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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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NASA NTRS2001

Computational Thermodynamic Study to Predict Complex Phase Equilibria in the Nickel-Base Superalloy Rene N6

A previous study by Ritzert et al. on the formation and prediction of topologically closed packed (TCP) phases in the nickel-base superalloy Rene' N6 is re-examined with computational thermodynamics. The experimental data on phase distribution in forty-four alloys with a composition within the patent limits of the nickel-base superalloy Rene' N6 provide a good basis for comparison to and validation of a commercial nickel superalloy database used with ThermoCalc. Volume fraction of the phases and partitioning of the elements are determined for the forty-four alloys in this dataset. The baseline heat treatment of 400 h at 1366 K was used. This composition set is particularly interesting since small composition differences lead to dramatic changes in phase composition. In general the calculated values follow the experimental trends. However, the calculations indicated no TCP phase formation when the experimental measurements gave a volume percent of TCP phase less than 2 percent. When TCP phases were predicted, the calculations under-predict the volume percent of TCP phases by a factor of 2 to 8. The calculated compositions of the gamma and gamma' phases show fair agreement with the measurements. However, the calculated compositions of the P Phase do not agree with those measured. This may be due to inaccuracies in the model parameters for P phase and/or issues with the microprobe analyses of these phases. In addition, phase fraction diagrams and sigma and P phase solvus temperatures are calculated for each of the alloys. These calculations indicate that P phase is the primary TCP phase formed for the alloys considered here at 1366 K. Finally, a series of isopleths are calculated for each of the seven alloying elements. These show the effect of each alloying element on creating TCP phases.

Copland, Evan H.↗
DOE OSTI2025

Overcoming sparse datasets with multi-task learning as applied to high entropy alloys

Abstract The design of novel High Entropy Alloys for use in high-temperature applications is an area of active interest due to their potential to provide exceptional properties compared to conventional alloys. Since the increased popularity of machine learning, an important cog in the design process has been training surrogate models on alloy properties. However, these Single-Task models are trained on individual mechanical properties and do not take advantage of the relatedness between properties. Multi-Task models can capture the interdependencies between tasks, leading to potentially more accurate predictions for all tasks. In this paper, we investigate if Multi-Task models can show improvement over Single-Task models when used for predicting the mechanical properties of these alloys. To ensure fair evaluation between the models, we apply L 0 regularization and skip connections to the models, which allows them to adjust the number of model parameters and depth for optimal performance. We find that the Multi-Task models can leverage task relationships to perform better than Single-Task models, especially for high amounts of missing data in the tasks. Furthermore, adding simple auxiliary targets can boost Multi-Task performance even further despite not being effective as input descriptors to single-task models themselves. We anticipate that the proposed strategies can achieve more accurate predictions and consequently enable better design capabilities for such data-constrained domains without incurring much additional computational cost.

Debnath, Arindam (ORCID:0000000194274499)↗
NASA NTRS2000

Remote Sensing of Aerosol Backscatter and Earth Surface Targets By Use of An Airborne Focused Continuous Wave CO2 Doppler Lidar Over Western North America

Airborne lidar systems are used to determine wind velocity and to measure aerosol or cloud backscatter variability. Atmospheric aerosols, being affected by local and regional sources, show tremendous variability. Continuous wave (cw) lidar can obtain detailed aerosol loading with unprecedented high resolution (3 sec) and sensitivity (1 mg/cubic meter) as was done during the 1995 NASA Multi-center Airborne Coherent Atmospheric Wind Sensor (MACAWS) mission over western North America and the Pacific Ocean. Backscatter variability was measured at a 9.1 micron wavelength cw focused CO2 Doppler lidar for approximately 52 flight hours, covering an equivalent horizontal distance of approximately 30,000 km in the troposphere. Some quasi-vertical backscatter profiles were also obtained during various ascents and descents at altitudes that ranged from approximately 0.1 to 12 km. Similarities and differences for aerosol loading over land and ocean were observed. Mid-tropospheric aerosol backscatter background mode was approximately 6 x 10(exp -11)/ms/r, consistent with previous lidar datasets. While these atmospheric measurements were made, the lidar also retrieved a distinct backscatter signal from the Earth's surface from the unfocused part of the focused cw lidar beam during aircraft rolls. Atmospheric backscatter can be highly variable both spatially and temporally, whereas, Earth-surface backscatter is relatively much less variant and can be quite predictable. Therefore, routine atmospheric backscatter measurements by an airborne lidar also give Earth surface backscatter which can allow for investigating the Earth terrain. In the case where the Earth's surface backscatter is coming from a well-known and fairly uniform region, then it can potentially offer lidar calibration opportunities during flight. These Earth surface measurements over varying Californian terrain during the mission were compared with laboratory backscatter measurements using the same lidar of various Earth surfaces giving good agreement, suggesting that the lidar efficiency, and thus a lidar calibration factor for detection, can be estimated fairly well using Earth's surface signal.

Jarzembski, Maurice A.↗
NASA NTRSDate not supplied

Martian B Storm Genesis and Evolution: Initial Analysis of Thermal Datasets.

Introduction: Dust lifting on Mars likely occurs primarily as a result of the exchange of momentum between the atmosphere and the surface via saltation. During saltation, sand-sized particles are mobilized but do not enter into suspension. When these larger particles fall back to the surface, kinetic energy is transferred to smaller dust particles which are then lofted into suspension in the atmosphere. Depending on the altitude to which dust is lofted, it can have a significant effect on atmospheric temperatures. As a strong absorber and emitter in the infrared, dust can influence atmospheric heating and modify the global circulation and weather on Mars [1,2]. Although dust is present in Mars’ atmosphere throughout the year, the atmosphere is generally dustier during the second half of the year when Mars is near perihelion. Observations reveal that episodic global-scale dust storms and fairly regular regional-scale dust storms are superimposed on a well-defined and highly repeatable seasonal cycle of dust opacity and associated mid-level atmospheric temperature responses. Kass et al. (2016) used 50 Pa temperature observations from MRO/MCS to identify three highly repeatable time periods during which regional dust storms occur, and designated them the “A”, “B” and “C” storms. While “A” and “C” storms have been studied a fair amount to-date, “B” storms have not yet been investigated in detail. This study explores the generation and evolution of the annually recurring regional dust storm known as the “B” storm, which was identified and categorized by Kass et al. (2016) based on 25 km (50 Pa) temperature observations. The B storm is a southern-hemisphere (SH) phenomenon that originates at the cap edge just after perihelion and which reaches peak intensity during the SH summer solstice, Ls 270. It may originate from the cap edge storms that spawn near the edge of the seasonal CO2 cap during retreat, but the mechanisms for B storm genesis have yet to be determined definitively [1]. Methods: We will use observational data sets and a global climate model (GCM) to investigate “B” regional storms. The data analysis component will include the analysis of imagery from MGS/MOC and MRO/MARCI, and spectroscopic data sets of dust and temperatures from MGS/TES and MRO/MCS with the goal of fully characterizing the behavior of these storms. Both MGS and TES provide data well-suited for temperature analysis at 25 km. MCS measures atmospheric temperature, dust extinction, and water ice extinction at 5 km intervals from the surface to about 80 km. TES measured atmospheric temperatures, column dust and water ice opacities, and column water vapor abundances. Measurements made by TES extended from the surface to about 40 km [1]. At the 50 Pa (25 km) level, local dust events usually confined to shallower depths are effectively filtered out of the analysis leaving the regional dust events identifiable by their temperature signatures [1]. Our preliminary analysis makes use of the fact that the brightness temperature at 15 microns (T15 temperature) is a close approximation to observed temperature at 25 km. We first reproduce the zonal mean 50 Pa level temperature plots for MY 29-32 to establish a baseline for our procedures moving forward [1]. Expanding on Kass et al. (2016), we include recent MCS data from MY 33 and 34 as well. Preliminary Analysis: The daytime (3PM) T15 temperatures in Figure 1 indicate: in MY 29, a strong A storm at Ls 240, a B storm at high southern latitudes just after Ls 270, and a C storm at Ls 320; in MY 30, a B storm at Ls 270; in MY 31 & MY 32, a B storm just before Ls 270; in MY 33, a B storm at Ls 270; and in MY 34, a strong A storm in the northern hemisphere at Ls 210, and a B storm around Ls 270 although there is a data gap. For the B storms, each is indicative of lofted dust and resultant warming. The daytime temperature structure illustrates that the B storm occurs annually around Ls 270 and is confined to high southern latitudes. It reaches its peak intensity around SH summer solstice, Ls 270, consistently for all six MY assessed. Since direct solar heating is absent overnight, the nighttime T15 temperatures (Figure 2) are often useful for differentiating the heat signature of direct solar heating from the dynamical response to that heating. However, in the southern polar latitudes at perihelion the sun does not set and direct solar heating remains present throughout the night. Importantly for our study, dust lofted in the B storm experiences this direct heating day and night for the entirety of its lifetime. The B storm expands as far north as -60 latitude and decays in latitudinal extent more gradually than it grows. This feature is less obvious in the nighttime (3AM) T15 temperatures (Figure 2). The temperature signal is stronger at night for MY 30-33. The warm pool is larger in area relative to the background at night in these four cases. This more uniform warming masks the “tail” feature somewhat, such that it is barely noticeable during these years. Unfortunately, gaps in MCS data in MY 29 and 34 prevent confirmation of the tail feature during those years, however, the B storm temperature signature follows a very different pattern than that described for MY 30-33. MY 29 and 34 appear to show smaller centers of warming at night and larger centers of warming during the day. This is in opposition to that previously described for MY 30-33. Conclusions and Future Work: We will continue investigating the heat signatures of B storms by looking at the total column heating as recorded by TES. We will also look at lower altitudes for patterns that may describe the relationship between B storms and the cap edge storms that develop while the seasonal cap is retreating. In the future, we will use GCM simulations to determine the atmospheric and thermo-dynamic conditions associated with these storms.

Courtney Marylou Batterson↗
NASA NTRS2013

Statistical and Hydrological Evaluation of TRMM-Based Multi-Satellite Precipitation Analysis over the Wangchu Basin of Bhutan: Are the Latest Satellite Precipitation Products 3B42V7 Ready for Use in Ungauged Basins?

The objective of this study is to quantitatively evaluate the successive Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA) products and further to explore the improvements and error propagation of the latest 3B42V7 algorithm relative to its predecessor 3B42V6 using the Coupled Routing and Excess Storage (CREST) hydrologic model in the mountainous Wangchu Basin of Bhutan. First, the comparison to a decade-long (2001-2010) daily rain gauge dataset reveals that: 1) 3B42V7 generally improves upon 3B42V6s underestimation both for the whole basin (bias from -41.15 to -8.38) and for a 0.250.25 grid cell with high-density gauges (bias from -40.25 to 0.04), though with modest enhancement of correlation coefficients (CC) (from 0.36 to 0.40 for basin-wide and from 0.37 to 0.41 for grid); and 2) 3B42V7 also improves its occurrence frequency across the rain intensity spectrum. Using the CREST model that has been calibrated with rain gauge inputs, the 3B42V6-based simulation shows limited hydrologic prediction NSCE skill (0.23 in daily scale and 0.25 in monthly scale) while 3B42V7 performs fairly well (0.66 in daily scale and 0.77 in monthly scale), a comparable skill score with the gauge rainfall simulations. After recalibrating the model with the respective TMPA data, significant improvements are observed for 3B42V6 across all categories, but not as much enhancement for the already well-performing 3B42V7 except for a reduction in bias (from -26.98 to -4.81). In summary, the latest 3B42V7 algorithm reveals a significant upgrade from 3B42V6 both in precipitation accuracy (i.e., correcting the underestimation) thus improving its potential hydrological utility. Forcing the model with 3B42V7 rainfall yields comparable skill scores with in-situ gauges even without recalibration of the hydrological model by the satellite precipitation, a compensating approach often used but not favored by the hydrology community, particularly in ungauged basins.

TRMM↗
DOE OSTI2024

OrthoPhyl—streamlining large-scale, orthology-based phylogenomic studies of bacteria at broad evolutionary scales

Abstract There are a staggering number of publicly available bacterial genome sequences (at writing, 2.0 million assemblies in NCBI's GenBank alone), and the deposition rate continues to increase. This wealth of data begs for phylogenetic analyses to place these sequences within an evolutionary context. A phylogenetic placement not only aids in taxonomic classification but informs the evolution of novel phenotypes, targets of selection, and horizontal gene transfer. Building trees from multi-gene codon alignments is a laborious task that requires bioinformatic expertise, rigorous curation of orthologs, and heavy computation. Compounding the problem is the lack of tools that can streamline these processes for building trees from large-scale genomic data. Here we present OrthoPhyl, which takes bacterial genome assemblies and reconstructs trees from whole genome codon alignments. The analysis pipeline can analyze an arbitrarily large number of input genomes (>1200 tested here) by identifying a diversity-spanning subset of assemblies and using these genomes to build gene models to infer orthologs in the full dataset. To illustrate the versatility of OrthoPhyl, we show three use cases: E. coli/Shigella, Brucella/Ochrobactrum and the order Rickettsiales. We compare trees generated with OrthoPhyl to trees generated with kSNP3 and GToTree along with published trees using alternative methods. We show that OrthoPhyl trees are consistent with other methods while incorporating more data, allowing for greater numbers of input genomes, and more flexibility of analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

The Atmospheric Carbon and Transport (ACT)-America Mission

The Atmospheric Carbon and Transport (ACT)-America NASA Earth Venture Suborbital Mission set out to improve regional atmospheric greenhouse gas (GHG) inversions by exploring the intersection of the strong GHG fluxes and vigorous atmospheric transport that occurs within the midlatitudes. In this study, two research aircraft instrumented with remote and in situ sensors to measure GHG mole fractions, associated trace gases, and atmospheric state variables collected 1,140.7 flight hours of research data, distributed across 305 individual aircraft sorties, coordinated within 121 research flight days, and spanning five 6-week seasonal flight campaigns in the central and eastern United States. Flights sampled 31 synoptic sequences, including fair-weather and frontal conditions, at altitudes ranging from the atmospheric boundary layer to the upper free troposphere. The observations were complemented with global and regional GHG flux and transport model ensembles. We found that midlatitude weather systems contain large spatial gradients in GHG mole fractions, in patterns that were consistent as a function of season and altitude. We attribute these patterns to a combination of regional terrestrial fluxes and inflow from the continental boundaries. These observations, when segregated according to altitude and air mass, provide a variety of quantitative insights into the realism of regional CO 2 and CH 4 fluxes and atmospheric GHG transport realizations. The ACT-America dataset and ensemble modeling methods provide benchmarks for the development of atmospheric inversion systems. As global and regional atmospheric inversions incorporate ACT-America’s findings and methods, we anticipate these systems will produce increasingly accurate and precise subcontinental GHG flux estimates.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

INCREASING THE TRANSPARENCY AND REPRODUCIBILITY OF SPACE RADIATION SCIENCE: THE RADIATION BIOLOGY ONTOLOGY

Among the primary objectives of the Open/Open-Source Science paradigm are making scientific investigation data transparent and results reproducible [1], objectives shared by the FAIR principles [2]. To accomplish this, the conceptual framework that includes all the investigation objects needs to be accurately captured and communicated to all data consumers. A large part of this requires using metadata standards to annotate data collected. These standards should be readily accessible, informed by scientific community consensus and sufficiently specific to encompass all of the important aspects of the investigation. Starting in 2020 we have been co-leading an open consortium to develop a new metadata standard, the Radiation Biology Ontology (RBO), through the Open Biological and Biomedical Ontologies (OBO) Foundry [3]. We began by transforming many of the terms from the National Council on Radiation Protection and Measurement into concepts that can be formally related to existing OBO Foundry classes or attributes. We then identified and imported into the RBO existing OBO Foundry classes that have obvious relevance for radiation biomedicine (for example, concepts from the Environment Ontology that describe radiative processes, and concepts from the Gene Ontology dealing with molecular and cellular responses to radiation). Finally, we scrutinized datasets from investigations of radiation effects held in NASA GeneLab and LSDA repositories and added additional classes, instances, and attributes into the RBO that should be used to annotate these data. We developed the RBO using the open-source tools of GitHub and publish the RBO periodically through the NIH/NCBI BioPortal website, so systems worldwide can leverage the knowledge it contains [4]. This initial phase of concept modeling has yielded an RBO that at present has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies. While this first phase has focused on concepts for annotating samples, environments, exposures, and measurements, the next phase will center on supporting annotation of results and findings, such as concept models of molecular, cellular and tissue effects. The value of the RBO will be determined in part by our ability to engage the community in its development, and we have established a Radiobiology Informatics Consortium with unrestricted membership as the owner of the RBO in order to encourage investigators, system owners and other to join in this effort. Anyone can report issues or request new concept modeling or other features directly on GitHub. By using the BioPortal application programming interface, systems can pose dynamic queries to the latest version of the RBO for information on individual classes or entire hierarchies; this design eliminates the need for systems to be updated in order to use newer versions of the RBO. We hope to contribute to the advancement of open radiobiological science through the continued, open development of the RBO, that will provide more precise, machine-interpretable descriptions of investigations, as well as support data meta-analysis through machine learning or other artificial intelligence methods. REFERENCES [1] Open science in space. Nature Medicine, 2021. 27(9): p. 1485-1485. [2] Wilkinson, M.D., et al., The FAIR Guiding Principles for scientific data management and stewardship. Sci Data, 2016. 3: p. 160018. [3] Smith, B., et al., The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration. Nat Biotechnol, 2007. 25(11): p. 1251-5. [4] Whetzel, P.L., et al., BioPortal: enhanced functionality via new Web services from the National Center for Biomedical Ontology to access and use ontologies in software applications. Nucleic Acids Res, 2011. 39(Web Server issue): p. W541-5.

informatics↗
DOE OSTI2024

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Abstract BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB’s positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

Liu, Tiqing↗
NASA NTRS2022

Bringing Planetary Science Mission Outreach to the Deaf and Blind Communities

Introduction: Technology for enhancing outreach, like 3D printing, and science communication products, such as videos and podcasts, can be utilized within the planetary science community, especially for the engagement and excitement of current or upcoming planetary exploration missions. However, these communication products can also be further enhanced for the benefit of the blind and deaf communities. While such products may already be readily available, such projects are not easily accessible to blind and/or deaf certified educators, which often rely on making their own resources or do not have the funds to provide such resources (e.g., cost of 3D printers or cost of braille books). The planetary science community can have better practices to reach these broader audiences. Best practices can include transcripts from podcasts, transcripts in videos, and large-font captions. Images on websites and social media accounts should also include alt-text descriptive captions. 3D printing can also enhance planetary science for the blind community, through tactile posters, maps, and pamphlets. Planetary data can also be augmented by providing different tactile geological maps (e.g., topography or various datasets), and audio-visual videos freely available for educators. Visual Engagement: Visual engagement consists of several avenues to consider, the three main themes includes: 1) swag; 2) videos; 3) interactive exploration. Swag can include the fun visual take-home materials, such as stickers, posters, bookmarks, etc. Videos can include educational-specific videos (available freely via YouTube or by other educational-specific streaming avenues, such as Nebula or Curiosity Stream), provided they have Closed Captioning (CC). The use of QR codes to such videos or websites can also benefit to being added on swag. Interactive exploration can also be sub-divided by different types of engagement. A popular and still fairly new technology for public engagement is the use of virtual reality (VR). While this has been mainly for martian and lunar surface exploration [1], the deaf communities can benefit from VR through a more extensive look at our solar system and beyond (for example, a VR experience of the flight path, or visual map of the heliosphere/dynamics of our Sun). Audio Engagement: Audio tools can also be a useful avenue of communication, especially for the blind communities. Audio archiving can certainly be transcripts from the video engagements, but also the use of podcasts can also be a benefit. Podcasting can take on two forms: 1) interview engagement; and 2) update engagement. For interviews, scientists can communicate with STEM-specific podcast platforms to make other listener-bases aware of what is going on with a specific mission. For update-type communication, missions may opt to have an archived podcast of news, updates, and the teams involved. The most important aspect of such podcasts would be for the need of complimentary transcripts (including descriptive transcripts if sounds are included), and the limited use of jargon. Research Engagement: There have been several examples of involving the blind and low-vision communities in citizen science, such as through the NASA Heliophysics division. Examples include the NASA PUNCH (Polarimeter to Unify the Corona and Heliosphere) mission led by the Southwest Research Institute [2], which include blind and visually-impaired citizens to assist in the Sun’s coronal rhythms.” Another example is the Eclipse Soundscapes: Citizen Science Project (ES:CSP), which documents observations of acoustical changes of nature and ecosystems during solar eclipse events [3]. Inclusivity: A major theme that is necessary for public engagement is inclusivity and the awareness of reaching broader audiences. Outreach to include hearing/seeing impaired communities are still lacking in the sciences. There are several opportunities that the planetary sciences could take. Other projects that have emerged from the space sciences include adding transcripts to visual engagement [4], and the use of 3D printing for the visually-impaired [5]. References: [1] Olgin, J. (2020) 51st LPSC, Abstract 2137. [2] https://scitechdaily.com/outreach-for-nasa-punch-mission-embraces-ancient-and-modern-sun-watching-theme/ [3] https://science.nasa.gov/science-activation-team/eclipse-soundscapes [4] NASA International Observe the Moon Night (Blind and Deaf Accessible), Youtube Video ( https://www.youtube.com/watch?v=neHCfg0S3-Q) [5] Richardson, J., et al. (2018) AGU Fall Meeting, Abstract ED23F-0963.

C J Ahrens↗
DOE OSTI2020

Distribution Development for Residual Inventory at the New York West Valley Site - 20400

The New York State Energy Research and Development Authority (NYSERDA) is the owner of the Western New York Nuclear Service Center (WNYNSC), a 1,351 ha site located approximately 48 km south of Buffalo, New York. In 1962, Nuclear Fuel Services, Inc. (NFS) entered into Agreements with the Atomic Energy Commission and New York State to construct the first commercial reprocessing plant of nuclear fuel in the United States. NFS, a private company, built and operated the spent fuel reprocessing plant and waste disposal facilities, processing 640 Mg of spent nuclear fuel from 1966 to 1972 under an Atomic Energy Commission license. Nuclear fuel reprocessing operations ended in 1972 and never reopened, leaving behind radioactive and chemical wastes. Operations led to contamination in a number of facilities and locations. Some of that contamination has migrated from waste disposal zones to other layers, formations, and features on and off the WNYNSC. Phase I decommissioning activities are ongoing and involve the removal of a number of areas and structures that have been associated with contamination. The purpose of this work is to outline the approach for characterizing contamination not associated with disposed wastes, contaminated structures, or specific releases. In this work, the term, residual radiological activity, is used to describe environmental contamination that exists subsequent to the completion of Phase I decommissioning activities, that is not associated with disposed wastes, contaminated structures, or specific releases. Contamination from the Site was quantified relative to data that characterize the concentrations of radionuclides that exist in background. Background concentrations are those present in the area but having no influence from Site related activities. The existence of residual radiological activity that is elevated relative to background has the potential to contribute to future risks to human health and the environment. As a consequence, the residual inventory information is used to inform the West Valley Probabilistic Performance Assessment (PPA) model to characterize potential future risks to human health and the environment. The centralized West Valley Data Management System (DMS) was the source of information for the data assembled in this analysis. The DMS is a fairly large compilation consisting of thousands of records from investigation studies, with sample dates ranging from 1990 to present. Samples from monitoring wells, boreholes, geoprobe studies, surface water, surface soils, storm water outfalls, ventilation stack filters, plant and animal tissues, and more are included in the DMS. Results are typically reported in units of activity per unit volume. For the purpose of the analyses presented here, all results were converted into consistent units of pCi per unit volume. Since 1990, data have been collected from various locations across the WNYNSC at different times with varying frequency over the course of several decades. As a consequence, a number of potential issues can arise with respect to the assembly of a dataset that is deemed adequate for the characterization of residual radiological activity. These issues were assessed and resolved to the extent possible through careful consideration of the properties of the distributions. The intent was to use data which characterize the current state of the Site. Radionuclides can be designated to one of several groups depending on their origin. In this work the groups considered were 1) Naturally Occurring Radioactive Material (NORM), 2) fallout, and 3) Other (including power plant, medical research, etc). This grouping is a useful construct with respect to the interpretation of fixed laboratory results. For example, NORM radionuclides that exist within a decay chain should have approximately equivalent distributions of concentrations if they are representative of background conditions. Insights such as these can be used as a check to identify sample results that need to be further investigated or omitted due to issues associated with reported results from fixed laboratory analyses. This type of analysis provided a foundation for the assessment of the adequacy of sample results for use in subsequent components of an assessment. The general process for the assessment of residual radiological contamination at the Site consists of a sequence of several steps. First, for each analyte, several statistical tests were performed to assess the weight of evidence against the null hypothesis that the mean of the distribution of concentrations was equal to zero. If the mean of the distribution of concentrations for a given radionuclide was not found to be greater than zero, then it was removed from consideration as a component of the residual radiological contamination. If there was significant evidence to reject the hypothesis of the mean being equal to zero, the second step was to compare the distribution of the data from the Site to that of the corresponding background. A suite of tests was used to compare the distributions of the site and background data. The results of these tests were collectively used to determine if site data are elevated relative to background. The third step was to develop distributions using a Bayesian framework to characterize the distribution of mean of the increment present above background for each of the radionuclides. The Bayesian model implemented allowed for the comparison of site-specific records to background concentrations to better approximate contamination attributed to the Site. A final screening step was employed for radionuclides that exceed background. This screening step compared 95% upper confidence limits (UCLs) from the increment distribution developed in the previous step to the risk screening levels. This approach yields a list of analytes that were determined to be elevated relative to background.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

ESS-DIVE Reporting Format for Dataset Package Metadata

ESS-DIVE’s (Environmental Systems Science Data Infrastructure for a Virtual Ecosystem) dataset metadata reporting format is intended to compile information about a dataset (e.g., title, description, funding sources) that can enable reuse of data submitted to the ESS-DIVE data repository. The files contained in this dataset include instructions (dataset_metadata_guide.md and README.md) that can be used to understand the types of metadata ESS-DIVE collects. The data dictionary (dd.csv) follows ESS-DIVE’s file-level metadata reporting format and includes brief descriptions about each element of the dataset metadata reporting format. This dataset also includes a terminology crosswalk (dataset_metadata_crosswalk.csv) that shows how ESS-DIVE’s metadata reporting format maps onto other existing metadata standards and reporting formats.Data contributors to ESS-DIVE can provide this metadata by manual entry using a web form or programmatically via ESS-DIVE’s API (Application Programming Interface). A metadata template (dataset_metadata_template.docx or dataset_metadata_template.pdf) can be used to collaboratively compile metadata before providing it to ESS-DIVE.Since being incorporated into ESS-DIVE’s data submission user interface, ESS-DIVE’s dataset metadata reporting format, has enabled features like automated metadata quality checks, and dissemination of ESS-DIVE datasets onto other data platforms including Google Dataset Search and DataCite.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

waveSZ: A Hardware-Algorithm Co-Design of Efficient Lossy Compression for Scientific Data

Error-bounded lossy compression is critical to the success of extreme-scale scientific research because of ever-increasing volumes of data produced by today's high-performance computing (HPC) applications. Not only can error-controlled lossy compressors significantly reduce the I/O and storage burden but they can retain high data fidelity for post analysis. Existing state-of-the-art lossy compressors, however, generally suffer from relatively low compression and decompression throughput (up to hundreds of megabytes per second on a single CPU core), which considerably restrict the adoption of lossy compression by many HPC applications especially those with a fairly high data production rate. In this paper, we propose a highly efficient lossy compression approach based on field programmable gate arrays (FPGAs) under the state-of-the-art lossy compression model SZ. Our contributions are fourfold. (1) We adopt a wavefront memory layout to alleviate the data dependency during the prediction for higher-dimensional predictors, such as the Lorenzo predictor. (2) We propose a co-design framework named WAVESZ based on the wavefront memory layout and the characteristics of SZ algorithm and carefully implement it by using high-level synthesis. (3) We propose a hardware-algorithm co-optimization method to improve the performance. (4) We evaluate our proposed WAVESZ on three real-world HPC simulation datasets from the Scientific Data Reduction Benchmarks and compare it with other state-of-the-art methods on both CPUs and FPGAs. Experiments show that our WAVESZ can improve SZ's compression throughput by 6.9x similar to 8.7x over the production version running on a state-of-the-art CPU and improve the compression ratio and throughput by 2.1x and 5.8x on average, respectively, respectively, compared with the state-of-the-art FPGA design.

Compression Ratio↗
NASA NTRSDate not supplied

Open Science for Life in Space: Bioimaging, Data Sharing, and Tools for Knowledge Discovery

Precious space-flown biological experiments have both multi-omic and phenotypic data which NASA strives to make maximally open access for reuse. Currently a number of these space-relevant bioimaging datasets are being reused for AI/ML approaches. NASA Ames Life Science Data Archive and NASA GeneLab are working to make all current and future bioimaging data even more accessible and reusable. Standards for collection and curation are being implemented to enable scientists worldwide access to these data for further discovery and use.

data science↗
DOE OSTI2026

VirJenDB: a FAIR (meta)data and bioinformatics platform for all viruses

High-throughput sequencing has generated an unprecedented volume of data. However, researcher-submitted data in repositories requires extensive curation and quality control for reuse. These tasks are hindered by the multiplicity of repositories, the sheer volume of the data, and the complexity of virus (meta)data curation. To address these challenges, VirJenDB offers a user-friendly platform to facilitate versioned, community-driven curation, and ontology development. Virus sequences were ingested from 16 sources, including ~200 fields of metadata or standards, covering taxonomy, sample, and host information. Up to 85 metadata fields have undergone at least one round of curation, and are linked to 15.4 million virus sequences, with 88 % from those infecting eukaryotes and the remaining infecting prokaryotes. Subsets were created, including a novel collection of 0.91 million viral operational taxonomic unit (vOTU) sequences across all viruses, while keeping the original sequences from each vOTU to facilitate downstream analyses, e.g. sequence variation. The VirJenDB web portal (https://www.virjendb.org) provides HTTPS and Application Programming Interface (API) access to the sequence datasets and metadata, offering a search engine, filtering, download, visualizations, and documentation. VirJenDB aims to connect the phage and eukaryotic virus research communities by supporting webtool integration, meta-analyses, and metadata schema extensions.

Saghaei, Shahram↗
NASA NTRS2019

Standards and Best Practices - Two NASA Examples

Formal international standards as well as promotion of community or recommended practices have their place in ensuring "FAIRness" of data. Data management in NASA's Earth Observation System Data and Information System (EOSDIS) has benefited from both of these avenues to a significant extent. The purpose of this paper is to present one example of each of these, which promote (re)usability. The first is an ISO standard for specifying preservation content from Earth observation missions. The work on this started in 2011, informally within the Earth Science Information Partners (ESIP) in the US, while the European Space Agency (ESA) was leading an effort on Long-Term Data Preservation (LTDP). Resulting from the ESIP discussions was NASA's Preservation Content Specification, which was applied in 2012 as a requirement for NASA's new missions. ESA's Preserved Data Set Content (PDSC) document was codified into a document adopted by the Committee on Earth Observation Satellites (CEOS). It was recognized that it would be useful to combine PCS and PDSC into an ISO standard to ensure consistency in data preservation on a broader international scale. This standard, numbered ISO 19165-2 has been under development since mid-2017. The second is an example of developing recommendations for "best practices" within more limited (still fairly broad) communities. A Data Product Developers' Guide (DPDG) is currently being developed by one of NASA's Earth Science Data System Working Groups (ESDSWGs). It is for use by developers of products to be derived from Earth observation data to improve product (re)usability. One of the challenges in developing the guide is the fact that there are already many applicable standards and guides. The relevant information needs to be selected and expressed in a succinct manner, with appropriate pointers to references. The DPDG aims to compile the most applicable parts of earlier guides into a single document outlining the typical development process for Earth Science data products. Standards and best practices formally endorsed by the Earth Science Data and Information System (ESDIS) Standards Office (ESO), outputs from ESDSWGs (e.g., Dataset Interoperability Working Group, and Data Quality Working Group), and recommendations from Distributed Active Archive Centers and data producers are emphasized.

Ramapriyan, Hampapuram↗
NASA NTRS2013

Range-Specific High-resolution Mesoscale Model Setup

This report summarizes the findings from an AMU task to determine the best model configuration for operational use at the ER and WFF to best predict winds, precipitation, and temperature. The AMU ran test cases in the warm and cool seasons at the ER and for the spring and fall seasons at WFF. For both the ER and WFF, the ARW core outperformed the NMM core. Results for the ER indicate that the Lin microphysical scheme and the YSU PBL scheme is the optimal model configuration for the ER. It consistently produced the best surface and upper air forecasts, while performing fairly well for the precipitation forecasts. Both the Ferrier and Lin microphysical schemes in combination with the YSU PBL scheme performed well for WFF in the spring and fall seasons. The AMU has been tasked with a follow-on modeling effort to recommended local DA and numerical forecast model design optimized for both the ER and WFF to support space launch activities. The AMU will determine the best software and type of assimilation to use, as well as determine the best grid resolution for the initialization based on spatial and temporal availability of data and the wall clock run-time of the initialization. The AMU will transition from the WRF EMS to NU-WRF, a NASA-specific version of the WRF that takes advantage of unique NASA software and datasets. 37

Watson, Leela R.↗
DOE OSTI2021

Call to Action for Global Access to and Harmonization of Quality Information of Individual Earth Science Datasets

Knowledge about the quality of data and metadata is important to support informed decisions on the (re)use of individual datasets and is an essential part of the ecosystem that supports open science. Quality assessments reflect the reliability and usability of data. They need to be consistently curated, fully traceable, and adequately documented, as these are crucial for sound decision- and policy-making efforts that rely on data. Quality assessments also need to be consistently represented and readily integrated across systems and tools to allow for improved sharing of information on quality at the dataset level for individual quality attribute or dimension. Although the need for assessing the quality of data and associated information is well recognized, methodologies for an evaluation framework and presentation of resultant quality information to end users may not have been comprehensively addressed within and across disciplines. Global interdisciplinary domain experts have come together to systematically explore needs, challenges and impacts of consistently curating and representing quality information through the entire lifecycle of a dataset. This paper describes the findings of that effort, argues the importance of sharing dataset quality information, calls for community action to develop practical guidelines, and outlines community recommendations for developing such guidelines. Practical guidelines will allow for global access to and harmonization of quality information at the level of individual Earth science datasets, which in turn will support open science.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗