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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 OSTI2015

Intermittent self-sustaining star formation in massive, low-redshift galaxies exhibiting a peak metallicity plateau

The decline of star formation in massive low-redshift galaxies, often referred to as “quenching,” has been attributed to a variety of factors. Some proposals suggest that erupting active galactic nuclei may strip galaxies of their interstellar medium (ISM), and thus the ability to form stars. Here, we note that, whereas star formation is universal in small, low-redshift galaxies, the fractional duty cycles Φ of star formation steadily decline in galaxies of increasing mass, although star formation may not cease entirely. We show that when the infall of gas from extragalactic space ceases, galaxies of high stellar mass M{sub *} appear to sustain star formation with gas liberated in mass loss from evolved low- and intermediate-mass stars admixed with occasional SN II ejecta. This model quantitatively accounts for the universal limiting metallicity plateau at a ratio of oxygen to hydrogen atoms, Z{sub O}=n{sub O}/n{sub H}∼1.3×10{sup −3}, characterizing high-mass, intermittently star-forming galaxies. We show that when duty cycles Φ are specifically taken into account, the star formation rates of galaxies on this plateau correspond to mass loss rates from evolving stars of the order of M-dot ∼10{sup −11} M{sub ∗} yr{sup −1}, in rough agreement with observed estimates. Far-infrared continuum and fine-structure line observations, as well as molecular data, may soon be able to resolve whether or not low levels of sporadic star formation can be sustained indefinitely in massive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2002

Wake Closure Characteristics and Afterbody Heating on a Mars Sample Return Orbiter

Aeroheating wind-tunnel tests were conducted on a 0.028 scale model of an orbiter concept considered for a possible Mars sample return mission. The primary experimental objectives were to characterize hypersonic near wake closure and determine if shear layer impingement would occur on the proposed orbiter afterbody at incidence angles necessary for a Martian aerocapture maneuver. Global heat transfer mappings, surface streamline patterns, and shock shapes were obtained in the NASA Langley 20-Inch Mach 6 Air and CF4 Tunnels for post-normal shock Reynolds numbers (based on forebody diameter) ranging from 1,400 to 415,000, angles of attack ranging from -5 to 10 degrees at 0, 3, and 6 degree sideslip, and normal-shock density ratios of 5 and 12. Laminar, transitional, and turbulent shear layer impingement on the cylindrical afterbody was inferred from the measurements and resulted in a localized heating maximum that ranged from 40 to 75 percent of the reference forebody stagnation point heating. Comparison of laminar heating prediction to experimental measurement along the orbiter afterbody highlight grid alignment challenges associated with numerical simulation of three- dimensional separated wake flows. Predicted values of a continuum breakdown parameter revealed significant regions of non-continuum flow downstream of the flow separation at the MSRO shoulder and in the region of the reattachment shock on the afterbody. The presence of these regions suggest that the Navier-Stokes predictions at the laminar wind-tunnel condition may encounter errors in the numerical calculation of the wake shear layer development and impingement due to non-continuum effects.

Horvath, Thomas J.↗
DOE OSTI2024

Advanced EXAFS analysis techniques applied to the L -edges of the lanthanide oxides

The unique properties of the lanthanide (Ln) elements make them critical components of modern technologies, such as lasers, anti-corrosive films and catalysts. Thus, there is significant interest in establishing structure–property relationships for Ln-containing materials to advance these technologies. Extended X-ray absorption fine structure (EXAFS) is an excellent technique for this task considering its ability to determine the average local structure around the Ln atoms for both crystalline and amorphous materials. However, the limited availability of EXAFS reference spectra of the Ln oxides and challenges in the EXAFS analysis have hindered the application of this technique to these elements. The challenges include the limited k-range available for the analysis due to the superposition of L-edges on the EXAFS, multielectron excitations (MEEs) creating erroneous peaks in the EXAFS and the presence of inequivalent absorption sites. Herein, we removed MEEs to model the local atomic environment more accurately for light Ln oxides. Further, we investigated the use of cubic and non-cubic lattice expansion to minimize the fitting parameters needed and connect the fitting parameters to physically meaningful crystal parameters. The cubic expansion reduced the number of fitting parameters but resulted in a statistically worse fit. The non-cubic expansion resulted in a similar quality fit and showed non-isotropic expansion in the crystal lattice of Nd 2 O 3 . In total, the EXAFS spectra and the fits for the entire set of Ln oxides (excluding promethium) are included. The knowledge developed here can assist in the structural determination of a wide variety of Ln compounds and can further studies on their structure–property relationships.

36 MATERIALS SCIENCE↗
DOE OSTI2019

An Accurate Fast Fluid Dynamics Model for Data Center Applications

Traditional CFD is broadly useful in the design and operation of reliable and efficient data centers. It is nevertheless computationally expensive, particularly when employed for design optimization, which usually requires multiple simulations. To speed-up calculations while retaining essential airflow physics, several researchers have turned to an alternative CFD methodology, namely, fast fluid dynamics (FFD). FFD has been reported to be much faster than traditional CFD, but at an assumed (acceptable) trade-off of reduced accuracy. However, a recent comparison of FFD and traditional CFD for data center plenum applications produced nearly indistinguishable results and suggested that previously-reported FFD/traditional-CFD differences were due primarily to inconsistent: 1) advection schemes, 2) computational grids, and 3) turbulence models. The present paper extends this FFD/traditional-CFD comparison to the data center whitespace and confirms the finding that a true like-for-like comparison produces nearly identical predictions. Our FFD implementation utilizes a first-order upwind finite-volume scheme for advection like traditional CFD, so alternative advection schemes (e.g., semi-Lagrangian) are not considered further here. Likewise, the effect of grid choice on traditional-CFD predictions is well known. However, the effect of turbulence model for data center applications has not been reported extensively so we do consider this topic further here. We compare the standard k-e and a simpler algebraic model to benchmark experimental data from a real data center. We find that the algebraic turbulence model predicts rack-inlet temperatures at a similar level-of-accuracy as the k-e model for our fairly-simple-airflow reference data center.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

Technical Note: Influence of the phantom material on the absorbed-dose energy dependence of the EBT3 radiochromic film for photons in the energy range 3 keV–18 MeV

Purpose: Water is the reference medium for radiation therapy dosimetry, but for film dosimetry it is more practical to use a solid phantom. As the composition of solid phantoms differs from that of water, the energy dependence of film exposed within solid phantoms may also differ. The energy dependence of a radiochromic film for a given beam quality Q (energy for monoenergetic beams) has two components: the intrinsic energy dependence and the absorbed-dose energy dependence f(Q), the latter of which can be calculated through a Monte Carlo simulation of radiation transport. The authors used Monte Carlo simulations to study the influence of the phantom material on the f(Q) of the EBT3 radiochromic film (Ashland Specialty Ingredients, Wayne, NJ) for photon beams with energies between 3 keV and 18 MeV. Methods: All simulations were carried out with the general-purpose Monte Carlo code PENELOPE 2011. The geometrical model consisted of a cylindrical phantom, with the film positioned at different depths depending on the initial photon energy. The authors simulated monoenergetic parallel photon beams and x-ray beams from a superficial therapy system. To validate their choice of simulation parameters, they also calculated f(Q) for older film models, EBT and EBT2, comparing with published results. In addition to water, they calculated f(Q) of the EBT3 film for solid phantom materials commonly used for film dosimetry: RW1 and RW3 (PTW-Freiburg, Freiburg, Germany), Solid Water (Gammex-RMI, Madison, WI), and PMMA. Finally, they combined their calculated f(Q) with published overall energy response data to obtain the intrinsic energy dependence of the EBT3 film in water. Results: The calculated f(Q) for EBT and EBT2 films was statistically compatible with previously published data. Between 10 keV and 18 MeV, the variation found in f(Q) of the EBT3 film for water was within 2.3%, with a standard statistical uncertainty less than 1%. If the quantity dose-to-water in the phantom is considered, which is the common practice in radiation dosimetry, the maximum difference of energy dependence for the solid phantoms with respect to water is about 6%, at an energy of 50 keV. Conclusions: The EBT3 film shows a reasonably constant absorbed-dose energy dependence when irradiated in water. If the dose-to-water in the phantom is considered, the maximum difference of EBT3 film energy dependence with the solid phantoms studied with respect to water is about 6% (at an energy of 50 keV). The reported overall energy dependence of the EBT3 film in water at energies below 100 keV is mainly due to the intrinsic energy dependence.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2019

Multi-Formalism Modeling for Disaster Resilience, Forecasting, and Response

Disaster response preparedness, risk mitigation, and effective post-event response are critical for national security, public health, and economic integrity. For areas impacted by extreme events, timely and accurate impact assessments of lifeline infrastructures are critical. Traditional disaster management and situational awareness platforms are not capable of handling the massive influx of available information from traditional and non-traditional sources. Next-generation analytic assessment approaches, where use of dynamically sourced, heterogeneous data with near real-time availability are integrated into a continually-updated analytics framework. The objective of this research was to develop a foundational multi-formalism modeling platform to integrate novel data sources for use in improving situational awareness after a disaster event. Specifically, to 1) provide an architecture for machine-learning based data fusion various multi-sensor datasets; 2) classify, geolocate, and temporally bin novel data sources for use in spatially-enabled machine-learning based data fusion; and 3) derive confidence-based observation data with machine-learning based prediction to fill spatial and temporal observation gaps. This project developed a reusable cloud-based pipeline architecture for ingesting, storing, and analyzing relevant data, executing a range of deep-learning models, and visualize the information geographically. The pipeline development was informed by previous PNNL investments (StreamKit) and built upon leading-edge technologies consisting of: 1) a raw datastore; 2) a data enrichment pipeline with custom and third-party analytics; 3) enriched data storage; and 4) a custom UI to display the enriched data. Machine learning/deep learning models were selected and tested to classify social media images for relevancy and presence of flood waters. Our custom trained relevance models were run on a validation dataset and the overall accuracy of the relevance classifiers ranged from 65% to 90%. We found that convolutional neural network (CNN) models were both faster and more accurate than more traditional machine learning models. We applied the relevance classifier to remove non-relevant images and then undertook a limited training of CNN models to detect flood on ~1,800 labeled images. The testing accuracy of the flood detection models were ~88%. To improve the geographic location of both social media and oblique aerial images we tested a multi-step workflow built on a pre-trained deep-learning model. To identify similarity features from test and reference scenes, we applied the Xception and Faiss models to a set of test images with inaccurate spatial locations, as well and precisely-located reference scenes from the general area. Matching reference scenes to the test scenes with the closest similarity index had limited success in improving the precision of test scene location and additional methods have been identified for testing. Data fusion between authoritative geographic data (satellite imaging) and non-authoritative crowdsourced data is an underlying theme throughout this research and methods are tested bring these data to a common geographic form through feature matching and transformations. The automated extraction of supporting information for disaster response from oblique aerial images or ground-level social media images is accomplished through semantic image segmentation and transformation. The non-authoritative data are used to validate the authoritative data collections and processing and optionally, t+0 flood models. In addition, the common form geographic data are combined with other static landscape features to develop spatially-explicit training vectors used in deep generative statistical inference models to develop complex non-linear relationships in static and dynamic data and ultimately derive a spatially continuous and probabilistic assessment of flood damage with the event domain.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2006

Development of Standardized Lunar Regolith Simulant Materials

Lunar exploration requires studies using standardized testing procedures. Previous lunar simulants focused on physical aspects of the lunar regolith. Renewed lunar exploration requires standardized lunar regolith simulant (SLRS) materials that simulate the physical, chemical, and mineralogical properties of the regolith [l]. A root simulant models an end-member, and a derivative is formed by addition of material [2]. The 2005 Workshop recommended a low-Ti mare basalt and a high-Ca highland anorthosite set of roots. Derivatives involve addition of ilmenite and glassy agglutinates [3]. An ideal SLRS material is homogeneous. Geochemical standards are finely-ground to reduce chemical variability, but lunar simulants have a grain size variation and mineralogy that must match the lunar regolith. The simulant homogeneity is monitored using major, minor, and trace element data of progressively smaller samples compared to bulk material. Both chemical and geotechnical properties depend on the contrast from grain to grain. The variability of simulant material is an inherent property that must be taken into account. Simulant production requires monitoring of adherence to simulant requirements and homogeneity during production. Quality control establishes a traceability to a master set of reference standards.

Carpenter, P.↗
DOE OSTI2024

Reference Piping and Instrumentation Diagrams for Heat Transport Systems for Methanol Plants

This report aims to bridge the gap between advanced nuclear reactor vendors and methanol producers seeking decarbonization. It equips both parties with tools and preliminary information for integrating clean heat from advanced reactors into novel methanol production processes. The proposed investigation in this report involves a three-step approach: 1. Design of Current and Decarbonized Process Models for Methanol Production. This report initiates process modeling of two novel methanol production pathways, with their overall energy requirements comparative to classical methanol production (see Figure ES1). The two process models provide the foundation for analyzing integration of hermos-electric generation from advanced nuclear reactors. 2. Identification of Coupling Points to Integrate Advanced Reactors. This report investigates the integration with two advanced reactor technologies: light-water reactors (LWRs) and high-temperature gas reactors (HTGRs). The key coupling points between advanced nuclear reactors and the production facilities associated with the two decarbonized methanol process pathways are identified. 3. Preliminary Heat and Electricity Transfer Design from Reactors to Methanol Production Sites. The preliminary designs for piping and instrumentation to transfer heat from the boundary of advanced reactor technology location to the boundary of methanol production site are evaluated within the context of decarbonized pathways. The pipe analysis for heat transfer adheres to relevant codes and specifications from American Society of Mechanical Engineering. A simplified design for transmission of electricity to the industrial site has been provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Recommended Best Practices for the Characterization of Storage Properties of Hydrogen Storage Materials

These reports, written by H2 Technology Consulting under contract with the National Renewable Energy Laboratory, provides an introduction to and overview of the recommended best practices in making measurements of the hydrogen storage properties of materials. Sections 1-5 (published in February 2012), Section 6 (published in February 2013), and Section 7 (published in January 2016). The goal in developing this report was to create a reference guide of common methodologies and protocols for measuring critical performance properties of advanced hydrogen storage materials and to serve as a resource to the hydrogen storage materials development community to aid in clearly communicating the relevant performance properties of new materials as they are discovered and tested. Section 1: Introduction Section 2: Kinetics Measurements Section 3: Capacity Measurements Section 4: Thermodynamic Measurements Section 5: Cycle-Life Measurements Section 6: Thermal Properties Measurements Section 7: Mechanical Properties Measurements

08 HYDROGEN↗
NASA NTRS1993

Stability and instability of thermocapillary convection in models of the float-zone crystal-growth process

This project was concerned with the determination of conditions of guaranteed stability and instability for thermocapillary convection in a model of the float-zone crystal-growth process. This model, referred to as the half-zone, was studied extensively, both experimentally and theoretically. Our own earlier research determined, using energy-stability theory, sufficient conditions for stability to axisymmetric disturbances. Nearly all results computed were for the case of a liquid with Prandtl Number Pr = 1. Attempts to compute cases for higher Prandtl numbers to allow comparison with the experimental results of other researchers were unsuccessful, but indicated that the condition guaranteeing stability against axisymmetric disturbances would be a value of the Marangoni number (Ma), significantly higher than that at which oscillatory convection was observed experimentally. Thus, additional results were needed to round out the stability picture for this model problem. The research performed under this grant consisted of the following: (1) computation of energy-stability limits for non-axisymmetric disturbances; (2) computation of linear-stability limits for axisymmetric and non-axisymmetric disturbances; (3) numerical simulation of the basic state for half- and full-zones with a deformable free surface; and (4) incorporation of radiation heat transfer into a model energy-stability problem. Each of these is summarized briefly below.

Neitzel, G. P.↗
DOE OSTI2014

Patterning via optical-saturable transformations: A review and simple simulation model

Most of the nanoscale fabrication in the semiconductor industry is based on patterning with scanning-electron beam lithography (SEBL). Although this approach is very versatile and has very high resolution, it is intrinsically a serial writing process, and therefore, relatively slow. Our group has been investigating alternative nano-fabrication techniques, adapted from ideas of saturating optical transitions such as those used in stimulated emission-depletion microscopy and related methods, and optical interference lithography. Linewidths and resolutions on the scale of a few tens of nanometers and below are highly desirable for various applications in nanotechnology. However, the spatial resolution of optical lithography is restricted by diffraction. In the past, we developed absorbance modulation to overcome this limit. This approach utilizes photochromic molecules that can be optically switched between two thermally stable states, one opaque and the other transparent. However, absorbance modulation is limited to surface (2-D) patterning. Here, we report on an alternative approach that exploits unique combinations of spectrally selective reversible and irreversible photochemical transitions to achieve deep subwavelength resolution with potential extension to 3-dimensions. This approach, which we refer to as patterning via optical-saturable transformations have the potential for massive parallelism, enabling the creation of nanostructures and devices at a speed far surpassing what is possible with SEBL. The aim of our research is to translate the success in circumventing Abbe's diffraction limit in optical microscopy to optical lithography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Prospects for indirect dark matter searches with MeV photons

Over the past decade, extensive studies have been undertaken to search for photon signals from dark matter annihilation or decay for dark matter particle masses above ∼1 GeV. However, due to the lacking sensitivity of current experiments at MeV–GeV energies, sometimes dubbed the 'MeV gap', dark matter models with MeV to sub-GeV particle masses have received little attention so far. Various proposed MeV missions (like, e.g., e-ASTROGAM or AMEGO) are aimed at closing this gap in the mid- or long-term future. This, and the absence of clear dark matter signals in the GeV–TeV range, makes it relevant to carefully reconsider the expected experimental instrumental sensitivities in this mass range. The most common two-body annihilation channels for sub-GeV dark matter are to neutrinos, electrons, pions or directly to photons. Among these, only the electron channel has been extensively studied, and almost exclusively in the context of the 511 keV line. In this work, we study the prospects for detecting MeV dark matter annihilation in general in future MeV missions, using e-ASTROGAM as reference, and focusing on dark matter masses in the range 1 MeV–3 GeV. In the case of leptonic annihilation, we emphasise the importance of the often overlooked bremsstrahlung and in-flight annihilation spectral features, which in many cases provide the dominant gamma-ray signal in this regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

An Overview of the State-of-the-Art Reactor Consequence Uncertainty Assessment Accident Progression Insights

The U.S. Nuclear Regulatory Commission (NRC) with Sandia National Laboratories (Sandia) have completed three uncertainty analyses (UAs) as part of the State-of-the-Art Reactor Consequence Analyses (SOARCA) program. The SOARCA UAs included an integrated evaluation of uncertainty in accident progression, radiological release, and offsite health consequence projections. The UA for Peach Bottom, a boiling-water reactor (BWR) with a Mark I containment located in the State of Pennsylvania, analyzed the unmitigated long-term station blackout SOARCA scenario. The UA for Sequoyah, a 4-loop Westinghouse pressurized-water reactor (PWR) located in the State of Tennessee, analyzed the unmitigated short-term station blackout SOARCA scenario, with a focus on issues unique to the ice condenser containment and the potential for early containment failure due to hydrogen deflagration. The UA for Surry, a 3-loop Westinghouse PWR with a sub-atmospheric large dry containment located in the State of Virginia, analyzed the unmitigated short-term station blackout SOARCA scenario including the potential for thermally-induced steam-generator tube rupture. These three UAs are currently documented in three NUREG/CR reports. This report provides input to planned NRC documentation on the insights and findings from the SOARCA UA program. The purpose of the summary report is to provide a useful reference for regulatory applications that require the evaluation of offsite consequence risk from beyond design basis event severe accidents. This report focuses on the accident progression and source term insights developed from the MELCOR analyses. MELCOR is the NRC's best-estimate, severe accident computer code used in the SOARCA UAs. In anticipation of the SOARCA UA insights work, NRC and Sandia benchmarked the response of the Peach Bottom model to selected reference calculations from the Peach Bottom SOARCA UA. Peach Bottom was the first SOARCA UA performed and was completed in 2015 using the MELCOR 1.8.6 code. The PWR SOARCA UAs evolved the original methodology and utilized the updated MELCOR 2.2 computer code. The Peach Bottom model has been systematically updated for other NRC research efforts and has been updated to MELCOR 2.2. computer code. The findings from the new reference calculations using the updated model with the MELCOR 2.2 code are also integrated into the report. A second objective is an assessment of the applicability of the results to the other nuclear reactors in the U.S. As the key findings are reviewed, judgments are presented on the applicability of the results to other U.S. nuclear power plants. An important objective of the SOARCA program relied on high- fidelity plant-specific modeling. However, the nature of the insights and conclusions allowed judgements to be made on the applicability of the various insights to the same general classification of plant (i.e., BWR or PWR) or the entire fleet of plants. Finally, the results from the SOARCA UA accident progression calculations contain a wealth of information not previously documented in the NUREG/CRs. This report includes new but related information that can be used to benchmark past or support future regulatory decisions related to severe accidents. The new work includes a benchmark of the NUREG-1465 licensing source term definitions, the variability of key accident progression events and timing to radionuclide release, and an improved understanding of the timing and source terms from consequential steam generator tube ruptures. iii ACKNOWLEDGEMENTS The Sandia authors gratefully acknowledge the significant technical and programmatic contributions from the NRC SOARCA team which are reflected throughout the report. Dr. Tina Ghosh has been involved throughout the SOARCA UAs, providing the primary managerial and technical oversight. The long lists of NRC and Sandia contributors from the SOARCA UAs are cited in the three NUREG/CRs and are also gratefully acknowledged by the small team of authors compiling the results of their efforts. Significant technical contributions, advice, and reviews were provided by Dr. Hossein Esmaili, Dr. Alfred Hathaway, and Dr. Edward Fuller (retired) of the NRC. Dr. Randal Gauntt (retired), Mr. Patrick Mattie, Mr. Joseph Jones (retired), and Dr. Doug Osborn from Sandia are recognized as the SOARCA UA managers guiding the past efforts. There is a comparable list of project managers at the NRC including Ms. Patricia Santiago, Dr. Salman Haq, and Mr. Jon Barr. Sadly, we have lost Mr. Charlie Tinkler and Mr. Robert Prato, who were important contributors to the original SOARCA project. Finally, Mr. Kyle Ross and Mr. Mark Leonard have also retired but were significant technical contributors. Mr. Kyle Ross was the technical lead on all three SOARCA UAs and the original pressurized water reactor SOARCA study. Mr. Leonard was the technical lead on the original boiling water reactor SOARCA study and a key contributor to the first Peach Bottom SOARCA UA. iv

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Global rules for translating land-use change (LUH2) to land-cover change for CMIP6 using GLM2

Anthropogenic land-use and land-cover change activities play a critical role in Earth system dynamics through significant alterations to biogeophysical and biogeochemical properties at local to global scales. To quantify the magnitude of these impacts, climate models need consistent land-cover change time series at a global scale, based on land-use information from observations or dedicated land-use change models. However, a specific land-use change cannot be unambiguously mapped to a specific land-cover change. Here, nine translation rules are evaluated based on assumptions about the way land-use change could potentially impact land cover. Utilizing the Global Land-use Model 2 (GLM2), the model underlying the latest Land-Use Harmonization dataset (LUH2), the land-cover dynamics resulting from land-use change were simulated based on multiple alternative translation rules from 850 to 2015 globally. For each rule, the resulting forest cover, carbon density and carbon emissions were compared with independent estimates from remote sensing observations, U.N. Food and Agricultural Organization reports, and other studies. The translation rule previously suggested by the authors of the HYDE 3.2 dataset, that underlies LUH2, is consistent with the results of our examinations at global, country and grid scales. This rule recommends that for CMIP6 simulations, models should (1) completely clear vegetation in land-use changes from primary and secondary land (including both forested and non-forested) to cropland, urban land and managed pasture; (2) completely clear vegetation in land-use changes from primary forest and/or secondary forest to rangeland; (3) keep vegetation inland-use changes from primary non-forest and/or secondary non-forest to rangeland. Our analysis shows that this rule is one of three (out of nine)rules that produce comparable estimates of forest cover, vegetation carbon and emissions to independent estimates and also mitigate the anomalously high carbon emissions from land-use change observed in previous studies in the 1950s. According to the three translation rules, contemporary global forest area is estimated to be 37.42×106 km2, within the range derived from remote sensing products. Likewise, the estimated carbon stock is in close agreement with reference biomass datasets, particularly over regions with more than 50 % forest cover

58 GEOSCIENCES↗
NASA NTRS2002

Lobed Mixer Design for Noise Suppression: Plume, Aerodynamic and Acoustic Data

A comprehensive database for the acoustic and aerodynamic characteristics of several model-scale lobe mixers of bypass ratio 5 to 6 has been created for mixed jet speeds up to 1080 ft per s at typical take-off (TO) conditions of small-to-medium turbofan engines. The flight effect was simulated for Mach numbers up to 0.3. The static thrust performance and plume data were also obtained at typical TO and cruise conditions. The tests were done at NASA Lewis anechoic dome and ASE's FluiDyne Laboratories. The effect of several lobe mixer and nozzle parameters, such as, lobe scalloping, lobe count, lobe penetration and nozzle length was examined in terms of flyover noise at constant altitude and also noise in the reference frame of the nozzle. This volume is divided into three parts: in the first two parts, we collate the plume survey data in graphical form (line, contour and surface plots) and analyze it; in part 3, we tabulate the aerodynamic data for the acoustics tests and the acoustic data in one-third octave band levels.

Mengle, Vinod G.↗
NASA NTRS2022

Un-Numbered Operational Areas PRL 229 Railroad Tie Disposal Area Pond Confirmation Sampling Report

This Confirmatory Sampling (CS) Report (CSR) was prepared for the National Aeronautics and Space Administration (NASA), Kennedy Space Center (KSC), Florida in accordance with the CS Work Plan (CSWP) (HGL, 2022a). The CSR summarizes investigation activities performed on the Railroad Tie Disposal Area (RTDA) of the Un-Numbered Operational Areas (UNOA), Potential Release Location (PRL) 229 located at KSC. HydroGeoLogic, Inc. (HGL) prepared this report under Contract Number 80KSC019D0012. The purpose of the CSR is to provide information to evaluate the level of potential contamination in surface water and sediment samples collected from the RTDA PRL 229 Pond and determine if contaminants pose unacceptable risks to ecological receptors. The CSR provides analytical data of 10 sets of surface water and sediment samples collected in 2021. Surface water samples were analyzed for volatile organic compounds (VOCs), semi-volatile organic compounds (SVOCs), polynuclear aromatic hydrocarbon (PAHs), metals, hardness, and salinity, while sediment samples were analyzed for metals, total organic carbon (TOC), SVOCs, PAHs, and total petroleum hydrocarbons (TPH). The CSR includes a Screening Level Ecological Risk Assessment (SLERA) conducted under KSC’s Resource Conservation and Recovery Act (RCRA) Corrective Action Program to determine if unacceptable risks to ecological receptors exist at PRL 229 Pond. Metals and PAHs were detected in surface water samples, including detections of antimony, arsenic, barium, calcium, copper, lead, magnesium, thallium, zinc, anthracene, benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Based on measured salinity (1.03 to 1.21 parts per thousand), the pond was identified as freshwater. Sediment analytical results also contained detections of metals and PAHs, including antimony, arsenic, barium, beryllium, cadmium, chromium, copper, lead, mercury, nickel, selenium, thallium, zinc, anthracene benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Potential risks to ecological receptors were evaluated in accordance with the SLERA Work Plan and the Decision Process Document for the Resource Conservation and Recovery Act (RCRA) Corrective Action Program at KSC (DPD) (Geosyntec, 2019), and using the 2021 sediment and surface water analytical results. Potential ecological receptors evaluated in the SLERA include the aquatic community, benthic invertebrates, aquatic birds, and aquatic mammals. The SLERA included Steps 2a through 2c of the Ecological Risk Assessment (ERA) process in accordance with the DPD. Using multiple lines of evidence, the SLERA concluded that many of the detected analytes are present at concentrations similar to those in background or reference locations at KSC, and/or at concentrations that would not pose a significant risk to ecological communities. There are no screening values available for the avian community, and PAHs are bioaccumulative compounds. For this reason, food web modeling was completed as a supplement to Step 2c to provide a quantitative evaluation of this exposure pathway. Food web modeling indicates that PAHs are unlikely to pose a risk to birds exposed to site sediment and surface water. Based on the results of the SLERA, the contaminants in sediment and surface water pose no to minimal risk to the ecological communities that could live or forage at the site. Based on the results of the SLERA, no further study is recommended for the RTDA Pond at PRL 229.

Confirmation Sampling↗
DOE OSTI2017

Theoretical investigation of intersystem crossing in the cyanonitrene molecule, 1 NCN → 3 NCN

The NCN diradical is an important intermediate of prompt nitric oxide formation in flames. The mechanism of intersystem crossing (ISC) in the NCN molecule formed via pyrolysis or photolysis of NCN 3 is of relevance to the interpretation of experiments that utilize NCN 3 as a precursor for laboratory studies of NCN kinetics. This mechanism has been investigated by means of multi-reference configuration interaction calculations. From the potential energy surfaces for NCN 3 dissociation, it was inferred that both thermal and photo-chemical decomposition initially lead to NCN in its lowest singlet state, $\tilde{a}^{-1}$$Δ_g$, with a possible contribution from the $\tilde{b}^{-1}\Sigma_g^+$ state at low photolysis wavelengths. Direct formation of the triplet ground state $\tilde{X}^{-3}\Sigma_g^-$ is also feasible for the photolytic pathway. Ananalysis of surface crossings between $\tilde{a}$ or $\tilde{b}$ and the triplet ground state $\tilde{X}^{-3}\Sigma_g^-$ in the absence and presence of a helium atom revealed an ISC channel 1 NCN ($\tilde{a}$) → 3 NCN($\tilde{X}$) via a strongly bent structure. However, its barrier of 38 kcal mol -1 relative to the singlet minimum turned out to be much too high to explain the fast ISC observed in experiments. A rigid-bender model including Renner-Teller interactions was used to examine the occurrence of mixed-multiplicity rovibrational states-so-called gateway states-that could enhance collision-induced ISC. The results of this study indicate that a gateway mechanism is probably not operative in the case of the $\tilde{a}$/$\tilde{X}$pair of states in NCN.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evaluation of OpenAI Codex for HPC Parallel Programming Models Kernel Generation

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple + + prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

Godoy, William↗