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The PDS4 Information Model Design Principles - How Well Did They Work?

The Planetary Data System (PDS) recently released Version 1.5 of the PDS4 Information Model, the primary component of the PDS4 Information Architecture. The Information Model is now stable and is in use by three active missions and several missions in various phases of development. The Information Model drives the PDS4 Information System using a multi-level governance structure that provides for common, discipline, and mission level management of the system’s information standards. For the development of the PDS4 Information Model several design principles were adopted. This paper will describe each design principle and then explain how well they worked, problems encountered during development and their solutions, and how well the results meet the requirements of the multi-discipline planetary science community.

Martin, Michael↗

Asthma and Particulate Matter Pollution: Insights from Health Survey and Air Quality Monitoring in the Buzzard Point, Washington, DC Neighborhood

Air pollution, climate change, and other environmental factors contribute to increasing asthma in manycities, including Washington, DC. This work provides a case study of how community input, neighborhood-level health surveys, and air quality monitoring can inform the understanding of asthma and air pollution.A partnership between residents, concerned citizens, scientists, and educators has been working for envi-ronmental health in a DC neighborhood located on a major roadway, next to concrete batch plants andclose to several construction projects. A 2016 Community Health and Safety Study by the DC Departmentof Health, Office of Health Equity, recognized this particular neighborhood as more vulnerable to healthimpacts from recent construction in the area, compared with the surrounding areas, due to lower averageincome and higher percentage of seniors and children. This work presents neighborhood health surveysand air quality monitoring data at a more granular, local level than available from DC governmentagencies. The health surveys documented residents’ experiences around air pollution, asthma,and other health concerns. A key finding was evidence that asthma might be undercounted in thisneighborhood; among residents who did not indicate a diagnosis of asthma, many discussed havingsymptoms that could reflect asthma. Air quality monitoring (particulate matter [PM]) did not indicate thatfederal air quality standards have been violated. Real-time PM data, however,illustrated how current PMstandards, such as 1- and 24-hour averages, may fail to capture shorter duration high PM events that areconsistent with resident concerns.

Shizuka Hsieh↗

Soil Moisture Active Passive Mission L4_SM Data Product Assessment (Version 2 Validated Release)

During the post-launch SMAP calibration and validation (Cal/Val) phase there are two objectives for each science data product team: 1) calibrate, verify, and improve the performance of the science algorithm, and 2) validate the accuracy of the science data product as specified in the science requirements and according to the Cal/Val schedule. This report provides an assessment of the SMAP Level 4 Surface and Root Zone Soil Moisture Passive (L4_SM) product specifically for the product's public Version 2 validated release scheduled for 29 April 2016. The assessment of the Version 2 L4_SM data product includes comparisons of SMAP L4_SM soil moisture estimates with in situ soil moisture observations from core validation sites and sparse networks. The assessment further includes a global evaluation of the internal diagnostics from the ensemble-based data assimilation system that is used to generate the L4_SM product. This evaluation focuses on the statistics of the observation-minus-forecast (O-F) residuals and the analysis increments. Together, the core validation site comparisons and the statistics of the assimilation diagnostics are considered primary validation methodologies for the L4_SM product. Comparisons against in situ measurements from regional-scale sparse networks are considered a secondary validation methodology because such in situ measurements are subject to up-scaling errors from the point-scale to the grid cell scale of the data product. Based on the limited set of core validation sites, the wide geographic range of the sparse network sites, and the global assessment of the assimilation diagnostics, the assessment presented here meets the criteria established by the Committee on Earth Observing Satellites for Stage 2 validation and supports the validated release of the data. An analysis of the time average surface and root zone soil moisture shows that the global pattern of arid and humid regions are captured by the L4_SM estimates. Results from the core validation site comparisons indicate that "Version 2" of the L4_SM data product meets the self-imposed L4_SM accuracy requirement, which is formulated in terms of the ubRMSE: the RMSE (Root Mean Square Error) after removal of the long-term mean difference. The overall ubRMSE of the 3-hourly L4_SM surface soil moisture at the 9 km scale is 0.035 cubic meters per cubic meter requirement. The corresponding ubRMSE for L4_SM root zone soil moisture is 0.024 cubic meters per cubic meter requirement. Both of these metrics are comfortably below the 0.04 cubic meters per cubic meter requirement. The L4_SM estimates are an improvement over estimates from a model-only SMAP Nature Run version 4 (NRv4), which demonstrates the beneficial impact of the SMAP brightness temperature data. L4_SM surface soil moisture estimates are consistently more skillful than NRv4 estimates, although not by a statistically significant margin. The lack of statistical significance is not surprising given the limited data record available to date. Root zone soil moisture estimates from L4_SM and NRv4 have similar skill. Results from comparisons of the L4_SM product to in situ measurements from nearly 400 sparse network sites corroborate the core validation site results. The instantaneous soil moisture and soil temperature analysis increments are within a reasonable range and result in spatially smooth soil moisture analyses. The O-F residuals exhibit only small biases on the order of 1-3 degrees Kelvin between the (re-scaled) SMAP brightness temperature observations and the L4_SM model forecast, which indicates that the assimilation system is largely unbiased. The spatially averaged time series standard deviation of the O-F residuals is 5.9 degrees Kelvin, which reduces to 4.0 degrees Kelvin for the observation-minus-analysis (O-A) residuals, reflecting the impact of the SMAP observations on the L4_SM system. Averaged globally, the time series standard deviation of the normalized O-F residuals is close to unity, which would suggest that the magnitude of the modeled errors approximately reflects that of the actual errors. The assessment report also notes several limitations of the "Version 2" L4_SM data product and science algorithm calibration that will be addressed in future releases. Regionally, the time series standard deviation of the normalized O-F residuals deviates considerably from unity, which indicates that the L4_SM assimilation algorithm either over- or under-estimates the actual errors that are present in the system. Planned improvements include revised land model parameters, revised error parameters for the land model and the assimilated SMAP observations, and revised surface meteorological forcing data for the operational period and underlying climatological data. Moreover, a refined analysis of the impact of SMAP observations will be facilitated by the construction of additional variants of the model-only reference data. Nevertheless, the “Version 2” validated release of the L4_SM product is sufficiently mature and of adequate quality for distribution to and use by the larger science and application communities.

SMAP L4_SM↗

Intercomparison of Evapotranspiration Measurement Methods for Vegetable Crops in California

Recent drought events in California and legislation passed with the goal of increasing the sustainability of groundwater supplies have led to increased interest in tools to optimize irrigation schedules and increase on-farm water used efficiency. With more than 400 different crops produced in California, evapotranspiration-based irrigation scheduling is a promising and well-established approach. However, there is a need for accurate methods to estimate crop evapotranspiration (ET(sub c)) across the diverse range of crops grown, coupled with cost-effective methods for quantifying the accuracy of these tools. In this study, we evaluated remotely sensed estimates of ET(sub c) and associated crop water requirements from NASA's Satellite Irrigation Support (SIMS) system for two vegetable crops and measured crop evapotranspiration ET(sub c) using multiple methods, including weighing lysimeters, eddy covariance towers (EC), and surface renewal stations. We compared ET(sub c) data from these measurements with remotely sensed basal crop evapotranspiration (ET(sub cb)) data from SIMS as well as ET(sub c) data from a standard FAO-56 crop coefficient approach. Studies were conducted for sugar beets in Five Points, CA from 2014 to 2015 and studies are ongoing for fresh market tomatoes in Firebaugh, CA. We present results from these intercomparison studies and describe implications for future studies to quantify the accuracy of remotely sensed measures of ET(sub c). Highlights from results to date include strong correlations between ET measured with both surface renewal instrumentation and eddy covariance calculations using a 3D sonic anemometer and ET(sub c) data measured with the weighing lysimeter, with respective R2 values of 0.7964 (surface renewal) and 0.8034 (eddy covariance). This study provides insights into agreement between different approaches for monitoring evapotranspiration and provides another reference point for the community working to develop accurate and cost-effective tools that support growers in optimizing irrigation management.

Measurement↗

Toward High-Quality X-59 Sonic Thump Measurements

Brigham Young University has been investigating best practices for recommendation to NASA in upcoming X-59 sonic thump measurements. This preparatory work has focused both on obtaining high-fidelity data and standardizing signal analysis techniques for sonic thumps. Included in the research are topics such as whether to use a ground-based or elevated microphone, how to use low-noise microphones and still recover high-fidelity data at low frequencies, and estimating the uncertainty in a given measurement due to local atmospheric turbulence effects. Also included is a study of windowing techniques, zero padding, and the removal of high-frequency ambient noise contamination.

sonic boom↗

Evolving the SpaceFOM: Lessons Learned and Future Development

For over fifty years, simulation has been a cornerstone technology for space missions. In many cases, one single simulator, developed by one team, is not enough to meet the simulation objectives. Astronaut crew training, docking, vehicle testing and complex mission planning all require several simulations to be connected and to interoperate, in order to achieve the goal of the simulation. To facilitate the development of interoperable simulations, an open standard, the SISO SpaceFOM was developed in collaboration between government, industry and academia. The standard was released in 2020. The initial release of SpaceFOM focuses on the core interoperability topics for space simulation: (i) specifying spatial data using several, well defined reference frames, (ii) managing time (including real-time, hard real-time, and as-fast-as-possible execution), (iii) composition of systems with subsystems such as space vehicles, and (iv) execution control, such as initializing, running, pausing, and terminating simulations. The initial release of SpaceFOM focuses on the core interoperability topics for space simulation: (i) specifying spatial data using several, well defined reference frames, (ii) managing time (including real-time, hard real-time, and as-fast-as-possible execution), (iii) composition of systems with subsystems such as space vehicles, and (iv) execution control, such as initializing, running, pausing, and terminating simulations. A number of requirements for the next version of SpaceFOM have been identified and proposed solutions are already under development. One key area is the object classes used for data exchange, where a richer set of classes have been proposed, based on practical use cases. For time management, the use of variable time resolutions and variable time steps is also proposed. For execution control, save and restore of simulations is considered as well as improved robustness, to handle failing components. A number of clarifications are also under consideration. This paper provides both a forward-looking view of the technical developments underway and a retrospective on the standard's evolution. The authors emphasize that prioritizing core challenges and delivering a practical first version were crucial steps. While not every idea was implemented in the initial release, the timely delivery of a functional standard enabled real-world applications, the growth of a user community, and the collection of valuable insights to shape future versions. The authors look forward to working with the next version of SpaceFOM together with the growing user community.

Simulation Interoperability↗

Evolving the SpaceFOM: Lessons Learned and Future Development

For over fifty years, simulation has been a cornerstone technology for space missions. In many cases, one single simulator, developed by one team, is not enough to meet the simulation objectives. Astronaut crew training, docking, vehicle testing and complex mission planning all require several simulations to be connected and to interoperate, in order to achieve the goal of the simulation. To facilitate the development of interoperable simulations, an open standard, the SISO SpaceFOM was developed in collaboration between government, industry and academia. The standard was released in 2020. The initial release of SpaceFOM focuses on the core interoperability topics for space simulation: (i) specifying spatial data using several, well defined reference frames, (ii) managing time (including real-time, hard real-time, and as-fast-as-possible execution), (iii) composition of systems with subsystems such as space vehicles, and (iv) execution control, such as initializing, running, pausing, and terminating simulations. A number of requirements for the next version of SpaceFOM have been identified and proposed solutions are already under development. One key area is the object classes used for data exchange, where a richer set of classes have been proposed, based on practical use cases. For time management, the use of variable time resolutions and variable time steps is also proposed. For execution control, save and restore of simulations is considered as well as improved robustness, to handle failing components. A number of clarifications are also under consideration. This paper provides both a forward-looking view of the technical developments underway and a retrospective on the standard's evolution. The authors emphasize that prioritizing core challenges and delivering a practical first version were crucial steps. While not every idea was implemented in the initial release, the timely delivery of a functional standard enabled real-world applications, the growth of a user community, and the collection of valuable insights to shape future versions. The authors look forward to working with the next version of SpaceFOM together with the growing user community.

FOMs↗

Constraining the destruction rate of K 40 in stellar nucleosynthesis through the study of the Ar 40 ( p , n ) K 40 reaction

Background: We present that K 40 plays a significant role in the radiogenic heating of Earth-like exoplanets, which can affect the development of a habitable environment on their surfaces. The initial amount of K 40 in the interior of these planets depends on the composition of the interstellar clouds from which they formed. Within this context, nuclear reactions that regulate the production of K 40 during stellar evolution can play a critical role. Purpose: In this study, we constrain for the first time the astrophysical reaction rate of K 40 ( n , p ) Ar 40 , which is responsible for the destruction of K 40 during stellar nucleosynthesis. We provide to the nuclear physics community high-resolution data on the cross section and angular distribution of the Ar 40 ( p , n ) K 40 reaction. These are important to various applications involving Ar 40 . The associated reaction rate of the Ar 40 ( p , n ) K 40 process addresses a reaction rate gap in the Joint Institute for Nuclear Astrophysics REACLIB database in the region of intermediate-mass isotopes. Methods: We performed differential cross-section measurements on the Ar 40 ( p , n ) K 40 reaction, for six energies in the center-of-mass system between 3.2 and 4.0 MeV and various angles between 0 ° and 135 ° . The experiment took place at the Edwards Accelerator Laboratory at Ohio University using the beam swinger target location and a standard neutron time-of-flight technique. We extracted total and partial cross sections by integrating the double differential cross sections we measured. Results: The total and partial cross sections varied with energy due to the contribution from isobaric analog states and Ericson type fluctuations. The energy-averaged neutron angular distributions were symmetrical relative to 90 ° . Based on the experimental data, local transmission coefficients were extracted and were used to calculate the astrophysical reaction rates of Ar 40 ( p , n ) K 40 and K 40 ( n , p ) Ar 40 reactions. The new rates were found to vary significantly from the theoretical rates in the REACLIB library. We implemented the new rates in network calculations to study nucleosynthesis via the slow neutron capture process, and we found that the produced abundance of K 40 is reduced by up to 10% compared to calculations with the library rates. At the same time, the above result removes a significant portion of the previous theoretical uncertainty on the K 40 yields from stellar evolution calculations. Conclusions: Our results support a destruction rate of K 40 in massive stars via the K 40 ( n , p ) Ar 40 reaction that is larger compared to previous estimates. The rate of K 40 destruction via the K 40 ( n , p ) Ar 40 reaction now has a dramatically reduced uncertainty based on our measurement. Lastly, this result directly affects the predicted stellar yields of K 40 from nucleosynthesis, which is a critical input parameter for the galactic chemical evolution models that are currently employed for the study of significant properties of exoplanets.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FeGenie: a comprehensive tool for the identification of iron genes and iron gene neighborhoods in genomes and metagenome assemblies

Iron is a micronutrient for nearly all life on Earth. It can be used as an electron donor and electron acceptor by iron-oxidizing and iron-reducing microorganisms and is used in a variety of biological processes, including photosynthesis and respiration. While it is the fourth most abundant metal in the Earth’s crust, iron is often limiting for growth in oxic environments because it is readily oxidized and precipitated. Much of our understanding of how microorganisms compete for and utilize iron is based on laboratory experiments. However, the advent of next-generation sequencing and surge in publicly available sequence data has made it possible to probe the structure and function of microbial communities in the environment. To bridge the gap between our understanding of iron acquisition, iron redox cycling, iron storage, and magnetosome formation in model microorganisms and the plethora of sequence data available from environmental studies, we have created a comprehensive database of hidden Markov models (HMMs) based on genes related to iron acquisition, storage, and reduction/oxidation in Bacteria and Archaea. Along with this database, we present FeGenie, a bioinformatics tool that accepts genome and metagenome assemblies as input and uses our comprehensive HMM database to annotate provided datasets with respect to iron-related genes and gene neighborhood. An important contribution of this tool is the efficient identification of genes involved in iron oxidation and dissimilatory iron reduction, which have been largely overlooked by standard annotation pipelines. We validated FeGenie against a selected set of 28 isolate genomes and showcase its utility in exploring iron genes present in 27 metagenomes, 4 isolate genomes from human oral biofilms, and 17 genomes from candidate organisms, including members of the candidate phyla radiation. We show that FeGenie accurately identifies iron genes in isolates. Furthermore, analysis of metagenomes using FeGenie demonstrates that the iron gene repertoire and abundance of each environment is correlated with iron richness. While this tool will not replace the reliability of culture-dependent analyses of microbial physiology, it provides reliable predictions derived from the most up-to-date genetic markers. FeGenie’s database will be maintained and continually updated as new genes are discovered.

59 BASIC BIOLOGICAL SCIENCES↗

VA Community Determinants of Health Data Curation Documentation FY25-Q4

The U.S. Department of Veterans Affairs (VA) places the health and well-being of our nation’s veterans as its top priority. VA is dedicated to offering timely access to high-quality, evidence-based mental health care that meets the needs of veterans and supports their reintegration into society. One of our core missions is to prevent suicide among veterans through innovative approaches and resources. With funding from the VA Office of Mental Health and Suicide Prevention (OMHSP), the Determinants of Health (EDH) project has developed innovative datasets associated with specific health outcomes, a methodology for transforming spatiotemporal data from one spatial reference (e.g., a 1km grid) to another (e.g., US Census Tracts), and capabilities for modeling health outcomes. These datasets represent an enhancement of the Agency for Healthcare Research and Quality (AHRQ), addressing key gaps by introducing finer spatial resolution (Census Tract) and additional geographical covariates into existing data. The curation and standardization of these datasets is a complex task since they often originate from various sources and are measured at different spatial and temporal resolutions. For example, US Census data products typically use census blocks, block groups, or counties, while data like weather data are available on 1km grids. Some economic data may only be available at the zip code level. In this context, standardized’ means that all datasets share the same spatial extent (e.g., US Census Tract and/or County), and ‘curated’ implies a repeatable process with data provenance and the use of appropriate methodologies for covariate conversion. The Determinants of Health datasets draw from multiple sources, resulting in variables with varying degrees of availability, patterns of missing data, and methodological considerations across different sources, geographies, and years.

97 MATHEMATICS AND COMPUTING↗

The Right Amount of Glue: Technologies and Standards Relevant to a Future Solar-Terrestrial Data Environment

In order to meet the challenge of developing a new system science, we will need to employ technology that enables researchers to access data from fields with which they are at least initially unfamiliar as well as from sources they use more regularly. At the same time, the quantity of data to be obtained by missions such as the Solar Dynamics Observatory demands ease and simplicity of data access. These competing demands must in turn fit within severely constrained funding for data analysis in such projects. Based on experience in only a single discipline but with a diversity of data types and sources, we will give examples of technology that have made a significant difference in the way people do science. Similarly, we will show how adoption of a well-documented data format has made it easier for one community to search, reduce, and analyze data. We will also describe a community-supported data reduction and analysis software tree with useful features. We will attempt to generalize the lessons learned in these instances to features the broader, solar-terrestrial community might find compelling, while avoiding overdesign of a common data environment.

Gurman, J. B.↗

Differentiable Simulation of a Liquid Argon Time Projection Chamber

Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors in order to develop physics analyses in a realistic setting. The ability of these simulators to mimic real, measured data is limited by the modeling of the physical detectors used for data collection. This modeling can be improved by performing dedicated calibration measurements. Conventional approaches calibrate individual detector parameters or processes one at a time. However, the impact of detector processes is entangled, making this a poor description of the underlying physics. We introduce a differentiable simulator that enables a gradient-based optimization, allowing for the first time a simultaneous calibration of all detector parameters. We describe the procedure of making a differentiable simulator, highlighting the challenges of retaining the physics quality of the standard, non-differentiable version while providing meaningful gradient information. We further discuss the advantages and drawbacks of using our differentiable simulator for calibration. Finally, we provide a starting point for extensions to our approach, including applications of the differentiable simulator to physics analysis pipelines.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advancing the Standards for Unmanned Air System Communications, Navigation and Surveillance

Under NASA program NNA16BD84C, new architectures were identified and developed for supporting reliable and secure Communications, Navigation and Surveillance (CNS) needs for Unmanned Air Systems (UAS) operating in both controlled and uncontrolled airspace. An analysis of architectures for the two categories of airspace and an implementation technology readiness analysis were performed. These studies produced NASA reports that have been made available in the public domain and have been briefed in previous conferences. We now consider how the products of the study are influencing emerging directions in the aviation standards communities. The International Civil Aviation Organization (ICAO) Communications Panel (CP), Working Group I (WG-I) is currently developing a communications network architecture known as the Aeronautical Telecommunications Network with Internet Protocol Services (ATN/IPS). The target use case for this service is secure and reliable Air Traffic Management (ATM) for manned aircraft operating in controlled airspace. However, the work is more and more also considering the emerging class of airspace users known as Remotely Piloted Aircraft Systems (RPAS), which refers to certain UAS classes. In addition, two Special Committees (SCs) in the Radio Technical Commission for Aeronautics (RTCA) are developing Minimum Aviation System Performance Standards (MASPS) and Minimum Operational Performance Standards (MOPS) for UAS. RTCA SC-223 is investigating an Internet Protocol Suite (IPS) and AeroMACS aviation data link for interoperable (INTEROP) UAS communications. Meanwhile, RTCA SC-228 is working to develop Detect And Avoid (DAA) equipment and a Command and Control (C2) Data Link MOPS establishing LBand and C-Band solutions. These RTCA Special Committees along with ICAO CP WG/I are therefore overlapping in terms of the Communication, Navigation and Surveillance (CNS) alternatives they are seeking to provide for an integrated manned- and unmanned air traffic management service as well as remote pilot command and control. This paper presents UAS CNS architecture concepts developed under the NASA program that apply to all three of the aforementioned committees. It discusses the similarities and differences in the problem spaces under consideration in each committee, and considers the application of a common set of CNS alternatives that can be widely applied. As the works of these committees progress, it is clear that the overlap will need to be addressed to ensure a consistent and safe framework for worldwide aviation. In this study, we discuss similarities and differences in the various operational models and show how the CNS architectures developed under the NASA program apply.

Ponchak, Denise S.↗

ThermoBase: A Database of the Phylogeny and Physiology of Thermophilic and Hyperthermophilic Organisms

Thermophiles and hyperthermophiles are those organisms which grow at high temperature (> 40°C). The unusual properties of these organisms have received interest in multiple fields of biological research, and have found applications in biotechnology, especially in industrial processes. However, there are few listings of thermophilic and hyperthermophilic organisms and their relevant environmental and physiological data. Such repositories can be used to standardize definitions of thermophile and hyperthermophile limits and tolerances and would mitigate the need for extracting organism data from diverse literature sources across multiple, sometimes loosely related, research fields. Therefore, we have developed ThermoBase, a web-based and freely available database which currently houses comprehensive descriptions for 1238 thermophilic or hyperthermophilic organisms. ThermoBase reports taxonomic, metabolic, environmental, experimental, and physiological information in addition to literature resources. This includes parameters such as coupling ions for chemiosmosis, optimal pH and range, optimal temperature and range, optimal pressure, and optimal salinity. The database interface allows for search features and sorting of parameters. As such, it is the goal of ThermoBase to facilitate and expedite hypothesis generation, literature research, and understanding relating to thermophiles and hyperthermophiles within the scientific community in an accessible and centralized repository. ThermoBase is freely available online at the Astrobiology Habitable Environments Database (AHED; https://ahed.nasa.gov), at the Database Center for Life Science (TogoDB; http://togodb.org/db/thermobase), and in the S1 File.

Thermophiles↗

NASA's Implementation of Cloud Services for Human Space Flight

Cloud is a tried-and-true technology used throughout United States government agencies, including the National Aeronautics and Space Administration (NASA). With reliable results and infrequent downtimes, cloud allows for secure remote access, customizability, and streamlined monitoring options, creating an environment for better data integrity and availability. As NASA increasingly migrates functions to the cloud, the Space Communications and Navigation Program (SCaN) program has been investigating how this capability can be leveraged to provide communication services to its users and customers. Currently, missions such as NASA-ISRO Synthetic Aperture Radar (NISAR), Plankton, Aerosol, Cloud, ocean Ecosystem (PACE), and Roman Space Telescope (RST) are planned to incorporate cloud into their data delivery architecture. However, SCaN is looking to expand further. This conversion to using cloud services allows for greater availability of mission data for both robotic and human space flight (HSF)missions. The SCaN program and the Near Space Network (NSN) are working to consolidate resources and create a cloud environment suitable for the entirety of the SCaN program network architecture. SCaN is in the process of finalizing its cloud architecture and soon will be implementing cloud services. The new services used will adhere to federal regulations including Federal Risk and Authorization Management Program (FedRAMP), which is built upon National Institute of Standards and Technology (NIST)documentation. While keeping in mind these security requirements, an auxiliary objective of the cloud integration is to ensure the most cost-efficient solution; providing a scalable, robust and resilient system. Using cloud services, NASA will gain access to better centralized monitoring and management features, along with customizable services on a pay-per-use plan. With the ever-growing NASA mission data volume needs, maintaining ample storage space is another major constraint. Processing and storing such large amounts of data, on the order of terabytes a day, requires dynamic processing capability which is inherently a strength of cloud computing. By routing this data from ground stations through the cloud, there will be greater ease of access for both SCaN and the user community. Artificial intelligence and other built-in cloud functions can also enhance efficiency, improving data processing time. Thereby also allowing for better data availability. As we look to the future of cloud services, NASA will continue to leverage capabilities that will benefit NASA’s ability to provide cost-effective communication services. This paper further outlines the evolution of cloud use by SCaN in the context of Human Space Flight.

cloud storage↗

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

We report that community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single program. The Quantum Chemistry Common Driver and Databases (QCDB) project provides such capability through an application programming interface (API) that facilitates interoperability across multiple quantum chemistry software packages. In tandem with the Molecular Sciences Software Institute and their Quantum Chemistry Archive ecosystem, the unique functionalities of several CMS programs are integrated, including CFOUR, GAMESS, NWChem, OpenMM, Psi4, Qcore, TeraChem, and Turbomole, to provide common computational functions, i.e., energy, gradient, and Hessian computations as well as molecular properties such as atomic charges and vibrational frequency analysis. Both standard users and power users benefit from adopting these APIs as they lower the language barrier of input styles and enable a standard layout of variables and data. These designs allow end-to-end interoperable programming of complex computations and provide best practices options by default.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Overview of the Aeroelastic Prediction Workshop

The Aeroelastic Prediction Workshop brought together an international community of computational fluid dynamicists as a step in defining the state of the art in computational aeroelasticity. This workshop's technical focus was prediction of unsteady pressure distributions resulting from forced motion, benchmarking the results first using unforced system data. The most challenging aspects of the physics were identified as capturing oscillatory shock behavior, dynamic shock-induced separated flow and tunnel wall boundary layer influences. The majority of the participants used unsteady Reynolds-averaged Navier Stokes codes. These codes were exercised at transonic Mach numbers for three configurations and comparisons were made with existing experimental data. Substantial variations were observed among the computational solutions as well as differences relative to the experimental data. Contributing issues to these differences include wall effects and wall modeling, non-standardized convergence criteria, inclusion of static aeroelastic deflection, methodology for oscillatory solutions, post-processing methods. Contributing issues pertaining principally to the experimental data sets include the position of the model relative to the tunnel wall, splitter plate size, wind tunnel expansion slot configuration, spacing and location of pressure instrumentation, and data processing methods.

Heeg, Jennifer↗

Hilo Bay Water Resources: Monitoring Water Quality in Hilo Bay, Hawaii to Support Future Community Planning

Designated as an impaired body of water by both state and federal water quality standards, Hilo Bay, Hawaiʻi is highly susceptible to brown water, a condition where the water becomes murky and is associated with excess levels of bacteria, contaminants, and nutrients. A breakwater in Hilo Bay, which was established to protect Hilo town from tsunamis, interferes with water circulation and prolongs the presence of brown water in the bay. The State of Hawaiʻi issues brown water advisories (BWAs) following flash flood warnings, sewage spills, and other events to indicate a public health concern for those who use Hilo Bay for recreation, cultural purposes, and fishing. Due to the elevated public health risk and ecosystem disturbance that brown water poses to Hilo Bay, we partnered with the Hawaiʻi County Office of Sustainability, Climate, Equity, and Resilience (OSCER) to examine the feasibility of using Earth observations (EO) to monitor water quality in the Hilo Bay region. We leveraged data from Sentinel-2 Multispectral Instrument (MSI), Landsat 8 Operational Land Imager (OLI), Landsat 9 OLI-2, and Aqua and Terra Moderate Resolution Imagine Spectroradiometer (MODIS) instruments to identify and assess spatial and temporal patterns of two main water quality parameters, turbidity and chlorophyll-a, during BWAs. We used the Optical Reef and Coastal Area Assessment (ORCAA) tool in Google Earth Engine to process EO data and generate water quality maps and time series. Our study found that increased turbidity levels can be identified by EO data during BWAs. In addition, our map products indicated the presence of several turbidity plumes along the coast, with the highest concentration of turbidity found within Hilo Bay. While chlorophyll-a levels were relatively flat within our study region during BWAs, we found that regional chlorophyll-a patterns could be derived from MODIS chlorophyll-a data in NASA Worldview. Our study’s multi-sensor approach provided valuable insights for how water quality in the Hilo Bay region can be monitored in the future.

remote sensing↗