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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Experimenting with the GMAO 4D Data Assimilation

The Global Modeling and Assimilation Office (GMAO) has been working to promote its prototype four-dimensional variational (4DVAR) system to a version that can be exercised at operationally desirable configurations. Beyond a general circulation model (GeM) and an analysis system, traditional 4DV AR requires availability of tangent linear (TL) and adjoint (AD) models of the corresponding GeM. The GMAO prototype 4DVAR uses the finite-volume-based GEOS GeM and the Grid-point Statistical Interpolation (GSI) system for the first two, and TL and AD models derived ITom an early version of the finite-volume hydrodynamics that is scientifically equivalent to the present GEOS nonlinear GeM but computationally rather outdated. Specifically, the TL and AD models hydrodynamics uses a simple (I-dimensional) latitudinal MPI domain decomposition, which has consequent low scalability and prevents the prototype 4DV AR ITom being used in realistic applications. In the near future, GMAO will be upgrading its operational GEOS GCM (and assimilation system) to use a cubed-sphere-based hydrodynamics. This versions of the dynamics scales to thousands of processes and has led to a decision to re-derive the TL and AD models for this more modern dynamics, thus taking advantage of a two-dimensional MPI decomposition and improved scalability properties. With the aid of the Transformation of Algorithms in FORTRAN (l'AF) automatic adjoint generation tool and some hand-coding, a version of the cubed-sphere-based TL and AD models, with a simplified vertical diffusion scheme, is now available, enabling multiple configurations of standard implementations of 4DV AR in GEOS. Concurrent to this development, collaboration with the National Centers for Environmental Prediction (NCEP) and the Earth System Research Laboratory (ESRL) has allowed GMAO to implement a hybrid-ensemble capability within the GEOS data assimilation system. Both 3Dand 4D-ensemble capabilities are presently available thus allowing GMAO to now evaluate the performance and benefit of various ensemble and variational assimilation strategies. This presentation will cover the most recent developments taking place at GMAO and show results from various comparisons from traditional techniques to more recent ensemble-based ones.

Todling, R.↗
NASA NTRSDate not supplied

TPSAS-NF1676L-14834-DND

A recent spin-off from flight deck adaptive automation research at NASA Langley Research Center is a biocybernetic invention referred to informally as MindShift. When using the MindShift technology, a person is able to play off-the-shelf Nintendo Wii games enhanced with biofeedback, which is used to improve self-regulation of physiological functioning. Therefore, the user experiences the challenge of regulating their physiological responses during gameplay in addition to the intended challenges presented in the video game. The research projects being conducted under the supervision of Dr. Alan Pope and Chad Stephens at NASA Langley Research Center examine the effects of interacting with the MindShift invention technology on subjects' self-regulation of heart rate and brainwave activity, performance in the games, performance on cognitive tasks, and subjective experience of effort (i.e., workload). The MindShift invention's effects are being compared to the effects of interacting with the games without the MindShift technology and to the effects of interacting with commercial-off-the-shelf (COTS) brain-computer interface (BCI) technology, specifically the Mattel Mind Flex and the Uncle Milton Star Wars Force Trainer. A 32-channel electroencephalograph system is used to record subjects' brainwave and electrocardiographic activity. The potential for biofeedback game system applications is wide-ranging - from a more engaging form of clinical biofeedback training to a new challenge for avid gamers. Consequently, research needs to be conducted to fully understand the effects that these new games have on a person's physiological and psychological functioning. Biocybernetic technology like MindShift developed from the idea that operators of critical systems such as aerospace systems could hone their stress management and attention skills in biofeedback-augmented leisure activities while off-the-job in order to positively affect their on-the-job performance. This human performance enhancement technology is applicable to skill training on manually controlled critical tasks, such as unmanned aerial vehicle teleoperation, thus enabling the training of cognitive skills to be concurrent with manual skills. Furthermore, this type of technology can apply to medical and clinical uses of biofeedback by serving as an additional form of clinical biofeedback training that may be particularly useful for those with ADHD.

Brittany N Neilson↗
DOE OSTI2022

Predicting resistive wall mode stability in NSTX through balanced random forests and counterfactual explanations

Abstract Recent progress in the disruption event characterization and forecasting framework has shown that machine learning guided by physics theory can be easily implemented as a supporting tool for fast computations of ideal stability properties of spherical tokamak plasmas. In order to extend that idea, a customized random forest (RF) classifier that takes into account imbalances in the training data is hereby employed to predict resistive wall mode (RWM) stability for a set of high beta discharges from the NSTX spherical tokamak. More specifically, with this approach each tree in the forest is trained on samples that are balanced via a user-defined over/under-sampler. The proposed approach outperforms classical cost-sensitive methods for the problem at hand, in particular when used in conjunction with a random under-sampler, while also resulting in a threefold reduction in the training time. In order to further understand the model’s decisions, a diverse set of counterfactual explanations based on determinantal point processes (DPP) is generated and evaluated. Via the use of DPP, the underlying RF model infers that the presence of hypothetical magnetohydrodynamic activity would have prevented the RWM from concurrently going unstable, which is a counterfactual that is indeed expected by prior physics knowledge. Given that this result emerges from the data-driven RF classifier and the use of counterfactuals without hand-crafted embedding of prior physics intuition, it motivates the usage of counterfactuals to simulate real-time control by generating the β N levels that would have kept the RWM stable for a set of unstable discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2002

Analysis and Testing of Mobile Wireless Networks

Wireless networks are being used to connect mobile computing elements in more applications as the technology matures. There are now many products (such as 802.11 and 802.11b) which ran in the ISM frequency band and comply with wireless network standards. They are being used increasingly to link mobile Intranet into Wired networks. Standard methods of analyzing and testing their performance and compatibility are needed to determine the limits of the technology. This paper presents analytical and experimental methods of determining network throughput, range and coverage, and interference sources. Both radio frequency (BE) domain and network domain analysis have been applied to determine wireless network throughput and range in the outdoor environment- Comparison of field test data taken under optimal conditions, with performance predicted from RF analysis, yielded quantitative results applicable to future designs. Layering multiple wireless network- sooners can increase performance. Wireless network components can be set to different radio frequency-hopping sequences or spreading functions, allowing more than one sooner to coexist. Therefore, we ran multiple 802.11-compliant systems concurrently in the same geographical area to determine interference effects and scalability, The results can be used to design of more robust networks which have multiple layers of wireless data communication paths and provide increased throughput overall.

Alena, Richard↗
DOE OSTI2026

Custom surface reflectance, shade mask, and equivalent water thickness maps for the Colorado Headwaters Ecological Spectroscopy Study (2025)

This dataset contains land surface reflectance estimates and additional derived products generated from NEON Imaging Spectrometer (NIS) data collected in the Upper Gunnison river basin during June and July of 2025. Data was collected over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). These products were derived from radiance and LiDAR data collected by the NEON Airborne Observation Platform (AOP) campaign funded by the Colorado Headwaters Ecological Spectroscopy Study (CHESS) (doi:10.15485/3017965). Products include per-pixel surface reflectance (rfl) and reflectance uncertainty (rfl_unc), observational data (obs), canopy equivalent water thickness (ewt), and shade masks. Atmospheric correction was performed per flightline using the ISOFIT (Imaging Spectrometer Optimal FITting) optimal estimation framework to estimate surface reflectance and the associated per-band reflectance uncertainty. Reflectance retrievals achieved a mean absolute error of 1.5% across diverse validation surfaces (see validation report.pdf). Equivalent water thickness was calculated from surface reflectance using the Beer–Lambert absorption of liquid water. Shade masks were generated based on the geometry between the sun angle, ground surface, and sensor at the time of flight. Data products are provided per-flightline and as mosaics for each domain. Flightline data products are provided as ENVI-formatted binary files (rfl, rfl_unc, ewt) and GeoTIFFs (shade). Reflectance and uncertainty mosaics are provided as tiled NetCDFs, while all other mosaicked products are provided as cloud-optimized GeoTIFFs. These formats are supported by common geospatial software (e.g., QGIS, ArcGIS, ENVI) and programmatic libraries in Python (e.g., rasterio, xarray, spectral, netCDF4) and R (e.g., terra, ncdf4). Processing workflows were designed to be equivalent to those used to generate the 2018 CHESS campaign airborne imaging spectroscopy data products (doi:10.15485/3013527). All outputs were co-registered to a common spatial grid to support time series analyses. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgment: Data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). Computational research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (80NM0018D0004) and was funded by EMIT Extended Mission Phase E Science.

2018 NEON and 2025 CHESS Campaigns↗
NASA NTRS1994

Characterizing parallel file-access patterns on a large-scale multiprocessor

Rapid increases in the computational speeds of multiprocessors have not been matched by corresponding performance enhancements in the I/O subsystem. To satisfy the large and growing I/O requirements of some parallel scientific applications, we need parallel file systems that can provide high-bandwidth and high-volume data transfer between the I/O subsystem and thousands of processors. Design of such high-performance parallel file systems depends on a thorough grasp of the expected workload. So far there have been no comprehensive usage studies of multiprocessor file systems. Our CHARISMA project intends to fill this void. The first results from our study involve an iPSC/860 at NASA Ames. This paper presents results from a different platform, the CM-5 at the National Center for Supercomputing Applications. The CHARISMA studies are unique because we collect information about every individual read and write request and about the entire mix of applications running on the machines. The results of our trace analysis lead to recommendations for parallel file system design. First the file system should support efficient concurrent access to many files, and I/O requests from many jobs under varying load conditions. Second, it must efficiently manage large files kept open for long periods. Third, it should expect to see small requests predominantly sequential access patterns, application-wide synchronous access, no concurrent file-sharing between jobs appreciable byte and block sharing between processes within jobs, and strong interprocess locality. Finally, the trace data suggest that node-level write caches and collective I/O request interfaces may be useful in certain environments.

Purakayastha, Apratim↗
NASA NTRS2015

Development of a Climatology of Vertically Complete Wind Profiles from Doppler Radar Wind Profiler Systems

This paper describes in detail the QC and splicing methodology for KSC's 50- and 915-MHz DRWP measurements that generates an extensive archive of vertically complete profiles from 0.20-18.45 km. The concurrent POR from each archive extends from April 2000 to December 2009. MSFC NE applies separate but similar QC processes to each of the 50- and 915-MHz DRWP archives. DRWP literature and data examination provide the basis for developing and applying the automated and manual QC processes on both archives. Depending on the month, the QC'ed 50- and 915-MHz DRWP archives retain 52-65% and 16-30% of the possible data, respectively. The 50- and 915-MHz DRWP QC archives retain 84-91% and 85-95%, respectively, of all the available data provided that data exist in the non- QC'ed archives. Next, MSFC NE applies an algorithm to splice concurrent measurements from both DRWP sources. Last, MSFC NE generates a composite profile from the (up to) five available spliced profiles to effectively characterize boundary layer winds and to utilize all possible 915-MHz DRWP measurements at each timestamp. During a given month, roughly 23,000-32,000 complete profiles exist from 0.25-18.45 km from the composite profiles' archive, and approximately 5,000- 27,000 complete profiles exist from an archive utilizing an individual 915-MHz DRWP. One can extract a variety of profile combinations (pairs, triplets, etc.) from this sample for a given application. The sample of vertically complete DRWP wind measurements not only gives launch vehicle customers greater confidence in loads and trajectory assessments versus using balloon output, but also provides flexibility to simulate different DOL situations across applicable altitudes. In addition to increasing sample size and providing more flexibility for DOL simulations in the vehicle design phase, the spliced DRWP database provides any upcoming launch vehicle program with the capability to utilize DRWP profiles on DOL to compute vehicle steering commands, provided the program applies the procedures that this report describes to new DRWP data on DOL. Decker et al. (2015) details how SLS is proposing to use DRWP data and splicing techniques on DOL. Although automation could enhance the current DOL 50-MHz DRWP QC process and could streamline any future DOL 915-MHz DRWP QC and splicing process, the DOL community would still require manual intervention to ensure that the vehicle only uses valid profiles. If a program desires to use high spatial resolution profiles, then the algorithm could randomly add high-frequency components to the DRWP profiles. The spliced DRWP database provides lots of flexibility in how one performs DOL simulations, and the algorithms that this report provides will assist the aerospace and atmospheric communities that are interested in utilizing the DRWP.

Barbre, Robert E., Jr.↗
DOE OSTI2020

Sodium Ion Expansion Power Block for Distributed CSP

The Sodium Ion Expansion Power Block for Distributed CSP was a three-plus-one-year effort under the Concentrating Solar Power: Advanced Projects Offering Low LCOE Opportunities (CSP: APOLLO) funding program within the U.S. Department of Energy Solar Energy Technologies Office. The primary objective of this project is to develop a dual-stage modular sodium thermal electrochemical converter (Na-TEC) heat engine power block, which can be potentially integrated with either a small-scale dish solar or large-scale heliostats and parabolic trough CSP. Na-TEC is a heat engine that generates electricity through the isothermal expansion of sodium ions. The Na-TEC is a closed system that can theoretically achieve conversion efficiencies above 45% when operating between thermal reservoirs at 1150 K and 550 K. However, thermal designs have confined previous single-stage devices to thermal efficiencies below 20%. To mitigate some of these limitations, we consider dividing the isothermal expansion into two stages; one at the evaporator temperature (1150 K) and another at an intermediate temperature (650 K –1050 K). This dual-stage Na-TEC takes advantage of regeneration and reheating, and could be amenable to better thermal management. In light of this, we first designed and developed a thermo-electrochemical model, and thermodynamically demonstrated how the dual-stage device can improve the efficiency by up to 8% points over the best performing single-stage device. We also established an application regime map for the single- and dual-stage Na-TEC in terms of the power density and the total thermal parasitic loss. Moreover, a thermal design of an axisymmetric dual-stage Na-TEC is developed to guide the scale-up and fabrication of sub-components of prototype module. A reduced-order finite-element model is used in conjunction with a Na-TEC thermodynamic model that was developed to determine the total parasitic heat loss of this dual-stage design. A number of simplifications are applied in the reduced-order model to decrease the computational time while maintaining acceptable accuracy. According to this analysis, a maximum efficiency of 29% and a maximum power output of 125 W can be achieved. Ultimately, we were able to demonstrate thermal efficiency improvements of the Na-TEC heat engine from 19% up to 40.3%, in a dual-stage (non-optimized) prototype module that we designed, fabricated, and tested with high temperature stage at 923 K. Furthermore, a cost-performance analysis for this improved dual-stage design was carried out for distributed-CSP systems. A high-level techno-economic analysis (TEA) explores four scenarios where a Na-TEC is used as the heat engine for a distributed-CSP system. Overnight capital cost and levelized cost of electricity (LCOE) are estimated for a system lifetime of 30 years, revealing that overnight capital costs in a range from $3.57 to $17.71 per We are feasible, which equate to LCOEs from 6.9 to 17.2 cents/kWh e -1 . This analysis makes a significant contribution by concurrently quantifying the efficiency and unit costs for a range of multistage configurations, and demonstrating that a Na-TEC may be a promising alternative to Stirling engines for distributed-CSP systems at residential scale of 1–5 kW e .

14 SOLAR ENERGY↗
DOE OSTI2020

Reducing Communication in Graph Neural Network Training

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus higher communication costs compared to dense matrices, making GNNs harder to scale to high concurrencies than convolutional or fully-connected neural networks. Here, we introduce a family of parallel algorithms for training GNNs and show that they can asymptotically reduce communication compared to previous parallel GNN training methods. We implement these algorithms, which are based on 1D, 1. 5D, 2D, and 3D sparse-dense matrix multiplication, using torch.distributed on GPU-equipped clusters. Our algorithms optimize communication across the full GNN training pipeline. We train GNNs on over a hundred GPUs on multiple datasets, including a protein network with over a billion edges.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Code modernization strategies for short-range non-bonded molecular dynamics simulations

Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase in parallelism are molecular dynamics simulations. In this paper, we describe our efforts at modernizing the ESPResSo++ simulation package for molecular dynamics by restructuring its particle data layout for efficient memory accesses and applying vectorization techniques to benefit the calculation of short-range non-bonded forces, which results in an overall three times speedup and serves as a baseline for further optimizations. We also implement fine-grained parallelism for multi-core CPUs through HPX, a C++ runtime system which uses lightweight threads and an asynchronous many-task approach to maximize concurrency. Our goal is to evaluate the performance of an HPX-based approach compared to the bulk-synchronous MPI-based implementation. This requires the introduction of an additional layer to the domain decomposition scheme that defines the task granularity. On spatially inhomogeneous systems, which impose a corresponding load-imbalance in traditional MPI-based approaches, we demonstrate that by choosing an optimal task size, the efficient work-stealing mechanisms of HPX can overcome the overhead of communication resulting in an overall 1.4 times speedup compared to the baseline MPI version.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Developmental problems and their solution for the Space Shuttle main engine alternate liquid oxygen high-pressure turbopump: Anomaly or failure investigation the key

The Space Shuttle main engine (SSME) alternate high-pressure liquid oxygen pump experienced synchronous vibration and ball bearing life problems that were program threatening. The success of the program hinged on the ability to solve these development problems. The design and solutions to these problems are engirded in the lessons learned and experiences from prior programs, technology programs, and the ability to properly conduct failure or anomaly investigations. The failure investigation determines the problem cause and is the basis for recommending design solutions. For a complex problem, a comprehensive solution requires that formal investigation procedures be used, including fault trees, resolution logic, and action items worked through a concurrent engineering-multidiscipline team. The normal tendency to use an intuitive, cut-and-try approach will usually prove to be costly, both in money and time and will reach a less than optimum, poorly understood answer. The SSME alternate high-pressure oxidizer turbopump development has had two complex problems critical to program success: (1) high synchronous vibrations and (2) excessive ball bearing wear. This paper will use these two problems as examples of this formal failure investigation approach. The results of the team's investigation provides insight into the complexity of the turbomachinery technical discipline interacting/sensitivities and the fine balance of competing investigations required to solve problems and guarantee program success. It is very important to the solution process that maximum use be made of the resources that both the contractor and Government can bring to the problem in a supporting and noncompeting way. There is no place for the not-invented-here attitude. The resources include, but are not limited to: (1) specially skilled professionals; (2) supporting technologies; (3) computational codes and capabilities; and (4) test and manufacturing facilities.

Ryan, R.↗
DOE OSTI2021

Evaluation of Apex Alpha with LabWare-LIMS Data Reduction for Alpha Analyses

Savannah River Site's Environmental Bioassay Laboratory is migrating its laboratory information management system (LIMS) from SQL-LIMS to Oracle Labware-LIMS (LW-LIMS) systems to align with the Department of Energy's cyber security policies. Concurrently with the LIMS upgrade, the current VMS based Alpha Measurement System (AMS) software is being replaced with Apex Alpha software to reduce other cyber vulnerabilities, streamline procedural production aspects of data handling, and improve outdated reduction processes to align the program with requirements outlined in ANSI N13.30. The primary technical changes which are being implemented are: - Reagent contributions are added in data reduction, - Moving average background equivalent activity are used for gross signal corrections, - Measured uncertainty of both are included in the decision level and propagated uncertainty, - Tracer levels are increased for precision and accuracy improvements, and - Reports are modified for compliance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2004

Experimentally Determined Plasma Parameters in a 30 cm Ion Engine

Single planar Langmuir probes and fiber optic probes are used to concurrently measure the plasma properties and neutral density variation in a 30cm diameter ion engine discharge chamber, from the immediate vicinity of the keeper to the near grid plasma region. The fiber optic probe consists of a collimated optical fiber recessed into a double bore ceramic tube fitted with a stainless steel light-limiting window. The optical fiber probe is used to measure the emission intensity of excited neutral xenon for a small volume of plasma, at various radial and axial locations. The single Langmuir probes, are used to generate current-voltage characteristics at a total of 140 spatial locations inside the discharge chamber. Assuming a maxwellian distribution for the electron population, the Langmuir probe traces provide spatially resolved measurements of plasma potential, electron temperature, and plasma density. Data reduction for the NSTAR TH8 and TH15 throttle points indicates an electron temperature range of 1 to 7.9 eV and an electron density range of 4e10 to le13 cm(sup -3), throughout the discharge chamber, consistent with the results in the literature. Plasma potential estimates, computed from the first derivative of the probe characteristic, indicate potential from 0.5V to 11V above the discharge voltage along the thruster centerline. These values are believed to be excessively high due to the sampling of the primary electron population along the thruster centerline. Relative neutral density profiles are also obtained with a fiber optic probe sampling photon flux from the 823.1 nm excited to ground state transition. Plasma parameter measurements and neutral density profiles will be presented as a function of probe location and engine discharge conditions. A discussion of the measured electron energy distribution function will also be presented, with regards to variation from pure maxwellian. It has been found that there is a distinct primary population found along the thruster centerline, which causes estimates of electron temperature, electron density, and plasma potential, to err on the high side, due this energetic population. Computation of the energy distribution fimction of the plasma clearly indicates the presence of primaries, whose presence become less obvious with radial distance from the main discharge plume.

near grid plasma↗
DOE OSTI2025

Efficient Self-Sensitized Photochemical CO 2 Reduction Using [Re(bpy 2+ )(CO) 3 (I)] 2+ and [Re(bpy 2+ )(CO) 3 (CH 3 CN)] 3+ Photocatalysts with Pendent Ammonium Cations

Rhenium(I) tricarbonyl complexes fac-[Re(bpy)(CO) 3 (L)]n + are the classical examples of self-sensitized photocatalysts capable of the dual roles of light absorption and catalysis. Here, in this work, a series of dicationic halido or tricationic solvento complexes fac-[Re(bpy 2+ )(CO) 3 X] n+ (PF 6 ) n (where X = Cl - or I - (n = 2), or CH 3 CN (n = 3) and bpy 2+ is bipyridine modified by two -CH 2 -(NMe3) + tetra-alkylammonium cations) have been investigated as self-sensitized and sensitized CO 2 reduction photocatalysts. Four structural isomers differing in the cation position have been tested in N,Nʹ-dimethylacetamide solvent (DMA) using 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzimidazole (BIH) as the electron donor, and the position of the cationic pendants has a significant impact on the catalyst turnover number and quantum efficiency (ϕ). Up to 455 self-sensitized turnovers of CO and a high photon efficiency (ϕ CO ) of 22% have been achieved. Time-resolved infrared spectroscopy and theoretical calculations were used to characterize the catalytic cycle including the ligand exchange between one-electron reduced (OER) halido and solvento species as well as the binding of CO 2 to the putative two-electron reduced (TER) species. The CO 2 -reactive TER catalyst was formed by disproportionation or intramolecular electron transfer between two forms of the OER catalyst as indicated by the formation of the fully oxidized catalyst concurrent with CO 2 binding. When [Ru(bpy) 3 ] 2+ was used as a sensitizer, catalyst durability improved, and the selectivity toward formate increased as high as 3.3:1 over CO (total TON = 1370) due to acidification of the reaction, which promotes formation of the hydride intermediate, as BIH was consumed and deprotonated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Superlattice reflection signatures of the insulator–metal transition in V 3 O 5 thin films

Nanoelectronic systems that are inspired by the brain are increasingly looking to insulator–metal transition (IMT) materials as they can mimic the response characteristics of neurons to temperature changes so that these can be used in robotic and computational applications. V 3 O 5 has an insulator–metal transition at ∼430 or ∼80 K higher than VO 2 and provides a unique high-temperature opportunity for these types of applications. Here, in this work, we track the structural evolution of V 3 O 5 thin films across the IMT through conventional selected-area electron diffraction (SAED) and four-dimensional scanning TEM (4D-STEM), correlated with temperature-dependent resistance measurements. SAED patterns show reversible evidence of superlattice reflections associated with the IMT—present below T IMT and absent above it—consistent with the accompanying drop in resistance. At room temperature, nanobeam electron diffraction patterns further reveal three local configurations: (i) type I regions with clean patterns lacking superlattice reflections and spot splitting; (ii) type II regions exhibiting rows of superlattice reflections and split spots indicative of crystallographic variants; and (iii) type III regions with negligible superlattice reflections but larger spot splitting suggestive of overlapping domains of insulating and conducting phases likely driven by local lattice distortions. Upon heating, the superlattice reflections disappear between 413 and 453 K, concurrent with the resistance drop at T IMT , consistent with the emergence of a conducting phase. The overall diffraction geometry remains essentially unchanged up to 573 K, implying that relative domain orientations persist through the transition. These observations reveal nanoscale structural heterogeneity in V 3 O 5 thin films across the IMT and inform operation in regimes where mixed-phase textures are expected. A plausible indexing framework rationalizing the observed geometries is presented in the Discussion section, alongside its limitations and alternative interpretations.

25 ENERGY STORAGE↗
NASA NTRS2012

Multiplexer/Demultiplexer Loading Tool (MDMLT)

The purpose of the MDMLT is to improve the reliability and speed of loading multiplexers/demultiplexers (MDMs) in the Software Development and Integration Laboratory (SDIL) by automating the configuration management (CM) of the loads in the MDMs, automating the loading procedure, and providing the capability to load multiple or all MDMs concurrently. This loading may be accomplished in parallel, or single MDMs (remote). The MDMLT is a Web-based tool that is capable of loading the entire International Space Station (ISS) MDM configuration in parallel. It is able to load Flight Equivalent Units (FEUs), enhanced, standard, and prototype MDMs as well as both EEPROM (Electrically Erasable Programmable Read-Only Memory) and SSMMU (Solid State Mass Memory Unit) (MASS Memory). This software has extensive configuration management to track loading history, and the performance improvement means of loading the entire ISS MDM configuration of 49 MDMs in approximately 30 minutes, as opposed to 36 hours, which is what it took previously utilizing the flight method of S-Band uplink. The laptop version recently added to the MDMLT suite allows remote lab loading with the CM of information entered into a common database when it is reconnected to the network. This allows the program to reconfigure the test rigs quickly between shifts, allowing the lab to support a variety of onboard configurations during a single day, based on upcoming or current missions. The MDMLT Computer Software Configuration Item (CSCI) supports a Web-based command and control interface to the user. An interface to the SDIL File Transfer Protocol (FTP) server is supported to import Integrated Flight Loads (IFLs) and Internal Product Release Notes (IPRNs) into the database. An interface to the Monitor and Control System (MCS) is supported to control the power state, and to enable or disable the debug port of the MDMs to be loaded. Two direct interfaces to the MDM are supported: a serial interface (debug port) to receive MDM memory dump data and the calculated checksum, and the Small Computer System Interface (SCSI) to transfer load files to MDMs with hard disks. File transfer from the MDM Loading Tool to EEPROM within the MDM is performed via the MILSTD- 1553 bus, making use of the Real- Time Input/Output Processors (RTIOP) when using the rig-based MDMLT, and via a bus box when using the laptop MDMLT. The bus box is a cost-effective alternative to PC-1553 cards for the laptop. It is noted that this system can be modified and adapted to any avionic laboratory for spacecraft computer loading, ship avionics, or aircraft avionics where multiple configurations and strong configuration management of software/firmware loads are required.

Brewer, Lenox Allen↗
DOE OSTI2022

Plutonium Hybrid Materials: A Platform to Explore Assembly and Metal–Ligand Bonding

In this work, we report the synthesis of five new hybrid materials containing the [PuCl 6 ] 2- anion and charge balancing, non-covalent interaction donating 4-X-pyridinium (X = H, Cl, Br, I) cations. Single crystals of the title compounds were grown and harvested from acidic, chloride-rich, aqueous media and their structures were determined via X-ray diffraction. Compounds 1-4, (4XPyH) 2 [PuCl 6 ] and 5, (4IPyH) 4 [PuCl 6 ] · 2Cl, exhibit two distinct sheet-like structure types. Structurally relevant non-covalent interactions were tabulated from crystallographic data and verified computationally using electrostatic surface potential maps and the quantum theory of atoms in molecules (QTAIM) approach. The strength of the hydrogen and halogen bonds was quantified using Kohn-Sham density functional theory and a hierarchy of acceptor-donor pairings established. In turn, the PuIV-Cl bonds were studied using the QTAIM and natural localized molecular orbital (NLMO) approaches to delineate the underlying bond mechanism and hybrid atomic orbital contributions therein. Energy decomposition (ED) and natural ED analyses were also explored to probe the bond mechanism and, more broadly, explore the efficacy of these techniques in studying these anionic systems. The results of the PuIV-Cl bond analyses were compared across composition via analogous treatments of previously reported [PuO 2 Cl 4 ] 2- and [PuCl 3 (H 2 O) 5 ] molecular units. In summary, our study indicates that the Pu-Cl bonds are predominately ionic, yet exhibit small varying degrees of covalent character that increase from [PuCl 3 (H 2 O) 5 ], [PuO 2 Cl 4 ] 2- , to [PuCl 6 ] 2- , while the participation of the Pu based s/d and f orbitals concurrently decrease and increase, respectively.

transuranic↗
NASA NTRS2001

Creating Web-Based Scientific Applications Using Java Servlets

There are many advantages to developing web-based scientific applications. Any number of people can access the application concurrently. The application can be accessed from a remote location. The application becomes essentially platform-independent because it can be run from any machine that has internet access and can run a web browser. Maintenance and upgrades to the application are simplified since only one copy of the application exists in a centralized location. This paper details the creation of web-based applications using Java servlets. Java is a powerful, versatile programming language that is well suited to developing web-based programs. A Java servlet provides the interface between the central server and the remote client machines. The servlet accepts input data from the client, runs the application on the server, and sends the output back to the client machine. The type of servlet that supports the HTTP protocol will be discussed in depth. Among the topics the paper will discuss are how to write an http servlet, how the servlet can run applications written in Java and other languages, and how to set up a Java web server. The entire process will be demonstrated by building a web-based application to compute stagnation point heat transfer.

Palmer, Grant↗