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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 73 records · Page 4

Improved disparity map analysis through the fusion of monocular image segmentations

The focus is to examine how estimates of three dimensional scene structure, as encoded in a scene disparity map, can be improved by the analysis of the original monocular imagery. The utilization of surface illumination information is provided by the segmentation of the monocular image into fine surface patches of nearly homogeneous intensity to remove mismatches generated during stereo matching. These patches are used to guide a statistical analysis of the disparity map based on the assumption that such patches correspond closely with physical surfaces in the scene. Such a technique is quite independent of whether the initial disparity map was generated by automated area-based or feature-based stereo matching. Stereo analysis results are presented on a complex urban scene containing various man-made and natural features. This scene contains a variety of problems including low building height with respect to the stereo baseline, buildings and roads in complex terrain, and highly textured buildings and terrain. The improvements are demonstrated due to monocular fusion with a set of different region-based image segmentations. The generality of this approach to stereo analysis and its utility in the development of general three dimensional scene interpretation systems are also discussed.

Perlant, Frederic P.↗

A CCD star sensor for fine pointing control of spaceborne telescopes

A star sensor for measuring small pointing errors in astronomical telescopes is described. By using solid state imaging arrays (CCDs) to track guide star images, this design realizes a number of performance advantages relative to more conventional approaches. Specific topics include star image position measurement, CCD sensitivity including color effects, and performance simulation results. Experimental results for CCDs operating at temperatures below 100 K are also summarized. Two telescope configurations are considered to illustrate the range of possible applications of this technology: (1) a large orbiting telescope for general astronomy requiring a multi-CCD sensor, and (2) a Space Shuttle-based infrared observatory operating at 20 K. Although the requirements and configurations of these applications are widely different, the CCD approach offers substantial advantages to both systems.

Stanton, R. H.↗

Stabilization of Dinuclear Rhodium and Iridium Clusters on Layered Titanate and Niobate Supports

Atomically dispersed organometallic clusters can provide well-defined nuclearity of active sites for both fundamental studies as well as new regimes of activity and selectivity in chemical transformations. More recently, dinuclear clusters adsorbed onto solid surfaces have shown novel catalytic properties resulting from the synergistic effect of two metal centers to anchor different reactant species. Difficulty in synthesizing, stabilizing, and characterizing isolated atoms and clusters without agglomeration challenges allocating catalytic performance to atomic structure. Here, we explore the stability of dinuclear rhodium and iridium clusters adsorbed onto layered titanate and niobate supports using molecular precursors. Both systems maintain their nuclearity when Statistical analysis of HAADF-STEM images revealed that rhodium and iridium dimers had mean cluster-to-cluster distances very similar to what is expected from a random distribution of atoms over a large area, indicating that they are dispersed without aggregation. The stability of dinuclear rhodium clusters supported on titanate nanosheets was also investigated by X-ray absorption fine structure (EXAFS), DRIFTS, and first-principles calculations. Both X-ray absorption spectroscopy and HAADF-STEM simulations, guided by density functional theory (DFT)-optimized structure models, suggested that rhodium dimers adsorb onto the nanosheets in an end-on binding mode that is stable up to 100 degrees C under reducing conditions. Finally, this study highlights that crystalline nanosheets derived from layered metal oxides can be used as model supports to selectively stabilize dinuclear clusters, which could have implications for heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessment of fine-tuned large language models for real-world chemistry and material science applications

The current generation of large language models (LLMs) has limited chemical knowledge. Recently, it has been shown that these LLMs can learn and predict chemical properties through fine-tuning. Using natural language to train machine learning models opens doors to a wider chemical audience, as field-specific featurization techniques can be omitted. In this work, we explore the potential and limitations of this approach. We studied the performance of fine-tuning three open-source LLMs (GPT-J-6B, Llama-3.1-8B, and Mistral-7B) for a range of different chemical questions. We benchmark their performances against “traditional” machine learning models and find that, in most cases, the fine-tuning approach is superior for a simple classification problem. Depending on the size of the dataset and the type of questions, we also successfully address more sophisticated problems. The most important conclusions of this work are that, for all datasets considered, their conversion into an LLM fine-tuning training set is straightforward and that fine-tuning with even relatively small datasets leads to predictive models. These results suggest that the systematic use of LLMs to guide experiments and simulations will be a powerful technique in any research study, significantly reducing unnecessary experiments or computations.

Van Herck, Joren↗

Precision Pointing for the Wide-Field Infrared Survey Telescope (WFIRST)

The Wide-Field Infrared Survey Telescope (WFIRST) mission, scheduled for a mid-2020's launch, is currently in its definition phase. The mission is designed to investigate essential questions in the areas of dark energy, exoplanets, and infrared astrophysics. WFIRST will use a 2.4-meter primary telescope (same size as the Hubble Space Telescope's primary mirror) and two instruments: the Wide Field Instrument (WFI) and the Coronagraph Instrument (CGI). In order to ad-dress the critical science requirements, the WFIRST mission will conduct large-scale surveys of the infrared sky, requiring both agility and precision pointing (11.6 milli-arcsec stability, 14 milli-arcsec jitter). This paper describes some of the challenges this mission profile presents to the GNC subsystem, and some of the design elements chosen to accommodate those challenges. The high-galactic-latitude survey is characterized by 3-minute observations separated by slews ranging from 0.025 deg to 0.8 deg. The need for observation efficiency drives the slew and settle process to be as rapid as possible. A description of the shaped slew profile chosen to minimize excitation of structural oscillation, and the handoff from star tracker-gyro control to fine guidance sensor control is detailed. Also presented is the fine guidance sensor (FGS), which is integral with the primary instrument (WFI). The FGS is capable of tracking up to 18 guide stars, enabling robust FGS acquisition and precision pointing. To avoid excitation of observatory structural jitter, reaction wheel speeds are operationally maintained within set limits. In addition, the wheel balance law is designed to maintain 1-Hz separation between the wheel speeds to avoid reinforcing jitter excitation at any particular frequency. The wheel balance law and operational implications are described. Finally, the candidate GNC hardware suite needed to meet the requirements of the mission is presented.

Stoneking, Eric↗

Precision Pointing for the Wide-Field Infrared Survey Telescope(WFIRST)

The Wide-Field Infrared Survey Telescope (WFIRST) mission, scheduled for a mid-2020's launch, is currently in its definition phase. The mission is designed to investigate essential questions in the areas of dark energy, exoplanets, and infrared astrophysics. WFIRST will use a 2.4-meter primary telescope (same size as the Hubble Space Telescope's primary mirror) and two instruments: the Wide Field Instrument (WFI) and the Coronagraph Instrument (CGI). In order to address the critical science requirements, the WFIRST mission will conduct large-scale surveys of the infrared sky, requiring both agility and precision pointing (11.6 milli-arcsec stability, 14 milli-arcsec jitter). This paper describes some of the challenges this mission profile presents to the Guidance, Navigation, and Control (GNC) subsystem, and some of the design elements chosen to accommodate those challenges. The high-galactic-latitude survey is characterized by 3-minute observations separated by slews ranging from 0.025 deg to 0.8 deg. The need for observation efficiency drives the slew and settle process to be as rapid as possible. A description of the shaped slew profile chosen to minimize excitation of structural oscillation, and the handoff from star tracker-gyro control to fine guidance sensor control is detailed. Also presented is the fine guidance sensor (FGS), which is integral with the primary instrument (WFI). The FGS is capable of tracking up to 18 guide stars, enabling robust FGS acquisition and precision pointing. To avoid excitation of observatory structural jitter, reaction wheel speeds are operationally maintained within set limits. In addition, the wheel balance law is designed to maintain 1-Hz separation between the wheel speeds to avoid reinforcing jitter excitation at any particular frequency. The wheel balance law and operational implications are described. Finally, the candidate GNC hardware suite needed to meet the requirements of the mission is presented.

Stoneking, Eric T.↗

Fault Detection and Correction for the Solar Dynamics Observatory Attitude Control System

The Solar Dynamics Observatory is an Explorer-class mission that will launch in early 2009. The spacecraft will operate in a geosynchronous orbit, sending data 24 hours a day to a devoted ground station in White Sands, New Mexico. It will carry a suite of instruments designed to observe the Sun in multiple wavelengths at unprecedented resolution. The Atmospheric Imaging Assembly includes four telescopes with focal plane CCDs that can image the full solar disk in four different visible wavelengths. The Extreme-ultraviolet Variability Experiment will collect time-correlated data on the activity of the Sun's corona. The Helioseismic and Magnetic Imager will enable study of pressure waves moving through the body of the Sun. The attitude control system on Solar Dynamics Observatory is responsible for four main phases of activity. The physical safety of the spacecraft after separation must be guaranteed. Fine attitude determination and control must be sufficient for instrument calibration maneuvers. The mission science mode requires 2-arcsecond control according to error signals provided by guide telescopes on the Atmospheric Imaging Assembly, one of the three instruments to be carried. Lastly, accurate execution of linear and angular momentum changes to the spacecraft must be provided for momentum management and orbit maintenance. In th~sp aper, single-fault tolerant fault detection and correction of the Solar Dynamics Observatory attitude control system is described. The attitude control hardware suite for the mission is catalogued, with special attention to redundancy at the hardware level. Four reaction wheels are used where any three are satisfactory. Four pairs of redundant thrusters are employed for orbit change maneuvers and momentum management. Three two-axis gyroscopes provide full redundancy for rate sensing. A digital Sun sensor and two autonomous star trackers provide two-out-of-three redundancy for fine attitude determination. The use of software to maximize chances of recovery from any hardware or software fault is detailed. A generic fault detection and correction software structure is used, allowing additions, deletions, and adjustments to fault detection and correction rules. This software structure is fed by in-line fault tests that are also able to take appropriate actions to avoid corruption of the data stream.

Starin, Scott R.↗

Science observations with the IUE using the one-gyro mode

The International Ultraviolet Explorer (IUE) attitude control system originally included an inertial reference package containing six gyroscopes for three axis stabilization. The science instrument includes a prime and redundant Field Error Sensor (FES) camera for target acquisition and offset guiding. Since launch, four of the six gyroscopes have failed. The current attitude control system utilizes the remaining two gyros and a Fine Sun Sensor (FSS) for three axis stabilization. When the next gyro fails, a new attitude control system will be uplinked which will rely on the remaining gyro and the FSS for general three axis stabilization. In addition to the FSS, the FES cameras will be required to assist in maintaining fine attitude control during target acquisition. This has required thoroughly determining the characteristics of the FES cameras and the spectrograph aperture plate as well as devising new target acquisition procedures. The results of this work are presented.

Imhoff, C.↗

Science observations with the IUE using the one-gyro mode

The International Ultraviolet Explorer (IUE) attitude control system originally included an inertial reference package containing six gyroscopes for three axis stabilization. The science instrument includes a prime and redundant Field Error Sensor (FES) camera for target acquisition and offset guiding. Since launch, four of the six gyroscopes have failed. The current attitude control system utilizes the remaining two gyros and a Fine Sun Sensor (FSS) for three axis stabilization. When the next gyro fails, a new attitude control system will be uplinked, which will relay on the remaining gyro and the FSS for general three axis stabilization. In addition to the FSS, the FES cameras will be required to assist in maintaining fine attitude control during target acquisition. This has required thoroughly determining the characteristics of the FES cameras and the spectrograph aperture plate as well as devising new target acquisition procedures. The results of this work are presented.

Imhoff, C.↗

A sub-arcsecond Pointing stability fine stage for a high altitude balloon platform

High-altitude balloons (HABs) are platforms for collecting astrophysical and planetary science data that offer a number of advantages compared to conventional groundbased or space-based systems. However, they also pose a set of new environmental challenges that must be addressed in order to offer a viable alternative to ground- or space- based assets. In particular, maintaining science-quality pointing stability is a critical challenge for HAB platforms. For these missions, dynamic errors must be limited to a fraction of the observation wavelength, so as the wavelength becomes smaller, it becomes more difficult to meet the needed performance. As a result, there are very few existing pointing stabilization solutions that use visible-spectrum guide stars, despite their relatively wide distribution across the sky. This paper describes the results achieved with the STABLE (Subarcsecond Telescope And BaLloon Experiment) project whose goal is to provide the fine pointing stage for a balloonborne platform observing in the visible wavelength.

Porter, Michael↗

Development of ASTM International D8405—Standard Test Method for Evaluating PM 2.5 Sensors or Sensor Systems Used in Indoor Applications

Sensors and sensor systems for monitoring fine particles with aerodynamic diameters smaller than 2.5 µm can provide real-time feedback on indoor air quality and thus can help guide actions to manage indoor air pollutant concentrations. Standardized verification of the performance and accuracy of sensors and sensor systems is crucial for predicting the efficacy of such monitoring. A new ASTM International standard test method (ASTM D8405) was created for this need and is the most exacting laboratory protocol published to date for evaluating indoor air quality sensors and sensor systems measuring particles smaller than 2.5 µm in diameter. ASTM D8405 subjects sensors and sensor systems to five test phases: (1) an initial particle concentration ramp; (2) exposure to various temperature and humidity conditions; (3) exposure to interfering particles; (4) temperature cycling; and (5) a final particle concentration ramp to assess drift. This paper discusses the development of the standard test method, key aspects of the testing process, example evaluation results, and a comparison of this standard test method against peer evaluation protocols.

47 OTHER INSTRUMENTATION↗

Non-bonding interaction of dual atom catalysts for enhanced oxygen reduction reaction

Here, we demonstrate the design of graphene-supported dual atom catalysts (DACs) for the four-electron oxygen reduction reaction (ORR), by utilizing the non-bonding interaction of counterpart metals (M) that synergistically tune the electronic properties and catalytic activity of the Fe active site in FeMN 6 -DAC and FeMN 8 -DAC systems, where M stands for Fe, Co, Ni, Cu, and Zn. More specifically, for Fe-M distances below 15Å, the non-bonding interaction is significant, making the system act as the DAC. We predicted that FeNiN 6 -DAC and FeNiN 8 -DAC exhibit a low ORR overpotential (η ORR ) of 0.28 V and 0.47 V, respectively, which are at the summits of volcano plots. This low η ORR originates from the high Bader charge transfer coupled with high spin density at the Fe site in both the FeNiN 6 -DAC and FeNiN 8 -DAC systems, which weakens the adsorption of OH* intermediate while enhancing its desorption to H 2 O. Guided by these density functional theory (DFT) computational results, we synthesized FeCoN 8 -DAC and FeNiN 8 -DAC along with N-doped graphene and confirmed their structures with scanning transmission electron microscopy (STEM), X-ray photoelectron spectroscopy (XPS), X-ray absorption near-edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and electron spin resonance (ESR). We verify experimentally the catalytic activities and find that FeNiN 8 -DAC has the low experimental overpotential of 0.39 V with a Tafel slope of 47 mVdec -1 . Based on these results, we propose a DFT-guided strategy to tune the charge transfer and spin population of the active site toward designing DACs for electrochemical ORR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiscale Dynamics of Reactive Fronts in the Subsurface

Understanding and predicting flow and reactive transport in rocks (i.e. geologic porous media) is critical to many technologies at the heart of the energy transition, including CO 2 sequestration and H2 storage. However, accurate modeling and prediction of these systems is very complex because physico-chemical processes that occur at very small spatial scales, i.e. in the pores of the rocks, can dramatically control the system performance at the field scale (km). For example, precipitation reactions at the pore-scale can lead to large permeability changes at the field scale and dramatically alter the migration of stored gases. Properly accounting for multi-scale coupling effects is critical to achieve predictivity and confidence in model outputs, which then can guide design and optimization at the system-scale. This can be achieved through the development of rigorous mathematical models that can appropriately account for fine-scale effects at the large scale. The final report of the Early Career award DE-SC0019075 “Multiscale dynamics of reactive fronts in the subsurface” summarizes the mathematical, numerical and experimental advancements to study and predict reactive transport in geologic porous media across scales.

58 GEOSCIENCES↗

Space Telescope fine guidance - A design for manufacturability

The NASA Space Telescope (ST) is a 2.4-m aperture, f/24 Ritchey-Chretien telescope coupled to five on-board astronomical scientific packages. The very accurate line-of-sight stability required by ST during operating periods of up to 24 hours is maintained by the Pointing Control System whose optical system, the Fine Guidance Subsystem (FGS), is described. The Pointing Control System includes three identical FGSs, any two of which provide line-of-sight stabilization by tracking guide stars while the third performs astrometry. The optical system for the ST FGS performs the field aberration correction within the FGS near a pupil plane measuring only 52.7 mm. The design is simple and easily corrected, and offers substantial advantages over the traditional approach in terms of manufacturability.

Friedman, I.↗

OPER: Optimality-Guided Embedding Table Parallelization for Large-scale Recommendation Model

With the sharp increasing volume of user data, Deep Learning Recommendation Model (DLRM) becomes an indispensable infrastructure in large technology companies. However, large-scale DLRM on the multi-GPU platform is still inefficient due to unbalanced workload partitioning and intensive inter-GPU communication. To this end, we propose OPER, an OPtimality guided Embedding table placement for large-scale Recommendation model training and inference. OPER explores the potential of mitigating remote memory access latency in DLRM through fine-grained embedding table placement. Specifically, OPER proposes a theoretical modeling that builds up the relationship between EMT placement and the embedding communication latency in both training and inference. OPER proves the NP hardness of finding the optimal embedding table placement and proposes a heuristic algorithm that yields near optimal placement. OPER implements a SHMEM-based embedding table training system and a unified embedding index mapping to support fine-grained embedding table sharding and placement. Comprehensive experiments reveal that OPER achieves on average 3.4× and 5.1× speedup on training and inference respectively over state-of-the-art DLRM frameworks.

Wang, Zheng↗

Bridging the Gap between the X-ray Absorption Spectroscopy and the Computational Catalysis Communities in Heterogeneous Catalysis: A Perspective on the Current and Future Research Directions

X-ray absorption spectroscopy (XAS) [extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES)] is a key technique within the heterogeneous catalysis community to probe the structure and properties of the active site(s) for a diverse range of catalytic materials. Furthermore, the interpretation of the raw experimental data to derive an atomistic picture of the catalyst requires modeling and analysis; the EXAFS data are compared to a model, and a goodness of fit parameter is used to judge the best fit. This EXAFS modeling can often be nontrivial and time-consuming; overcoming or improving these limitations remains a central challenge for the community. Considering these limitations, this Perspective highlights how recent developments in analysis software, increased availability of reliable computational models, and application of data science tools can be used to improve the speed, accuracy, and reliability of EXAFS interpretation. In particular, we emphasize the advantages of combining theory and EXAFS as a unified technique that should be treated as a standard (when applicable) to identify catalytic sites and not two separate complementary methods. Building on the recent trends in the computational catalysis community, we also present a community-driven approach to adopt FAIR Guiding Principles for the collection, analysis, dissemination, and storage of XAS data. Written with both the experimental and theory audience in mind, we provide a unified roadmap to foster collaborations between the two communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Li x (C 5 H 5 N) y Fe 2– z Se 2 : A Defect-Resilient Expanded-Lattice High-Temperature Superconductor

Two-dimensional iron chalcogenide intercalates display a remarkable correlation of the interlayer spacing with enhancement of the superconducting critical temperature (T c ). In this work, synchrotron X-ray absorption (XAS; at the Fe and Se K-edges) and emission (XES; at the Fe Κβ) spectroscopies allow one to discuss how the important rise of T c (~44 K) in the molecule-intercalated Li x (C 5 H 5 N) y Fe 2-z Se 2 relates to the electronic and local structural changes felt by the inorganic host upon doping (x). XES shows that widely separated layers of edge-sharing FeSe 4 tetrahedra carry low-spin moieties, with a local Fe magnetic moment slightly reduced compared to the parent β-Fe 2-z Se 2 . Pre-edge XAS expresses the progressively reduced mixing of metal 3d-4p states upon lithiation. Doping-mediated local lattice modifications, probed by conventional T c optimization measures (cf. the anion height and FeSe 4 tetrahedra regularity), become less relevant when layers are spaced far away. On the basis of extended X-ray absorption fine structure, such distortions are compensated by a softer Fe network that relates to Fe-site vacancies, alleviating electron-lattice correlations and superconductivity. Density functional theory (DFT) guided modification of the isolated Fe 2-z Se 2 (z, vacant sites) planes, resembling the host layers, identify that Fe-site deficiency occurs at low energy cost, giving rise to stretched Fe sheets, in accordance with experiments. Here, the robust high-T c in Li x (C 5 H 5 N) y Fe 2-z Se 2 , arises from the interplay of electron-donating spacers and the iron selenide layer's tolerance to defect chemistry, a tool to favorably tune its Fermi surface properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On-orbit performance testing of the Pointing Calibration & Reference Sensor for the Spitzer Space Telescope

We present the on-orbit performance results of the Pointing Calibration and Reference Sensor (PCRS) for the Spitzer Space Telescope. A cryogenic optical (center wavelength 0.55 mu) imager, the PCRS serves as the Observatory's fine guidance sensor by providing an alignment reference between the telescope boresight and the external spacecraft attitude determination system. The PCRS makes precision measurements of the positions of known guide stars; these are used to calibrate measurements from Spitzer's star tracker and gyroscopes to obtain the actual pointing of the Spitzer telescope. The PCRS calibrates out thermomoechanical drifts between the 300 K spacecraft bus and the 5.5 K telescope. By using only 16 pixels, the PCRS provides high precision centroiding with extremely low (`64 mu W) power dissipation, resulting in minimal impact to Spritzer's helium lifetime. We have demonstrated that the PCRS meets its centroiding accuracy requirement of 0.14 arcsec 1-sigma radial, which represents about1/100 pixel centroiding. The Spitzer Space Telescope was launched in 25 August, 2003 and completed its In-Orbit Checkout phase two months later; the PCRS has been operating failure free ever since.

Spitzer↗