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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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At least 253 records · Page 14

A Computational Assessment of Actinide Dioxide Cations AnO 2 2+ for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O=An=O] 2+

The isolated gas-phase actinide dioxide dications, AnO 2 2+ , were evaluated by DFT and coupled cluster CCSD(T) calculations for 12 actinides, An = U–Lr. CASSCF calculations were used to define the orbitals for the CCSD(T) calculations. The characteristic linear [O$=$An$=$O] 2+ hexavalent actinyl(VI) was found to be the lowest energy structure for An = U, Np, and Pu, which also form stable actinyl(VI) species in solution and possibly for Am when spin–orbit effects are included. For Am, there is a divalent [An II (O 2 )] 2+ structure where the dioxygen is an end-on physisorbed η 1 - 3 O 2 2 kcal/mol above the actinyl when spin–orbit effects are included which lower the energy of the actinyl structure. For An = Cm, Bk, and Lr, the lowest energy structure is trivalent [An III (O 2 – )] 2+ where the dioxygen is a side-on superoxide, η 2 -O 2 – . For Cm, the actinyl is close in energy to the ground state when spin–orbit effects are included. For An = Cf, Es, Fm, Md, and No, the lowest energy structure is divalent [An II (O 2 )] 2+ where the dioxygen is an end-on physisorbed η 1 - 3 O 2 . The relative energies suggest that curyl(VI) and berkelyl(VI), like well-known americyl(VI), might be stabilized by coordinating ligands in condensed phases. The results further indicate that for californyl and beyond, the actinyl(VI) moieties will probably be elusive even using strong donor ligands. The prevalence of low oxidation states (OSs) An(II) and An(III) for transplutonium actinides reflects stabilization of the 5f orbitals and validates established trends, including the remarkably high stability of divalent No. Finally, bond distances and other parameters suggest maximum bond covalency around plutonyl(VI), with a particularly substantial decrease in bond strength between americyl(VI) and curyl(VI).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Self-Admitted Technical Debt in Scientific Software: Prioritization, Sentiment, and Propagation Across Artifacts

Self-admitted technical debt (SATD) impairs scientific software (SSW), yet its prioritization, sentiment, persistence, and propagation remains underexplored. Understanding how SSW developers express, and address SATD is crucial for improving SSW maintenance, and tooling. This study investigates how SATD types and artifacts in SSW are prioritized, how sentiment relates to urgency, SATD removal and resolution rates, and the extent to which SATD propagates across artifacts. We analyzed nine SSW repositories using a SATD classification model and a semantic embedding-based prioritization heuristic. SATD was examined across multiple artifacts, with sentiment assessed via a fine-tuned transformer. Propagation was traced, priority scores compared to static analysis, and removal and resolution rates quantified. SATD in comments, commits, and pull requests receive higher priority than SATD in issues, with negative sentiment amplifying urgency. Resolution and removal rates lag behind open-source software (OSS) averages. Most SATD remains confined to the originating artifact, but longer propagation chains are rare and correlate with higher priority, highlighting persistent and high impact debt. Prioritization is influenced by artifact type and sentiment, while low removal and resolution rates signal persistent debt. Cross-artifact propagation marks high priority, unresolved SATD, providing empirical guidance for targeted monitoring, review prioritization, and tool supported maintenance in SSW.

Melin, Eric [Boise State University]↗

HIGRAD/FIRETEC

This is the public-facing repository for the LANL-developed and maintained HIGRAD/FIRETEC software, a CFD software designed to simulate the coupled fire-atmospheric processes at a landscape-scale of resolution. Distribution is possible under OSS license O5086.

Josephson, Alexander [Los Alamos National Laborato↗

Rock Physics-Based Data Assimilation of Integrated Continuous Active-Source Seismic and Pressure Monitoring Data during Geological Carbon Storage

Summary There has been substantial controversy concerning the role of geological carbon storage (GCS) in sequestering anthropogenic carbon emissions to mitigate climate change and global warming. Arguments center on the inability to monitor a geological storage site precisely and continuously, especially highlighting the associated costs and spatiotemporal trade-offs when using conventional subsurface monitoring techniques (well logs, core samples, chemical tracers, and 4D seismics). Active surveillance of GCS sites is essential for managing and mitigating potential leaks but is also required by regulation. With the goal of enhancing the monitoring capability at GCS sites, we present a rock physics-based joint data assimilation model to study a popular GCS site at Cranfield, Mississippi, USA. Synthetic continuous active-source seismic monitoring (CASSM) data (in the form of Vp and Qp measurements) and wellbore pressure monitoring data are assimilated with an ensemble of reservoir realizations to monitor gas saturation and reservoir pressure changes over a period of 100 years. Synthetic seismic attributes are generated using rock physics models (RPMs) and wellbore pressure monitoring data are extracted from the ground truth. Two assimilation methods, ensemble Kalman filter (EnKF) and ensemble Kalman smoother (EnKS), are tested in an observation system simulation experiment (OSSE) environment to assess the prediction accuracy of the individual and composite observation systems. The joint monitoring system achieves more accurate estimates of gas saturation and pressure, across the time span from start of injection to end of forecast, as compared to a single type of monitoring tool and irrespective of data assimilation algorithm choice. These results indicate that jointly assimilated data from two types of sensors (in this case, crosswell seismic and downhole pressure) may lead to a more risk-reducing monitoring design. One would expect that more data, vis-à-vis inclusion of a new sensor type, will improve the accuracy of any GCS monitoring system. However, from a practical standpoint, one important question is whether such a gain in accuracy is worth the additional cost associated with the new sensor. This paper focuses on quantifying the gain in accuracy, such that a practitioner can answer this question.

Engineering↗

Description of the LASSO Data Bundles Product

The U. S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility began a pilot project in May 2015 to design a routine, high-resolution modeling capability to complement ARM’s extensive suite of measurements. This modeling capability has evolved into the Large-Eddy Simulation (LES) ARM Symbiotic Simulation and Observation (LASSO) datastream. The datastream, broadly termed data bundles, contains high-resolution model output, input files, observations for evaluation, and skill scores for the simulations. The initial focus of LASSO is on shallow convection at the ARM Southern Great Plains (SGP) atmospheric observatory. The availability of LES simulations with concurrent observations serves many purposes. LES helps bridge the scale gap between DOE ARM observations and models, and the use of routine LES adds value to observations. It provides a self-consistent representation of the atmosphere and a dynamical context for the observations. Further, it elucidates unobservable processes and properties. LASSO generates a simulation library for researchers that enables statistical approaches beyond a single-case mentality. It also provides tools necessary for modelers to reproduce the LES and conduct their own sensitivity experiments. The LASSO library of data bundles is designed to facilitate a wide range of research. For an observationalist, LASSO can help inform instrument remote-sensing retrievals, conduct observation system simulation experiments (OSSEs), and test implications of radar scan strategies or flight paths. For a theoretician, LASSO can help calculate estimates of fluxes and co-variability of values, and test relationships without having to run the model personally. For a modeler, LASSO can help one know ahead of time which days have good forcing, have co-registered observations at high-resolution scales, and have simulation inputs and corresponding outputs to test parameterizations. Further details on the overall LASSO project are available at https://www.arm.gov/capabilities/modeling/lasso.

54 ENVIRONMENTAL SCIENCES↗

Scaling Energy Efficient Retrofits for Small Commercial Apartment Buildings

With support from the U.S. Department of Energy’s (DOE) Building Technologies Office (BTO), the International Center for Appropriate and Sustainable Technology (ICAST) recently completed a three-year cooperative agreement to scale energy efficiency retrofits (EER) on small multifamily (MF) buildings. ICAST EER strategies ranged from low-hanging “direct install” of measures such as LED lighting, low-flow showerheads and aerators, and smart thermostats to major strategies such as HVAC replacement with high-efficiency boilers or heat pumps. As feasible, some projects also included the addition of renewable energy sources such as photo voltaic (PV) solar. When ICAST began the BTO project, it operated in two states and oversaw EER at approximately 80 MF buildings per year. With assistance from BTO, ICAST has grown significantly and now has staff in six states with MF EER projects in another seven, and performed EER on 956 MF buildings. ). ICAST was able to successfully execute this project by 1) Improving viability and efficiency of its processes, 2) Launching two new services and 3) Creating an affiliate program. For the most part, ICAST focused on a specific type of MF property: naturally occurring affordable housing (NOAH), because it is a significantly underserved market within the hard-to-serve MF market. NOAHs are typically smaller properties (5 to 64 units), owned by small organizations or individual investors looking for positive cash flow. ICAST believes the NOAH market can be successfully served with a one-stop-shop approach that makes it easy, hassle-free, and cost-effective for owners to acquire green upgrades for their property(ies). With the assistance of BTO funding, ICAST successfully used the cited EER methods and strategies to scale-up its OSS approach to service a greater number of MF housing and expand into new geographies. Additionally, support from BTO helped ICAST create self-sustaining programs which will not need to rely on on-going funding.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Leveraging ARM Data to Improve Models for Predictive Understanding of Energy and Security Challenges

Extreme weather and natural hazards can disrupt the energy sector, affecting demand, generation, transmission, distribution, consumption and operational planning at regional and national scales. These disruptions stem from a broad range of atmospheric phenomena, including winter storms, freezing rain, wet snow loading, severe convection, flooding and landslides, wildfires, prolonged heat, and drought. Many of these same phenomena can also affect national security through impacts to transportation and infrastructure. To support the U.S. Department of Energy (DOE) focus on energy resilience and national security, the Atmospheric Radiation Measurement (ARM) User Facility is uniquely positioned to contribute measurement data, analyses, and modeling frameworks that can significantly improve predictive understanding of these hazards to mitigate their effects. To explore this opportunity, ARM convened a two-part virtual workshop in November 2025. The workshop engaged interdisciplinary experts in atmospheric science, energy systems, modeling, and operations. The goal of the meeting was to engage with these interdisciplinary experts to address three questions: • What are examples of atmospheric processes that represent significant risks to energy security or national security and where are those risks greatest? • What measurements or measurement strategies would improve ARM’s capacity to address these issues? • How can ARM and users of the ARM facility better work with the Energy Exascale Earth System Model (E3SM) and multi-sector modeling communities to apply ARM data to improving E3SM simulations of these phenomena? Participants were asked to submit white papers ahead of the meeting to initiate thinking on these themes and to help organize discussions. Workshop sessions were then organized around themes identified in the white papers. First from the white papers and then through subsequent discussions, workshop participants identified many examples that address the three questions listed above. Participants called out energy system vulnerabilities to weather phenomena such as the impact of freezing rain, strong winds, and excessive heat on power grids. They also noted the effects that weather phenomena could have on energy demand or supply (e.g., through effects of extreme temperatures). They called out security vulnerabilities such as impacts to crops from aerosol-borne pathogens and risks to industry due to melting permafrost in the Arctic. In all, over a dozen meteorological phenomena were linked to energy or security vulnerabilities. For many of the identified phenomena, participants pointed out where ARM was well poised to address issues (e.g., through measurements of cloud microphysics to inform studies of freezing rain) but also noted needs for additional measurements or modified measurement strategies. For example, adaptive scanning of severe weather would be valuable for probing winter storms or severe convection. Participants pointed out the value in integrating external observations with ARM measurements and with applying artificial intelligence (AI) to ARM observation analysis and they advocated for using model simulations to help optimize measurement strategies through Observing System Simulation Experiments (OSSEs). It was clear from the workshop that there are many ways that ARM observations can be used to mitigate energy and security concerns, but meeting participants were also asked to identify what they considered to be the greatest opportunities by ranking issues pertaining to the three workshop questions. This was accomplished through a survey administered to participants between the two virtual sessions. The highest-priority phenomena identified were winter storms, severe convection, and arctic processes. Discussion in the second session, therefore, focused primarily on these three areas, which were most fully developed in exploring ARM opportunities. Nevertheless, it was also clear that ARM has opportunities to contribute to all the identified topics. This report describes the workshop, including input from discussion and white papers (Sections 2 and 3) and a list of priority recommendations (section 4). Many other ideas for ARM contributions are discussed in individual white papers (Appendix D).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

LDM-151: Data Management Science Pipelines Design

The LSST Science Requirements Document (the LSST SRD) specifies a set of data product guidelines, designed to support science goals envisioned to be enabled by the LSST observing program. Following these guidelines, the details of these data products have been described in the LSST Data Products Definition Document (DPDD), and captured in a formal flow-down from the SRD via the LSST System Requirements (LSR), Observatory System Specifications (OSS), to the Data Management System Requirements (DMSR). The LSST Data Management subsystem's responsibilities include the design, implementation, deployment and execution of software pipelines necessary to generate these data products. This document describes the design of the scientific aspects of those pipelines.

79 ASTRONOMY AND ASTROPHYSICS↗

LSE-61: Rubin Observatory Data Management System (DMS) Requirements

This document contains the top-level requirements for the Data Management subsystem of the LSST, when combined with the Data Management-related requirements in the LSST System Requirements (LSR, LSE-29) and Observatory System Specifications (OSS, LSE-30).

79 ASTRONOMY AND ASTROPHYSICS↗

Environmental statement for National Aeronautics and Space Administration, Office of Space Science, launch vehicle and propulsion programs

NASA OSS Launch Vehicle and Propulsion Programs are responsible for the launch of approximately 20 automated science and applications spacecraft per year. These launches are for NASA programs and those of other U. S. government agencies, private organizations, such as the Comsat Corporation, foreign countries, and international organizations. Launches occur from Cape Kennedy, Florida; Vandenberg Air Force Base, California; Wallops Island, Virginia; and the San Marco Platform in the Indian Ocean off Kenya. Spacecraft launched by this program contribute in a variety of ways to the control of and betterment of the environment. Environmental effects caused by the launch vehicles are limited in extent, duration, and intensity and are considered insignificant.

Source record↗

Supplement to the December 1974 Space Investigation Documentation System (SIDS) report

A listing and brief description of spacecraft and experiments designed to update the December 1974 Space Investigations Documentation System (SIDS) report to March 31, 1975 was presented. The information is given in two sections. In the first, spacecraft and experiment descriptions are sorted by spacecraft common name. Within each spacecraft lising, experiments are sorted by the principal investigator's or team leader's last name. Each spacecraft entry heading contains the spacecraft common name, alternate names, NSSDC ID code, last reported state of the spacecraft, actual or planned launch date, weight, launch site and vehicle, sponsor, orbit parameters, personnel. Each experiment entry heading contains the experiment name, NSSDC ID code, last reported status, the Office of Space Science (OSS) division, the relevant SIDS disciplines, personnel. In the second, all spacecraft and experiment names described in the previous section and in the December 1974 report are sorted out.

Source record↗

Atomic nitrogen measurements in the upper atmosphere

The open-source neutral mass spectrometer (OSS) on the Atmosphere Explorer-C satellite (AE-C) measures the neutral constituents of the upper atmosphere. It has been found that atomic nitrogen densities can be determined at altitudes above 380 km. Most of the nitrogen atoms combine with oxygen adsorbed on the walls of the ion source to form NO. The measured net peaks at 14 amu and 30 amu show the scale height expected for atomic nitrogen; both peaks have a pronounced diurnal variation. Absolute number densities at 400 km are computed for a time period between February and April 1974 when measurements were taken in the northern hemisphere. Minimum and maximum densities of atomic nitrogen occur between 4 and 6 hr LST in the morning and around 16 hr LST in the afternoon, respectively. At 400 km, the minimum particle density is 100,000/cu cm and the maximum density 1.5 million/cu cm. In contrast to the response of N2 to geomagnetic activity, atomic N shows no appreciable effect.

Mauersberger, K.↗

Vehicle systems and payload requirements evaluation

Techniques developed for identifying launch vehicle system requirements for NASA automated space missions are discussed. Emphasis is placed on development of computer programs and investigation of astrionics for OSS missions and Scout. The Earth Orbit Mission Program - 1 which performs linear error analysis of launch vehicle dispersions for both vehicle and navigation system factors is described along with the Interactive Graphic Orbit Selection program which allows the user to select orbits which satisfy mission requirements and to evaluate the necessary injection accuracy.

Rea, F. G.↗

A direct measurement of the winter helium bulge

In late December 1975, the orbital configuration of the Atmosphere Explorer-D satellite made possible the measurement of the winter helium bulge within a single perigee pass. Shortly after the winter solstice, the perigee of the polar-orbiting AE-D satellite crossed the equator, at which time descending and ascending portions of the orbit stretched symmetrically over the Southern and Northern Hemispheres. The open-source neutral mass spectrometer (OSS) on board AE-D measured helium densities between the perigee (about 150 km) and altitudes of 650 km. During the time the perigee was at the equator, altitudes above approximately 550 km were located north and south at latitudes greater than 50-deg. Helium showed, in the winter hemisphere, densities that were a factor of 20 higher than at corresponding altitudes and latitudes in the Southern (summer) Hemisphere. Absolute densities of helium agree well with previous measurements.

Mauersberger, K.↗

Determination of exospheric neutral gas temperatures

The Atmosphere Explorer satellites (AE-C, -D, and -E) were initially placed into highly elliptical orbits with perigees around 140 km and apogees of 4000 km. As a result of such an orbital geometry, measurements of neutral constituents at high altitudes represent mainly vertical changes in densities. The influence of horizontal density gradients on measurements above 400 km is small. Under geomagnetically quiet conditions, the density profiles can be used to derive scale-height temperatures of the exosphere. The open-source neutral mass spectrometer (OSS) flown on all three AE-satellites measured neutral constituents such as N2, O, and N well above 400 km. The temperatures derived from scale heights show a good agreement among the constituents and the expected close correlation with the F10.7-cm solar flux. Satellites with highly elliptical orbits provide the opportunity to measure simultaneously both densities and temperatures.

Mauersberger, K.↗

Empirical model of atomic nitrogen in the upper thermosphere

Atomic nitrogen number densities in the upper thermosphere measured by the open source neutral mass spectrometer (OSS) on Atmosphere Explorer-C during 1974 and part of 1975 have been used to construct a global empirical model at an altitude of 375 km based on a spherical harmonic expansion. The most evident features of the model are large diurnal and seasonal variations of atomic nitrogen and only a moderate and latitude-dependent density increase during periods of geomagnetic activity. Maximum and minimum N number densities at 375 km for periods of low solar activity are 3.6 x 10 to the 6th/cu cm at 1500 LST (local solar time) and low latitude in the summer hemisphere and 1.5 x 10 to the 5th/cu cm at 0200 LST at mid-latitudes in the winter hemisphere.

Engebretson, M. J.↗

Mass spectrometric measurement of thermospheric wind

The open source neutral mass spectrometer (OSS) on the Atmosphere Explorer C satellite was periodically operated in an experimental 'fly-through' mode. When the satellite is spinning, the signal from this mode displays a sharp maximum that occurs when the instrument source faces directly into the oncoming gas. Thus the location of this maximum is sensitive to neutral wind components in the spin plane. Twenty-two spinning fly-through orbits were analyzed to determine vertical wind magnitudes in the altitude range 160-250 km. Large (up to 65 m/s) magnitudes were detected in the early morning sector of the auroral zone.

Knutson, J. R.↗

Tables of thermospheric temperature, density and composition derived from satellite and ground based measurements. Volume 1: Ap=4

The tables contain the neutral temperature, neutral densities for N2, O2, O, Ar, He and H, mean molecular weight, and total mass density as predicted by the Mass Spectrometer and Incoherent Scatter empirical thermosphere model for selected altitudes, latitudes, local times, days and other geophysical conditions. The model is based on a least squares fit to density data from mass spectrometers on five satellites and temperature data from four incoherent scatter stations, providing coverage for most of solar sunspot cycle 20. Included in the model data base are longitudinally average N3, He, and O densities from the OGO-6 mass spectrometer longitudinally average N2, He, O and Ar densities from the AEROS-A (NATE) mass spectrometer the N2, He, O, and Ar densities from the San Marco 3 mass spectrometer the N2 densities from the AE-B mass spectrometer and the N2, He, O, and Ar densities from the AE-C (OSS, NACE, NATE) mass spectrometers. The O2 and H densities are inferred using ion mass spectrometer data from AE-C (BIMS). Neutral exospheric temperature data are included from Arecibo, St. Santin, Millstone Hill and Jicamarca.

Hedin, A. E.↗