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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Discovering hidden geothermal signatures using non-negative matrix factorization with customized k-means clustering

Discovery of hidden geothermal resources is challenging. It requires the mining of large datasets with diverse data attributes representing subsurface hydrogeological and geothermal conditions. The commonly used play fairway analysis approach typically incorporates subject-matter expertise to analyze regional data to estimate geothermal characteristics and favorability. We demonstrate an alternative approach based on machine learning (ML) to process a geothermal dataset from southwest New Mexico (SWNM). The study region includes low- and medium-temperature hydrothermal systems. Several of these systems are not well characterized because of insufficient existing data and limited past explorative work. This study discovers hidden patterns and relations in the SWNM geothermal dataset to improve our understanding of the regional hydrothermal conditions and energy-production favorability. This understanding is obtained by applying an unsupervised ML algorithm based on non-negative matrix factorization coupled with customized k-means clustering (NMFk). NMFk can automatically identify (1) hidden signatures characterizing analyzed datasets, (2) the optimal number of these signatures, (3) the dominant data attributes associated with each signature, and (4) the spatial distribution of the extracted signatures. Here, in this study, NMFk is applied to analyze 18 geological, geophysical, hydrogeological, and geothermal attributes at 44 locations in SWNM. Using NMFk, we find data patterns and identify the spatial associations of hydrothermal signatures within two physiographic provinces (Colorado Plateau and Basin and Range) and two sub-regions of these provinces (the Mogollon-Datil volcanic field and the Rio Grande rift) in SWNM. The ML algorithm extracted five hydrothermal signatures in the SWNM datasets that differentiate between low (<90°C) and medium (90-150°C)-temperature hydrothermal systems. The algorithm also suggests that the Rio Grande rift and northern Mogollon-Datil volcanic field are the most favorable regions for future geothermal resource discovery. NMFk also identified critical attributes to identify medium-temperature hydrothermal systems in the study area. The resulting NMFk model can be applied to predict geothermal conditions and their uncertainties at new SWNM locations based on limited data from unexplored regions. The code to execute the performed analyses as well as the corresponding data can be found at https://github.com/SmartTensors/GeoThermalCloud.jl.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework

The appeal of multiscale modeling approaches is predicated on the promise of combinatorial synergy. However, this promise can only be realized when distinct scales are combined with reciprocal consistency. Here, we consider multiscale molecular dynamics (MD) simulations that combine the accuracy and macromolecular flexibility accessible to fixed-charge all-atom (AA) representations with the sampling speed accessible to reductive, coarse-grained (CG) representations. AA-to-CG conversions are relatively straightforward because deterministic routines with unique outcomes are achievable. Conversely, CG-to-AA conversions have many solutions due to a surge in the number of degrees of freedom. While automated tools for biomolecular CG-to-AA transformation exist, we find that one popular option, called Backward, is prone to stochastic failure and the AA models that it does generate frequently have compromised protein structure and incorrect stereochemistry. Although these shortcomings can likely be circumvented by human intervention in isolated instances, automated multiscale coupling requires reliable and robust scale conversion. In this work, we detail an extension to Multiscale Machine-learned Modeling Infrastructure (MuMMI), including an improved CG-to-AA conversion tool called sinceCG. This tool is reliable (~98% weakly correlated repeat success rate), automatable (no unrecoverable hangs), and yields AA models that generally preserve protein secondary structure and maintain correct stereochemistry. We describe how the MuMMI framework identifies CG system configurations of interest, converts them to AA representations, and simulates them at the AA scale while on-the-fly analyses provide feedback to update CG parameters. Application to systems containing the peripheral membrane protein RAS and proximal components of RAF kinase on complex eight-component lipid bilayers with ~1.5 million atoms is discussed in the context of MuMMI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

A Study of Direct and Cloud-Mediated Radiative Forcing of Climate Due to Aerosols

The Intergovernmental Panel on Climate Change (IPCC) has reported that in the southeastern US and eastern China, the general greenhouse warming due to anthropogenic gaseous emissions is dominated by the cooling effect of anthropogenic aerosols. To verify this model prediction in eastern China and southeastern US, we analyzed regional patterns of climate changes at 72 stations in eastern China during 1951- 94 (44 years), and at 52 stations in the southeastern US during 1949-94 (46 years) to detect the fingerprint of aerosol radiative forcing. It was found that the mean rates of change of annual mean daily, maximum, minimum temperatures and diurnal temperature range (DTR) in eastern China were 0.8, -0.2, 1.8, and -2.0 C/100 years respectively, while the mean rates of change of annual mean daily, maximum, minimum temperatures and DTR in the southeastern US were -0.2, -0.6, 0.2, and -0.8 C/100 years, respectively. This indicates that the high rate of increase in annual mean minimum temperature in eastern China results in a slightly warming trend of daily temperature, while the high rate of decrease in annual mean maximum temperature and low rate of increase in annual mean minimum temperature lead to the cooling trend of daily temperature in the southeastern US. We found that the warming from the longwave forcing due to both greenhouse gases and aerosols was completely counteracted by the shortwave aerosol forcing in the southeastern US in the past 46 years. A slightly overall warming trend in eastern China is evident; winters have become milder. This finding is explained by hypothesizing that increasing energy usage during the past 44 years has resulted in more coal and biomass burning, thus increasing the emission of absorbing soot and organic aerosols in eastern China. Such emissions, in addition to well-known Asia dust and greenhouse gases, may be responsible for the winter warming trend in eastern China that we have reported here. The sensitivity of aerosol radiative properties to aerosol composition, size distribution, relative humidity (RH) is examined for the following aerosol systems: inorganic and organic ions (Cl-, Br-, NO3 -, SO4 2-, Na+, NH4 +, K+, Ca2+, Mg2+, HCOO-, CH3COO-, CH3CH2COO-, CH3COCOO-, OOCCOO2-, MSA-1); water-insoluble inorganic and organic compounds (elemental carbon, n-alkanes, SiO2, Al2O3, Fe2O3 and other organic compounds). The partial molar refraction method was used to calculate the real part of the refractive index. It was found that the asymmetry factor increased by approximately 48% with the real part varying from 1.40 to 1.65, and the single scattering albedo decreased by 24% with the imaginary part varying from -0.005 to -0.1. The asymmetry factor increased by 5.4 times with the geometric standard deviation varying from 1.2 to 3.0. The radiation transmission is very sensitive to the change in size distribution; other factors are not as significant. To determine the aerosol direct radiative forcing (ADRF), the aerosol optical depth (AOD) values at the three operational wavelengths (415, 500 and 673 nm) were determined at a regionally representative site, namely, Mt. Gibbs (35.78 deg N, 82.29 deg W, elevation 2006 m) in Mt. Mitchell State Park, NC, and a site located in an adjacent valley (Black Mountain, 35.66 deg N, 82.38 deg W, elevation 951 m) in the southeastern US. The two sites are separated horizontally by 10 km and vertically by 1 km. It was found that the representative total AOD values at 500 nm at the valley site for highly polluted (HP), marine (M) and continental (C) air masses were 0.68 +/- 0.33, 0.29 +/- 0.19 and 0.10 +/- 0.04, respectively. A search-graph method was used to retrieve the columnar size distribution (number concentration N, effective radius reff and geometric standard deviation=?g) from the optical depth observations at three operational wavelengths. The ground albedo, single scattering albedo and imaginary part of the refractive index were calculated using a mathematically unique procedure involving a Mie code and a radiative transfer code in conjunction with the retrieved aerosol size distribution, AOD, and diffuse-direct irradiance ratio. It was found that N, r(eff) and sigma(g) were in the ranges of 10 to 1.7 x 10(exp 4)/cubic cm, 0.09 to 0.68 micrometers and 1.12 to 2.95, respectively. The asymmetry factor and single scattering albedo were in the ranges of 0.63 to 0.75 and 0.74 to 0.97 respectively. The ground albedo for the forested terrain and imaginary part of refractive index were found to be in the ranges of 0.06 to 0.29 and 0.005 to 0.051 respectively. On the basis of these aerosol radiative properties obtained at the research sites and computations using the Column Radiation Model (CRM) of National Center of Atmospheric Research (NCAR) Community Climate Model (CCM3), it was found that the average cloud-free 24-hour ADRF values were -13 +/- 8, -8 +/- 3, -33 +/- 16 W/square m for marine, continental, and polluted air masses, respectively. On the assumption that the fractional coverage of clouds is 0.61, it was estimated that the annual mean ADRF was 7 +/- 2 W/square m in the southeastern US. The review with respect to the current knowledge of organic acids shows that aerosol formate and acetate concentrations range from 0.02 to 5.3 nmol/cubic m and from 0.03 to 12.4 nmol/cubic m respectively, and that between 34% to 77% of formate and between 21% to 66% of acetate are present in the fine fraction of aerosols. It was found that although most (98-99%) of these volatile organic acids were present in the gas phase, their concentrations in the aerosol particles were sufficient to make them a good candidate for cloud condensation nuclei (CCN). It is hypothesized that organic acids are at least one of the primary sources of CCN in the atmosphere due to their ubiquitous presence in the troposphere, especially over the continental forested areas. The results of our measurements at Palmer Station, Antarctica show that the daily average CCN concentrations at 0.3% and 1% supersaturations ranged from 0.3 to 160/cubic cm and from 4 to 168/cubic cm, respectively, during the period from 17 January to 26 February, 1994. New evidence for substantial and definitive CCN enhancement near and within cloud has been observed at Mt. Mitchell, North Carolina. The results show that the average monthly CCN concentrations were 460 +/- 217, 386 +/- 286, 429 +/- 228 and 238 +/- 134/cubic cm for in-cloud, overcast, clear and rainy conditions, respectively. The typical CCN spectra show that there were a lot of small CCN produced and the ion concentrations (especially H+ and SO4 2-) were very high during the CCN enhancement period. The significantly positive correlation between black carbon (BC) and CCN at 1% supersaturation indicates that a percentage of the BC measured at the site may be in the form of an internal mixture and participated in the formation of CCN.

Yu, Shao-Cai↗
DOE OSTI2022

Interpreting machine learning prediction of fire emissions and comparison with FireMIP process-based models

Annual burned areas in the United States have increased 2-fold during the past decades. With more large fires resulting in more emissions of fine particulate matter, an accurate prediction of fire emissions is critical for quantifying the impacts of fires on air quality, human health, and climate. This study aims to construct a machine learning (ML) model with game-theory interpretation to predict monthly fire emissions over the contiguous US (CONUS) and to understand the controlling factors of fire emissions. The optimized ML model is used to diagnose the process-based models in the Fire Modeling Intercomparison Project (FireMIP) to inform future development. Results show promising performance for the ML model, Community Land Model (CLM), and Joint UK Land Environment Simulator-Interactive Fire And Emission Algorithm For Natural Environments (JULES-INFERNO) in reproducing the spatial distributions, seasonality, and interannual variability of fire emissions over the CONUS. Regional analysis shows that only the ML model and CLM simulate the realistic interannual variability of fire emissions for most of the subregions (r >0.95 for ML and r =0.14~0.70 for CLM), except for Mediterranean California, where all the models perform poorly (r =0.74 for ML and r <0.30 for the FireMIP models). Regarding seasonality, most models capture the peak emission in July over the western US. However, all models except for the ML model fail to reproduce the bimodal peaks in July and October over Mediterranean California, which may be explained by the smaller wind speeds of the atmospheric forcing data during Santa Ana wind events and limitations in model parameterizations for capturing the effects of Santa Ana winds on fire activity. Furthermore, most models struggle to capture the spring peak in emissions in the southeastern US, probably due to underrepresentation of human effects and the influences of winter dryness on fires in the models. As for extreme events, both the ML model and CLM successfully reproduce the frequency map of extreme emission occurrence but overestimate the number of months with extremely large fire emissions. Comparing the fire PM 2.5 emissions from the ML model with process-based fire models highlights their strengths and uncertainties for regional analysis and prediction and provides useful insights into future directions for model improvements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Markets and Economic Requirements for Fission Batteries and Other Nuclear Systems

Fission Batteries (FBs) are nuclear reactors defined by five characteristics which enable large-scale deployment: cost competitive, standardized sizes for economic mass production, easy installation and removal, secure and safe unattended operation with high reliability. FBs are not defined by technology or power level. Technical and market considerations suggest that most FBs will produce 20 to 30 MWt. This proceedings reports on the outcomes of two workshops that were held in January 2021 to better define markets and economic challenges for FBs. Three major markets were identified. The largest market is the industrial and commercial heat market. There are about 4000 industrial users (excluding utilities) that require more than one megawatt of heat. The number of customers versus size of heat demand was determined. In a low-carbon world there is the potential for many additional customers—including expanded biofuels production and district heat. The second market is for non-grid electricity. This includes co-generation plants that produce heat and electricity for a single customer. The third market is the maritime market with ~100,000 ships worldwide. In the United States, natural gas is the low-cost energy option today and will remain so unless constraints or taxes impact its use. If restrictions on greenhouse gas emissions, the FB competition includes natural gas with carbon capture, biofuels, hydrogen and grid electricity. Natural gas with carbon capture is not economically viable on a small scale. Biofuels may be expensive but may be the economically preferred option for locations with small energy demands of a few megawatts. Hydrogen is a potential competitor with many of the characteristics of natural gas. Grid electricity is not a competitive source of heat. For FBs to be economically competitive, the price of delivered heat must be $20-50/MWh ($6-15/million BTU). The economically competitive range for non-grid electricity is estimated at $70-100/MWh. These electricity prices are competitive with the retail prices of electricity in many parts of the United States for the customer. FBs are not expected to be competitive selling wholesale electricity to the grid. To achieve the aforementioned cost targets for heat and electricity markets, FB designers must (1) maximize the power output within the constraints of a FB (e.g., truck transportability, passive decay heat removal), (2) drastically reduce the size of onsite staff, (3) adopt core designs with low fuel costs (enrichment and fabrication), and (4) develop a system design that is efficiently manufactured in factories. The business case depends upon more than being just a replacement for natural gas. The largest incentives for adoption of FBs is where they create new markets and new sources of revenue. An example is the paper and pulp industry that burns biomass wastes to provide heat and electricity to make paper. An external heat source could meet the demand for heat and electricity by the paper process and enable converting waste biomass into liquid biofuels rather than burning to provide heat. Other markets, such as data centers, are driven by special energy requirements such as extreme reliability. Most customers are not in the energy business but need heat and electricity to produce a product—a manufactured good, education, retail sales (shopping malls), marine transport or some other product. As a consequence, there will be large incentives to lease rather than own FBs. Leasing avoids the regulatory challenges that remain with the owner of the FB. Leasing creates large incentives for FP standardization of sizes and transportability to maintain the value of the FB at the end of the lease—similar to the leasing of jet engines and aircraft. The economic constraints combined with technical constraints suggest competitive FBs will likely have outputs exceeding 10 MWt. There appear to be little incentives for very long-lived reactor cores because such machines require much larger inventories of fuel. Maintenance requirements and the options to provide technology updates may favor shorter lifetimes (~5 years). The assessment is that there is the potential for FBs to be economically viable and play a major role in global decarbonization in three markets: heat, non-grid electricity and maritime applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Development of a Direct Neutral Density Diagnostic for Fusion Edge Plasmas

As magnetically confined plasmas progress towards ignition and long pulse experiments, measurement and control of the neutral density in the plasma edge has become a critical issue for stability, formation of transport barriers, and fueling. Recent experiments by our research group have demonstrated that is possible to use two-photon absorption laser induced fluorescence (TA-LIF) to directly measure the density of neutral hydrogen in helicon sources and in the HIT-SI3 spheromak. While those experiments validated key elements of a diagnostic system that would enable similar measurements in tokamak plasmas, they did not fully address the issue of performance optimization in the presence of intense background light at the fluorescence wavelength and they also identified a number of other issues that must be resolved before successful TALIF neutral density measurements in a tokamak are likely to be achieved. Additional specific concerns raised during design reviews with the leadership of the DIII-D tokamak facility included: the minimum detection threshold for this TALIF diagnostic (currently ~ 5 x 10 15 m -3 ) and the rate at which neutral density measurements could be obtained. Improving the system performance to reduce the minimum detection threshold and demonstrating a faster rate of density determination are required to advance this diagnostic to the level where it could be considered for implementation on a major tokamak facility in the USA. The key issues that will be addressed through additional technological development are: validation of a new, chromatic aberration-free, xenon calibration scheme; increasing the output power of the laser; and suppression of background emission at the fluorescence wavelength through optimization of the collection optics and gating of the photomultiplier detector with a goal of obtaining a minimum detection threshold of 5 x 10 14 m -3 . Another key technological development, so far only tested in helicon source experiments, is the validation of Doppler-free TALIF as a means of obtaining higher speed, calibrated, neutral density measurements in tokamak-like conditions at the full cadence of the pulsed TALIF laser. In this work, we propose to complete these technological advancements through installation and testing of our prototype TALIF system on the proto-MPEX experiment at Oak Ridge National Laboratory (ORNL). The proto-MPEX facility will provide plasma conditions similar to the edge plasma of a major tokamak experiment but with pulse lengths and pulse repetition rates ideally suited for extensive development of a TALIF neutral density diagnostic. Measurement of the absolute neutral density in the edge of a magnetically confined plasma is necessary for plasma density control; calculation of charge-exchange power losses; control of plasma-wall interactions; determination of the braking of plasma flow; determination of the fuel mixture in deuterium-tritium plasma; and understanding the dynamics of the divertor region in the plasma edge. In terms of potential impact on the worldwide fusion program, we note that in burning plasma experiments, such as ITER, a 100 mJ/pulse Doppler-free TALIF diagnostic should be capable of directly measuring the deuterium/tritium (D/T) isotope ratio in the outer 0.5 to 1.0 m of the plasma radius. The D/T ratio is a critically important parameter for the control and optimization of burning plasmas. Therefore, development of the diagnostic system proposed here is also relevant to long-term US participation in diagnostic development for large tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2017

Comparisons Between NO PLIF Imaging and CFD Simulations of Mixing Flowfields for High-Speed Fuel Injectors

The current work compares experimentally and computationally obtained nitric oxide (NO) planar laser induced fluorescence (PLIF) images of the mixing flowfields for three types of high-speed fuel injectors: a strut, a ramp, and a rectangular flushwall. These injection devices, which exhibited promising mixing performance at lower flight Mach numbers, are currently being studied as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center. The EIMP aims to investigate scramjet fuel injection and mixing physics, and improve the understanding of underlying physical processes relevant to flight Mach numbers greater than eight. In the experiments, conducted in the NASA Langley Arc-Heated Scramjet Test Facility (AHSTF), the injectors are placed downstream of a Mach 6 facility nozzle, which simulates the high Mach number air flow at the entrance of a scramjet combustor. Helium is used as an inert substitute for hydrogen fuel. Both schlieren and PLIF techniques are applied to obtain mixing flowfield flow visualizations. The experimental PLIF is obtained by using a UV laser sheet to interrogate a plane of the flow by exciting fluorescence from the NO molecules, which are present in the AHSTF air. Consequently, the absence of signal in the resulting PLIF images is an indication of pure helium (fuel). The computational PLIF is obtained by applying a fluorescence model for NO to the results of the Reynolds-averaged simulations (RAS) of the mixing flow field carried out using the VULCAN-CFD solver. This approach is required because the PLIF signal is a nonlinear function of not only NO concentration, but also pressure, temperature, and the flow velocity. This complexity allows additional flow features to be identified and compared with those obtained from the computational fluid dynamics (CFD) simulations, however, such comparisons are only semiquantitative. Three-dimensional image reconstruction, similar to that used in magnetic resonance imaging, is also used to obtain images in the streamwise and spanwise planes from select cross-stream PLIF plane data. Synthetic schlieren is also computed from the RAS data. Good agreement between the experimental and computational results provides increased confidence in the CFD simulations for investigations of injector performance.

Drozda, Tomasz G.↗
DOE OSTI2023

Tracking Aerosol Convection Interactions Experiment (TRACER) Field Campaign Report

Convective clouds serve a critical role in the Earth’s energy and water cycles through their transport of heat, moisture, momentum, and chemical species through the troposphere driving the global circulation (e.g., Hartmann et al. 1984, Del Genio et al. 2012, Su et al. 2014). On more local scales, convective clouds impact the atmospheric heating profile through diabatic heating effects, removal of water from the atmospheric column through precipitation, and conditioning of the local environment impacting further development of clouds (e.g., Sullivan and Voigt 2021). These critical roles underscore the importance of realistic representation of convective processes across scales of models from large-eddy simulation (LES), to convection-permitting models (CPM; e.g., Kendon et al. 2020, Marinescu et al. 2021), to numerical weather prediction (NWP) models used for operational weather forecasting, to Earth system models used to predict climate sensitivity (Sanderson et al. 2011, Sherwood et al. 2014, Tomassini et al. 2014, Zhao et al. 2016, Cronin et al. 2017). A key component of improving model representation of convective clouds is better quantification and parameterization of updraft microphysics and dynamics, including their interactions with the surrounding environment and storm organization (Bony et al. 2015, Hagos and Houze 2016, Donner et al. 2016, Morrison et al. 2020). Aerosol is an important environmental factor that could affect convective clouds and precipitation since cloud droplet and ice formation processes are initiated by it. Andrae et al. (2004) hypothesized that aerosols associated with increased biomass burning particles acting as cloud condensation nuclei (CCN) result in smaller and more monodisperse cloud droplets leading to suppression of warm rain formation, ultimately leading to more cloud water being lofted above the freezing level based on observations in the Amazon region. The subsequent increase in latent heat release increases the buoyancy of rising convective parcels invigorating the deep convection. This work was followed by a description of the theoretical basis for this “cold-phase invigoration” by Rosenfeld et al. (2008), who argued that it could have a significant effect for deep convective clouds with warm cloud-bases. Several modeling studies (e.g., Khain et al. 2005, 2009, van den Heever et al. 2006, Fan et al. 2007, 2009, 2012, Lee et al. 2008, Storer et al. 2010, Lebo et al. 2012, Storer and van den Heever 2013, Chen et al. 2020, Dagan et al. 2022) have investigated these aerosol-convection interactions and the environmental factors that influence their relative importance and magnitude. More recently, several studies have indicated that “warm-phase invigoration”, the enhancement of convection through condensational heating, also appears to play a role in enhancing both shallow cumuli (Seiki and Nakajima 2014, Saleeby et al 2015) and deeper tropical convection (Lebo and Seinfeld 2011, Khain et al. 2012, Sheffield et al 2015, Fan et al. 2018, Igel and van den Heever 2021), as well as Houston thunderstorms (Fan et al. 2007, 2020). However, still other studies have provided additional evidence of systematic biases in simulated convective outflow ice size distribution properties, which are consistent with a lack of poorly understood secondary ice production within convective updrafts (e.g., Fridlind et al. 2017). To help address these critical gaps in our understanding of cloud processes, aerosol processes and aerosol-cloud interactions, the Tracking Aerosol Convection Interactions Experiment was designed building upon efforts by the Aerosol, Cloud, Precipitation and Climate (ACPC) Initiative (http://acpcintiative.org/), a joint effort of the International Geosphere-Biosphere Programme (IGBP) and the World Climate Research Program (WCRP) that focused on resolving uncertainties in the interactions between aerosol and clouds towards better understanding the role that these interactions play in the climate system. The TRACER campaign was motivated by recommendations from a number of pilot studies undertaken by ACPC (van den Heever et al. 2017, Fridlind et al. 2019, Hu et al. 2019, Fan et al. 2020, Marinescu et al. 2021, Hernandez-Deckers et al. 2022) that pointed towards the southeastern Texas region as a locale where aerosol-convection interactions could be studied owing to the copious occurrence of isolated convection during the summer months accompanied by diverse and significant sources of aerosols from both anthropogenic and natural sources. The TRACER campaign began on 01 October 2021 and extended through 30 September 2022 with an intensive operational period (IOP) during June-September 2022. Three main sites (Table 1) were managed by the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Monolithic ATF MiniFuel Sample Capsules Ready for HFIR Insertion

Several advanced nuclear fuel concepts are being considered throughout the nuclear industry. Implementation of these concepts could increase accident tolerance or enhance performance beyond the capabilities of the UO₂-based nuclear fuel currently in use. Qualification and deployment of any new fuel requires rigorous irradiation testing to demonstrate performance under representative normal and off-normal operating conditions. The traditional approach for qualifying new fuels requires exhaustive execution of many integral fuel tests. However, due to the long timeframe for executing these integral tests and the limited number of available materials test reactors, this approach is becoming impractical. To accelerate fuel qualification, Oak Ridge National Laboratory developed the MiniFuel irradiation vehicle for use in conducting accelerated separate effects irradiation testing of a wide range of nuclear fuel materials in the High Flux Isotope Reactor (HFIR). The first MiniFuel irradiations performed in the facility tested sol gel–derived uranium nitride kernels and tristructural isotropic (TRISO)-coated particle fuels. This report describes the preparation and assembly of the first set of monolithic MiniFuel irradiations conducted to support accident-tolerant fuel (ATF) development and accelerated fuel qualification. Two irradiation targets containing a variety of UO₂ and U₃Si₂ disk fuel specimens were fabricated and assembled for irradiation to burnups of 8-10 and 28-40 MWd/kg U. The target irradiation temperature is 450-550°C. Irradiation of U₃Si₂ will provide new data regarding the irradiation performance of a candidate ATF to complement current ATF-1 integral experiments being performed in the Advanced Test Reactor. UO₂ samples were included as a reference so that the results from the MiniFuel experiments can be compared with the extensive UO₂ fuel performance database. The monolithic MiniFuel capsules were successfully assembled, welded, and tested per HFIR requirements and are ready for insertion into the reactor. Pictures of the assembly process are included in this report. The experiment is planned for insertion into the HFIR during cycle 487 in April 2020.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

The FLUXNET2015 dataset and the ONEFlux processing pipeline for eddy covariance data

The FLUXNET2015 dataset provides ecosystem-scale data on CO2, water, and energy exchange between the biosphere and the atmosphere, and other meteorological and biological measurements, from 212 sites around the globe (over 1500 site-years, up to and including year 2014). These sites, independently managed and operated, voluntarily contributed their data to create global datasets. Data were quality controlled and processed using uniform methods, to improve consistency and intercomparability across sites. The dataset is already being used in a number of applications, including ecophysiology studies, remote sensing studies, and development of ecosystem and Earth system models. FLUXNET2015 includes derived-data products, such as gap-filled time series, ecosystem respiration and photosynthetic uptake estimates, estimation of uncertainties, and metadata about the measurements, presented for the first time in this paper. In addition, 206 of these sites are for the first time distributed under a Creative Commons (CC-BY 4.0) license. This paper details this enhanced dataset and the processing methods, now made available as open-source codes, making the dataset more accessible, transparent, and reproducible.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Tropospheric and stratospheric wildfire smoke profiling with lidar: mass, surface area, CCN, and INP retrieval

We present retrievals of tropospheric and stratospheric height profiles of particle mass, volume, surface area, and number concentrations in the case of wildfire smoke layers as well as estimates of smoke-related cloud condensation nuclei (CCN) and ice-nucleating particle (INP) concentrations from backscatter lidar measurements on the ground and in space. Conversion factors used to convert the optical measurements into microphysical properties play a central role in the data analysis, in addition to estimates of the smoke extinction-to-backscatter ratios required to obtain smoke extinction coefficients. The set of needed conversion parameters for wildfire smoke is derived from AERONET observations of major smoke events, e.g., in western Canada in August 2017, California in September 2020, and southeastern Australia in January–February 2020 as well as from AERONET long-term observations of smoke in the Amazon region, southern Africa, and Southeast Asia. The new smoke analysis scheme is applied to CALIPSO observations of tropospheric smoke plumes over the United States in September 2020 and to ground-based lidar observation in Punta Arenas, in southern Chile, in aged Australian smoke layers in the stratosphere in January 2020. These case studies show the potential of spaceborne and ground-based lidars to document large-scale and long-lasting wildfire smoke events in detail and thus to provide valuable information for climate, cloud, and air chemistry modeling efforts performed to investigate the role of wildfire smoke in the atmospheric system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Tank Waste Characterization: History, Challenges, and Success Stories

The preparation and chemical and radiochemical analysis of Hanford tank waste samples can be performed with standard laboratory equipment and instruments as relatively routine processes that are not particularly challenging. Rather, the main challenges of tank waste characterization are associated with radiological dose and sampling limitations. Accurate, representative and effective sampling techniques are difficult with the waste tanks because they were not designed for routine sampling. There are a finite number of sampling locations for each tank based on riser positioning, depth and the operational functionality of the sampling riser. For example, in one recently emptied SST, there was one riser that was found to have had concrete dumped down it, thereby eliminating that sampling port. Additionally, the waste within the tank; especially true for the saltcake and sludge, is not homogenous. The ability to adequately mix a million-gallon double shell tank (DST) is a concern for data reproducibility. Another real challenge that must be addressed for sampling single shell tanks, is how to dissolve the salt cake waste in a compromised (leaking) SST. These physical constraints mean that uncertainty in the representativeness of samples must be considered when applying analytical results to the bulk contents of the tank. The tank waste is highly radioactive and thus can only be handled initially by facilities that can receive samples into concrete-shielded hot cells with remote operation with an example provided in Figure 1. The shielding protects the worker from the radiological dose while mineral oil windows and remotely operated manipulators enables the samples to be handled. At Hanford, analytical laboratories with these hot cell capabilities are limited to the Pacific Northwest National Laboratory and the main Hanford operations support laboratory, 222-S Laboratory. Because of their highly radioactive nature, samples must be sufficiently diluted to facilitate their analysis outside of a shielded cell. In some cases, this means some accuracy must be compromised to complete the analysis beyond that normally encountered for non-radioactive material.

Waste Characterization, BBI, PHOENIX: Tank Farms: ↗
NASA NTRS1995

One-Dimensional Hybrid Satellite Track Model for the Dynamics Explorer 2 (DE 2) Satellite

A one-dimensional hybrid satellite track model has been developed to calculate the high-latitude thermospheric/ionospheric structure below the satellite altitude using Dynamics Explorer 2 (DE 2) satellite measurements and theory. This model is based on Emery et al. satellite track code but also includes elements of Roble et al. global mean thermosphere/ionosphere model. A number of parameterizations and data handling techniques are used to input satellite data from several DE 2 instruments into this model. Profiles of neutral atmospheric densities are determined from the MSIS-90 model and measured neutral temperatures. Measured electron precipitation spectra are used in an auroral model to calculate particle impact ionization rates below the satellite. These rates are combined with a solar ionization rate profile and used to solve the O(+) diffusion equation, with the measured electron density as an upper boundary condition. The calculated O(+) density distribution, as well as the ionization profiles, are then used in a photochemical equilibrium model to calculate the electron and molecular ion densities. The electron temperature is also calculated by solving the electron energy equation with an upper boundary condition determined by the DE 2 measurement. The model enables calculations of altitude profiles of conductivity and Joule beating rate along and below the satellite track. In a first application of the new model, a study is made of thermospheric and ionospheric structure below the DE 2 satellite for a single orbit which occurred on October 25, 1981. The field-aligned Poynting flux, which is independently obtained for this orbit, is compared with the model predictions of the height-integrated energy conversion rate. Good quantitative agreement between these two estimates has been reached. In addition, measurements taken at the incoherent scatter radar site at Chatanika (65.1 deg N, 147.4 deg W) during a DE 2 overflight are compared with the model calculations. A good agreement was found in lower thermospheric conductivities and Joule heating rate.

Deng, Wei↗
NASA NTRS1990

Functional disorders of the stomach

Gastroenterologists frequently encounter patients who report vague epigastric discomforts or sensations of fullness, bloating, and distention in the upper abdomen. The discomfort is neither burning in character nor severe in intensity; there is no nocturnal pain. The epigastric location of discomfort and lack of radiation may help to exclude biliary tract and pancreatic diseases. Nausea may be present, but there is little or no vomiting. After these patients ingest liquids or solid foods, the symptoms of easy filling or early satiety and increasing discomfort and nausea are almost always present. The patient may only report "indigestion," but a specific chief complaint, such as pain, discomfort, nausea, or bloating may be elicited with further inquiries. Solid foods usually provoke more symptoms than do liquids. Symptoms of early satiety, nausea, bloating, and abdominal discomfort may culminate in the vomiting of undigested food. These vague upper gastrointestinal (GI) symptoms have been termed "dyspepsia." When peptic diseases of the stomach are excluded, the symptom complex has been called "nonulcer" dyspepsia, a vague syndrome with symptoms attributed to stomach dysfunction. Nonulcer dyspepsia has been reviewed recently. Such symptoms, commonly attributed to a "functional" disorder, are very common in clinical practice, with an incidence of 30% of patients. In this review, we will discuss an approach to the evaluation and treatment of patients with symptoms of nausea, early satiety, bloating, and vague epigastric discomfort--dyspeptic symptoms associated with functional stomach disorders. We will review the anatomy and motility of the stomach and suggest potential neuromuscular malfunctions of the stomach that may result in epigastric symptoms. The potential role of stress and other brain-gut interactions, which may underlie these symptoms, will also be reviewed.

Non-NASA Center↗
NASA NTRS1995

One-dimensional hybrid satellite track model for the Dynamics Explorer 2 (DE 2) satellite

A one-dimensional hybrid satellite track model has been developed to calculate the high-latitude thermospheric/ionospheric structure below the satellite altitude using Dynamics Explorer 2 (DE 2) satellite measurements and theory. This model is based on Emery et al. (1985) satellite track code but also includes elements of Roble et al. (1987b) global mean thermosphere/ionosphere model. A number of parameterizations and data handling techniques are used to input satellite data from several DE 2 instruments into this model. Profiles of neutral atmospheric densities are determined from the Mass Spectrometer Incoherent Scatter 1990 (MSIS-90) model and measured neutral temperatures. Measured electron precipitation spectra are used in an auroral model to calculate particle impact ionization rates below the satellite. These rates are combined with a solar ionization rate profile and used to solve the O(+) diffusion equation, with the measured electron density as an upper boundary condition. The calculated O(+) density distribution, as well as the ionization profiles, are then used in a photochemical equilibrium model to calculate the electron and molecular ion densities. The electron temperature is also calculated by solving the electron energy equation with an upper boundary condition determined by the DE 2 measurement. The model enables calculations of altitude profiles of conductivity and Joule heating rate along and below the satellite track. In a first application of the new model, a study is made of thermospheric and ionospheric structure below the DE 2 satellite for a single orbit which occurred on October 25, 1981. The field-aligned Poynting flux, which is independently obtained for this orbit, is compared with the model predictions of the height-integrated energy conversion rate. Good quantitative agreement between these two estimates has been reached. In addition, measurements taken at the incoherent scatter radar site at Chatanika (65.1 deg N, 147.4 deg W) during a DE 2 overflight are compared with the model calculations. A good agreement was found in lower thermospheric conductivities and Joule heating rate.

Deng, Wei↗
NASA NTRS2010

Observing Solar Radio Bursts from the Lunar Surface

Locating low frequency radio observatories on the lunar surface has a number of advantages. Here, we describe the Radio Observatory for Lunar Sortie Science (ROLSS), a concept for a low frequency, radio imaging interferometric array designed to study particle acceleration in the corona and inner heliosphere. ROLSS would be deployed during an early lunar sortie or by a robotic rover as part of an unmanned landing. The prime science mission is to image type II and type III solar radio bursts with the aim of determining the sites at and mechanisms by which the radiating particles are accelerated. Secondary science goals include constraining the density of the lunar ionosphere by searching for a low radio frequency cutoff of the solar radio emissions and constraining the low energy electron population in astrophysical sources. Furthermore, ROLSS serves a pathfinder function for larger lunar radio arrays. Key design requirements on ROLES include the operational frequency and angular resolution. The electron densities in the solar corona and inner heliosphere are such that the relevant emission occurs below 10 MHz, essentially unobservable from Earth's surface due to the terrestrial ionospheric cutoff. Resolving the potential sites of particle acceleration requires an instrument with an angular resolution of at least 2 deg, equivalent to a linear array size of approximately 500 meters. Operations would consist of data acquisition during the lunar day, with regular data downlinks. The major components of the ROLSS array are 3 antenna arms arranged in a Y shape, with a central electronics package (CEP). Each antenna arm is a linear strip of polyimide film (e.g., Kapton (TM)) on which 16 single polarization dipole antennas are located by depositing a conductor (e.g., silver). The arms also contain transmission lines for carrying the radio signals from the science antennas to the CEP.

MacDowall, R. J.↗
NASA NTRSDate not supplied

Global Reference Atmospheric Model (GRAM) Advancements and Additions

Introduction:The Global Reference Atmospheric Model (GRAM) is one of the most widely used engineering models of the atmosphere. GRAM development and maintenance has been led by NASA Marshall Space Flight Center (MSFC). The NASA Science Mission Directorate (SMD) has provided funding support to upgrade the GRAMs since Fiscal Year 2018. NASA Langley Research Center has been working with MSFC on the upgrades.This presentation will provide details regarding the upgrades that have been made to the existing GRAMs, the development of new GRAMs, as well as the ongoing objectives, tasks, and milestones re-lated to the GRAM upgrades funded by NASA SMD. GRAM: The GRAMs are engineering-oriented atmospheric models that estimate mean values and statistical variations of the atmospheric properties for numerous planetary destinations.They provide mean values and variability for any point in the atmosphere as well as seasonal, geographic, and altitude variations. GRAM outputs include atmospheric density, temperature, pressure, winds, and chemical composition along a user-defined path.Theyhave been widely used by the engineering community because of their ability to create realistic dispersions. GRAMs have been integrated into high fidelity flight dynamic simulations of launch, entry, descent and landing (EDL), aerobraking and aerocapture. MSFC has been developing and updating GRAMs since 1974; GRAMs are currently available for Earth, Mars, Venus, Neptune, and Titan. GRAM Upgrade Status: Code Moderization.The planetary GRAMs are being rearchitected from Fortran to a common object-ori-entedC++ framework called the GRAM Suite. This new architecture creates a common GRAM library of data models and utilities. The first C++ releases of the existing planetary GRAMs (Mars, Venus, Neptune, and Titan-GRAM) in the GRAM Suite are straight conversions from the latest Fortran version. Model Upgrades.The focus of the model upgrade task is to improve the atmosphere models in the existing GRAMs and to establish a foundation for developing GRAMs for additional destinations. The GRAM ephemerishas been upgraded to the NASA Navigation and Ancillary Information Facility (NAIF) SPICE toolkit (version N0066). The calculation of the speed of sound has also been improved in the GRAMs. The GRAM team has received updated Mars General Circulation Model (MGCM) datasets from NASA Ames Research Center. Mars Global Ionosphere-Thermosphere Model (M-GITM) data is being obtained toreplace the Mars Thermospheric General Circulation Model (MTGCM) data in legacy Mars-GRAM. M-GITM and updated MGCM data will be incorporated into a future GRAM Suite release.Twoprojects that will improve the atmospheric model data in the GRAMs have been funded by the GRAM team since Fiscal Year 2020. Sanjay Limaye and Patrick Fry at the University of Wisconsin are reanalyzing the Venus Express radio occultation observations and analyzing the Akatsukiradio occultation observations.This will lead tothe calculation of number density, temperature, and pressure profiles for the 40-90 km altitude range. Kunio Sayanagi, Justin Garland, and Ryan McCabeat Hampton University are developing empirical global models for Venus,Jupiter, Saturn, Uranus, Neptune, and Titan that incorporates the latest data available for each of these planetary destinations. Upgraded GRAM Releases. GRAM Suite Version 1.0 was released in May 2020 and contains the rearchitected Neptune-GRAM, including the common GRAM framework and planet–specific code. GRAM Suite Version 1.1 was released in September 2020 and addedthe rearchitected Titan-GRAM to the GRAM Suite. A User Guide and Programmer’s Manualarereleased with all GRAMs. The rearchitected Mars and Venus-GRAMs will be released in upcomingversions of the GRAM Suite. New GRAM Releases. New GRAMs have been de-veloped for Uranus and Jupiter. Uranus-GRAM is based on an individual profile generated by Gary Allen (ARC) from Voyager 2 occultation data and will be released in GRAM Suite Version 1.2. Jupiter-GRAM is based on individual profile produced from Al Seiff’s Ju-piter model[1].Jupiter-GRAM will be released in GRAM Suite Version 1.3. Saturn-GRAM is currently under development and will be released in a future version of the GRAM Suite. Conclusions: GRAMs are vital and frequently used toolsets. Releases of the GRAM Suite, upgrades of the existing planetary GRAMs, and development of new planetary GRAMs are ongoing. NASA SMD funding has been essential to addressing current limitations and accomplishing GRAM developmental goals. Continua-tion ofSMD fundingwill ensure the development, up-grades, and maintenance of the GRAMs. References: [1] Seiff, A., et al. (1998) JGR, 103, 22,857-22,889. Acknowledgments: The authors gratefully acknowledge support from the NASA SMD

atmospheric models↗
NASA NTRS1994

Experimental studies of transpiration cooling with shock interaction in hypersonic flow, part B

This report describes the result of experimental studies conducted to examine the effects of the impingement of an oblique shock on the flowfield and surface characteristics of a transpiration-cooled wall in turbulent hypersonic flow. The principal objective of this work was to determine whether the interaction between the oblique shock and the low-momentum region of the transpiration-cooled boundary layer created a highly distorted flowfield and resulted in a significant reduction in the cooling effectiveness of the transpiration-cooled surface. As a part of this program, we also sought to determine the effectiveness of transpiration cooling with nitrogen and helium injectants for a wide range of blowing rates under constant-pressure conditions in the absence of shock interaction. This experimental program was conducted in the Calspan 48-Inch Shock Tunnel at nominal Mach numbers of 6 and 8, for a Reynolds number of 7.5 x 10(exp 6). For these test conditions, we obtained fully turbulent boundary layers upstream of the interaction regions over the transpiration-cooled segment of the flat plate. The experimental program was conducted in two phases. In the first phase, we examined the effects of mass-addition level and coolant properties on the cooling effectiveness of transpiration-cooled surfaces in the absence of shock interaction. In the second phase of the program, we examined the effects of oblique shock impingement on the flowfield and surface characteristics of a transpiration-cooled surface. The studies were conducted for a range of shock strengths with nitrogen and helium coolants to examine how the distribution of heat transfer and pressure and the characteristics of the flowfield in the interaction region varied with shock strength and the level of mass addition from the transpiration-cooled section of the model. The effects of the distribution of the blowing rate along the interaction regions were also examined for a range of blowing rates through the transpiration-cooled panels. The regions of shockwave/boundary layer interaction examined in these studies were induced by oblique shocks generated with a sharp, flat plate, inclined to the freestream at angles of 5 degrees, 7.5 degrees, and 10 degrees. It was found that, in the absence of an incident shock, transpiration cooling was a very effective method for reducing both the heat transfer and the skin friction loads on the surface. The helium coolant was found to be significantly more effective than nitrogen, because of its low molecular weight and high specific heat. The studies of shock-wave/transpiration-cooled surface interaction demonstrated that the interaction region between the incident shock and the low-momentum transpiration-cooled boundary layer did not result in a significant increase in the size of attached or separated interaction regions, and did not result in significant flowfield distortions above the interaction region. The increase in heating downstream of the shock-impingement point could easily be reduced to the values without shock impingement by a relatively small increase in the transpiration cooling in this region. Surprisingly, this increase in cooling rate did not result in a significant increase in size of the region ahead of the incident shock or create a significantly enlarged interaction region with a resultant increase in the distortion level in the inviscid flow. Thus, transpiration cooling appears to be a very effective technique to cool the internal surfaces of scramjet engines, where shocks in the engine would induce large local increases in wall heating and create viscous/inviscid interactions that could significantly disturb the smooth flow through the combustor. However, if hydrogen is used as the coolant, burning upstream of shock impingement might result in localized hot spots. Clearly, further research is needed in this area.

Holden, Michael S.↗