micrometer spectral region. Measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced line shift coefficients for infrared transitions of ozone, methane, and water vapor were also performed. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon- and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields.

Benner, D. Chris↗
NASA NTRS2000

High Resolution Spectroscopy to Support Atmospheric Measurements

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as carbon dioxide, water vapor, ozone, methane, and carbon monoxide, to name a few. Measurements were made using the NASA Langley Tunable Diode Laser Spectrometer System (TDL) and several Fourier Transform Spectrometer Systems (FTS) around the globe. The results from these studies made remarkable improvements in the line positions and intensities for several molecules, particularly ozone and carbon dioxide in the 2 to 17-micrometer spectral region. Measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced line shift coefficients for infrared transitions of ozone, methane, and water vapor were also performed. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon-and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields.

Benner, D. Chris↗
DOE OSTI2025

In-orbit operation of Resolve Filter Wheel and modulated X-ray source

The Resolve soft X-ray spectrometer is a high spectral resolution microcalorimeter spectrometer for the X-ray Imaging and Spectroscopy Mission. In the beam of Resolve, there is a filter wheel containing X-ray filters. In the beam, there is also an active calibration source, the modulated X-ray source (MXS), which can provide pulsed X-rays to facilitate gain calibration. The filter wheel consists of six filter positions. Two open positions, one 55 Fe source to aid in spectrometer characterization during the commissioning phase, and three transmission filters: a neutral density filter, an optical blocking filter, and a beryllium filter. The X-ray intensity, pulse period, and pulse separation of an MXS are highly configurable. Furthermore, the switch-on time is synchronized with the spacecraft’s internal clock to give accurate start and end times of the pulses. One of the issues raised during ground testing was the susceptibility of an MXS at high voltage to ambient light. Although measures were taken to mitigate the light leak, the efficacy of those measures must be verified in orbit. Along with an overview of issues raised during ground testing, we will discuss the calibration source and the filter performance in-flight and compare with the transmission curves present in the Resolve calibration database.

X-ray Imaging and Spectroscopy Mission/Resolve↗
DOE OSTI2025

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2006

High Resolution Spectroscopy to Support Atmospheric Measurements

The major research activities performed during the cooperative agreement enhanced our spectroscopic knowledge of molecules of atmospheric interest such as H2O (water vapor), O3 (ozone), HCN (hydrogen cyanide), CH4 (methane), NO2 (nitrogen dioxide) and CO (carbon monoxide). The data required for the analyses were obtained from two different Fourier Transform Spectrometers (FTS); one of which is located at the National Solar Observatory (NSO) on Kitt Peak, Arizona and the other instrument is located at the Pacific Northwest National Laboratories (PNNL) at Richland, Washington. The data were analyzed using a modified multispectrum nonlinear least squares fitting algorithm developed by Dr. D. Chris Benner of the College of William and Mary. The results from these studies made significant improvements in the line positons and intensities for these molecules. The measurements of pressure broadening and pressure induced line shift coefficients and the temperature dependence of pressure broadening and pressure induced shift coefficients for hundreds of infrared transitions of HCN, CO3 CH4 and H2O were also performed during this period. Results from these studies have been used for retrievals of stratospheric gas concentration profiles from data collected by several Upper Atmospheric Research Satellite (UARS) infrared instruments as well as in the analysis of high resolution atmospheric spectra such as those acquired by space-based, ground-based, and various balloon- and aircraft-borne experiments. Our results made significant contributions in several updates of the HITRAN (HIgh resolution TRANsmission) spectral line parameters database. This database enjoys worldwide recognition in research involving diversified scientific fields. The research conducted during the period 2003-2006 has resulted in publications given in this paper. In addition to Journal publications, several oral and poster presentations were given at various Scientific conferences within the United States and abroad.

Venkataraman, Malathy Devi↗
NASA NTRS2006

AstroBiology Explorer Mission Concepts (ABE/ASPIRE)

The AstroBiology Explorer (ABE) and the Astrobiology Space InfraRed Explorer (ASPIRE) Mission Concepts are two missions designed to address the questions (1) Where do we come from? and (2) Are we alone? as outlined in NASA s Origins Program using infrared spectroscopy to explore the identity, abundance, and distribution of molecules of astrobiological importance throughout the Universe. The ABE mission s observational program is focused on six tasks to: (1) Investigate the evolution of ice and organics in dense clouds and star formation regions, and the young stellar/planetary systems that form in them; (2) Measure the evolution of complex organic molecules in stellar outflows; (3) Study the organic composition of a wide variety of solar system objects including asteroids, comets, and the planets and their satellites; (4) Identify organic compounds in the diffuse interstellar medium and determine their distribution , abundance, and change with environment; (5) Detect and identify organic compounds in other galaxies and determine their dependence on galactic type; and (6) Measure deuterium enrichments in interstellar organics and use them as tracers of chemical processes. The ASPIRE mission s observational program expands upon ABE's core mission and adds tasks that (7) Address the role of silicates in interstellar organic chemistry; and (8) Use different resolution spectra to assess the relative roles and abundances of gas- and solid-state materials. ABE (ASPIRE) achieves these goals using a highly sensitive, cryogenically-cooled telescope in an Earth drift-away heliocentric orbit, armed with a suite of infrared spectrometers that cover the 2.5-20(40) micron spectral region at moderate spectral resolution (R>2000). ASPIRE's spectrometer complement also includes a high-resolution (R>25,000) module over the 4-8 micron spectral region. Both missions target lists are chosen to observe a statistically significant sample of a large number of objects of varied types in support of the tasks outline above. The ABE and ASPIRE mission lifetimes are designed to be 14 months and 3 years, respectively, both with significant cryogen and propellant lifetime margins to support an extended observing campaign. The ABE/ASPIRE mission concepts and their supporting Science Teams are led by Principal Investigator Dr. Scott Sandford of NASA s Ames Research Center, with industry partner Ball Aerospace Technologies Ltd., and managed by Jet Propulsion Laboratory. The ABE/ASPIRE Science Operations will be carried out at NASA s Ames Research Center, and the ABE/ASPIRE database will be archived at Caltech/IPAC.

Sandford, Scott↗
DOE OSTI2020

Large Volume Airborne Contamination Monitoring To Support Nuclear Processes' Deactivation and Decommissioning

Current D and D operations at Hanford have demonstrated a flaw in the current state of the art capability of defining airborne contamination boundaries - Airborne particulate emissions of Pu-239 from CM2H operations on the Hanford Pu Finishing Plant were detected well beyond areas controlled for airborne Pu, putting numerous workers at risk for radiological assimilations - Current air samplers and CAM systems were surveying insufficient volumes of air to accurately predict where respiratory protection was required - Hanford is located in a high radon environment, making air monitoring for alpha emitting actinides challenging in high alpha radon induced backgrounds. - Inexpensive HEPA based home and industrial air purifiers filter significantly higher volumes of air than commercially available continuous-air monitoring (CAM) systems. - Inexpensive models capable of filtered air volumes exceeding 1000 times that of a CAM. - Detector system can be built to detect x-rays generated from actinide decay. - Branching ratios of x-rays are 4 orders of magnitude more intense from Plutonium decay than its gamma emissions. - Detector system can be a low resolution systems, as x-ray region of interest is not terribly congested. - Detection systems evaluated will be designed based on slabs of NaI or pixelated NaI or CsI panels. - Simple graphical user interface software will be developed to operate the detection system. - Concept is to deploy some of these air-purifying systems in nonradiological areas around SRNL to confirm radon can be rejected with confidence. - Generate some filters contaminated with plutonium via electroplated Pu or lab generated simulated particles. - then deploy units in known airborne radiological environments to establish systems ability to accurately measure actinide based hot particles Lab analyses will follow up the system analyses to ensure hot particles were correctly identified. Analysis by Scintillation: - Application of scintillation media to the surface of the filters is being explored. - Evaluating slabs of ZnS(Ag), application of powdered ZnS(Cu) and spray on Perkin Elmer Enhance. - Scintillation events would then be digitized with a digital camera and quantified. - Comparing against sensitivity of a PMT or SiPD readout. - Currently evaluating a Thorlabs 8 Megapixel Monochrome Scientific CCD Camera, hermetically sealed cooled package with a wide angle lens. - Wide angle lens allows complete view of HEPA filter from 7 inches away. - Images taken of glow in the dark paint, as well as plutonium-induced fluorescence. - Plutonium was flamed mounted on a 1 inch diameter stainless steel planchet, covered with a layer of mylar and a section of scintillating ZnS obtained from Eljon. - Currently working on reducing signal-to-noise levels to boost sensitivity. - Dark box to hold contaminated or electroplated source covered filters under fabrication. Analysis by x-ray Spectroscopy: - Branching ratios for x-ray emissions from Plutonium isotopes are orders of magnitude more intense than gamma-ray emissions. - The nuclear databases are incomplete on the branching ratios of some of the isotopes. - Evaluating some custom built SrI2 x-ray spectrometers vs a conventional windowed NaI detector. - SrI2 detectors are carbon-composite-windowed 51 mm x 51 mm. - MCNP calculations to establish self absorbance of filter media on 17 keV x-ray. Radon Rejection: - Activated charcoal pre-filter acts as a Radon trap. - Adding a time lapse feature to camera to aid in radon rejection. SRS Plutonium Fuel Form D and D Operations: Currently deploying air sampler to D and D operation of Pu-238 facility at SRS to generate some field samples to analyze.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗