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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Geologically Recent Areas as One Key Target for Identifying Active Volcanism on Venus

The recently selected NASA VERITAS and DAVINCI missions, the ESA EnVision, the Roscosmos Venera-D will open a new era in the exploration of Venus. One of the key targets of the future orbiting and in-situ investigations of Venus is the identification of volcanically active areas on the planet. The study of the areas characterized by recent or ongoing volcano-tectonic activity can inform us on how volcanism and tectonism are currently evolving on Venus. Following this key target, the manuscript by Brossier et al. (2022) (https://doi.org/10.1029/2022GL099765) extends the successful approach and methodology used by previous works to Ganis Chasma in Atla Regio. We comment here on the main results of the manuscript published by Brossier et al. (2022) (https://doi.org/10.1029/2022GL099765) and discuss the important implications of their work for the future orbiting and in-situ investigations of Venus. Their results add further lines of evidence indicating possibly recent volcanism on Venus.

Solar system↗
DOE OSTI2022

Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets

The SARS-CoV2 pandemic has highlighted the importance of efficient and effective methods for identification of therapeutic drugs, and in particular has laid bare the need for methods that allow exploration of the full diversity of synthesizable small molecules. While classical high-throughput screening methods may consider up to millions of molecules, virtual screening methods hold the promise of enabling appraisal of billions of candidate molecules, thus expanding the search space while concurrently reducing costs and speeding discovery. Here, we describe a new screening pipeline, called drugsniffer, that is capable of rapidly exploring drug candidates from a library of billions of molecules, and is designed to support distributed computation on cluster and cloud resources. As an example of performance, our pipeline required ~40,000 total compute hours to screen for potential drugs targeting three SARS-CoV2 proteins among a library of ~3.7 billion candidate molecules.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2014

Rapid Electrochemical Detection and Identification of Microbiological and Chemical Contaminants for Manned Spaceflight Project

Microbial control in the spacecraft environment is a daunting task, especially in the presence of human crew members. Currently, assessing the potential crew health risk associated with a microbial contamination event requires return of representative environmental samples that are analyzed in a ground-based laboratory. It is therefore not currently possible to quickly identify microbes during spaceflight. This project addresses the unmet need for spaceflight-compatible microbial identification technology. The electrochemical detection and identification platform is expected to provide a sensitive, specific, and rapid sample-to-answer capability for in-flight microbial monitoring that can distinguish between related microorganisms (pathogens and non-pathogens) as well as chemical contaminants. This will dramatically enhance our ability to monitor the spacecraft environment and the health risk to the crew. Further, the project is expected to eliminate the need for sample return while significantly reducing crew time required for detection of multiple targets. Initial work will focus on the optimization of bacterial detection and identification. The platform is designed to release nucleic acids (DNA and RNA) from microorganisms without the use of harmful chemicals. Bacterial DNA or RNA is captured by bacteria-specific probe molecules that are bound to a microelectrode, and that capture event can generate a small change in the electrical current (Lam, et al. 2012. Anal. Chem. 84(1): 21-5.). This current is measured, and a determination is made whether a given microbe is present in the sample analyzed. Chemical detection can be accomplished by directly applying a sample to the microelectrode and measuring the resulting current change. This rapid microbial and chemical detection device is designed to be a low-cost, low-power platform anticipated to be operated independently of an external power source, characteristics optimal for manned spaceflight and areas where power and computing resources are scarce.

Pierson, Duane↗
DOE OSTI2026

Flow-dependent tagging of 214 Pb decays in the LZ dark matter detector

The LUX-ZEPLIN (LZ) experiment is searching for dark matter interactions in a liquid xenon time projection chamber (LXe-TPC). This article demonstrates how control of the flow state in the LXe-TPC enables the identification of pairs of sequential alpha-decays, which are used to map fluid flow and ion drift in the liquid target. The resulting transport model is used to tag 214 Pb~ beta-decays, a leading background to dark matter signals in LZ. Temporally evolving volume selections, at a cost of 9.0% of exposure, target the decay of each 214 Pb~ atom up to 81 minutes after production, resulting in (63±6 (s⁢t⁢a⁢t) ±7 (s⁢y⁢s) )% identification of 214 Pb~decays to ground state. We also demonstrate how flow-based tagging techniques enable a novel calibration side band that is concurrent with science data. Lastly we report updated estimates of radon-chain charge branching fractions in liquid xenon, finding branching to 218 Po + at 0.49±0.01, 214 Pb + at 0.48±0.12, and 214 Bi + at 0.74±0.05, with a mean charged ion lifetime in the LZ TPC of 49±4 min.

Lorenzon, Wolfgang [University of Michigan, Ann Ar↗
DOE OSTI2024

Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) Inhibitors

Histone deacetylases (HDACs) are important cancer drug targets. Existing FDA-approved drugs target the catalytic pocket of HDACs, which is conserved across subfamilies (classes) of HDAC. However, engineering specificity is an important goal. Herein, we use molecular modeling approaches to identify and target potential novel pockets specific to Class IIA HDAC-HDAC4 at the interface between HDAC4 and the transcriptional corepressor component protein NCoR. These pockets were screened using an ensemble docking approach combined with consensus scoring to identify compounds with a different binding mechanism than the currently known HDAC modulators. Binding was compared in experimental assays between HDAC4 and HDAC3, which belong to a different family of HDACs. HDAC4 was significantly inhibited by compound 88402 but not HDAC3. Two other compounds (67436 and 134199) had IC50 values in the low micromolar range for both HDACs, which is comparable to the known inhibitor of HDAC4, SAHA (Vorinostat). However, both of these compounds were significantly weaker inhibitors of HDAC3 than SAHA and thus more selective, albeit to a limited extent. Five compounds exhibited activity on human breast carcinoma and/or urothelial carcinoma cell lines. The present result suggests potential mechanistic and chemical approaches for developing selective HDAC4 modulators.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The Breakthrough Listen Search for Intelligent Life: Searching for Technosignatures in Observations of TESS Targets of Interest

Exoplanetary systems are prime targets for the Search for Extraterrestrial Intelligence (SETI). With the recent uptick in the identification of candidate and confirmed exoplanets through the work of missions like the Transiting Exoplanet Survey Satellite (TESS), we are beginning to understand that Earth-like planets are common. In this work, we extend the Breakthrough Listen (BL) search for extraterrestrial intelligence to include targeted searches of stars identified by TESS as potential exoplanet hosts. We report on 113 30 minute cadence observations collected for 28 targets selected from the TESS Input Catalog from among those identified as containing signatures of transiting planets. The targets were searched for narrowband signals from 1 to 11 GHz using the turboSETI pipeline architecture modified for compatibility with the Google Cloud environment. Data were searched for drift rates of ±4 Hz s{sup −1} above a minimum signal-to-noise threshold of 10, following the parameters of previous searches conducted by Price et al. and Enriquez et al. The observations presented in this work establish some of the deepest limits to date over such a wide band (1–11 GHz) for life beyond Earth. We determine that fewer than 12.72% of the observed targets possess transmitters operating at these frequencies with an equivalent isotropic radiated power greater than our derived threshold of 4.9×10{sup 14} W.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Line confusion in spectroscopic surveys and its possible effects: shifts in Baryon Acoustic Oscillations position

ABSTRACT Roman Space Telescope will survey about 17 million emission-line galaxies over a range of redshifts. Its main targets are Hα emission-line galaxies at low redshifts (z < 2) and [O iii] emission-line galaxies at high redshifts (z > 2). The Roman Space Telescope will estimate the redshift of these galaxies with single-line identification. This suggests that other emission-line galaxies may be misidentified as the main targets. In particular, it is hard to distinguish between the H β and [O iii] lines as the two lines are close in wavelength and hence the photometric information may not be sufficient to separate them reliably. Misidentifying H β emitter as [O iii] emitter will cause a shift in the inferred radial position of the galaxy by approximately 90 Mpc h−1. This length-scale is similar to the Baryon Acoustic Oscillation (BAO) scale and could shift and broaden the BAO peak, possibly introduce errors in determining the BAO peak position. We qualitatively describe the effect of this new systematic and further quantify it with a light-cone simulation with emission-line galaxies. Our results show a systematic shift in the recovered isotropic BAO positions that depends on the percentage of interlopers (percentage of ${\rm H}\,\beta$) in the sample. The systematic shift can be as large as $0.1{-}0.3\,\mathrm{ per}\,\mathrm{ cent} \, {\rm x}\, {{\%}}{\rm H}\,\beta$ for analysis performed at redshifts z = 1.3−1.9.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking

The identification of promising lead compounds showing pharmacological activities toward a biological target is essential in early stage drug discovery. With the recent increase in available small-molecule databases, virtual high-throughput screening using physics-based molecular docking has emerged as an essential tool in assisting fast and cost-efficient lead discovery and optimization. However, the best scored docking poses are often suboptimal, resulting in incorrect screening and chemical property calculation. We address the pose classification problem by leveraging data-driven machine learning approaches to identify correct docking poses from AutoDock Vina and Glide screens. To enable effective classification of docking poses, we present two convolutional neural network approaches: a three-dimensional convolutional neural network (3D-CNN) and an attention-based point cloud network (PCN) trained on the PDBbind refined set. We demonstrate the effectiveness of our proposed classifiers on multiple evaluation data sets including the standard PDBbind CASF-2016 benchmark data set and various compound libraries with structurally different protein targets including an ion channel data set extracted from Protein Data Bank (PDB) and an in-house KCa3.1 inhibitor data set. Our experiments show that excluding false positive docking poses using the proposed classifiers improves virtual high-throughput screening to identify novel molecules against each target protein compared to the initial screen based on the docking scores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A tabletop X-ray tomography instrument for nanometer-scale imaging: reconstructions

Abstract We show three-dimensional reconstructions of a region of an integrated circuit from a 130 nm copper process. The reconstructions employ x-ray computed tomography, measured with a new and innovative high-magnification x-ray microscope. The instrument uses a focused electron beam to generate x-rays in a 100 nm spot and energy-resolving x-ray detectors that minimize backgrounds and hold promise for the identification of materials within the sample. The x-ray generation target, a layer of platinum, is fabricated on the circuit wafer itself. A region of interest is imaged from a limited range of angles and without physically removing the region from the larger circuit. The reconstruction is consistent with the circuit’s design file.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Chemical screening by time-resolved X-ray scattering to discover allosteric probes

Abstract Drug discovery relies on efficient identification of small-molecule leads and their interactions with macromolecular targets. However, understanding how chemotypes impact mechanistically important conformational states often remains secondary among high-throughput discovery methods. Here, we present a conformational discovery pipeline integrating time-resolved, high-throughput small-angle X-ray scattering (TR-HT-SAXS) and classic fragment screening applied to allosteric states of the mitochondrial import oxidoreductase apoptosis-inducing factor (AIF). By monitoring oxidized and X-ray-reduced AIF states, TR-HT-SAXS leverages structure and kinetics to generate a multidimensional screening dataset that identifies fragment chemotypes allosterically stimulating AIF dimerization. Fragment-induced dimerization rates, quantified with time-resolved SAXS similarity analysis ( k VR ), capture structure–activity relationships (SAR) across the top-ranked 4-aminoquinoline chemotype. Crystallized AIF–aminoquinoline complexes validate TR-SAXS-guided SAR, supporting this conformational chemotype for optimization. AIF–aminoquinoline structures and mutational analysis reveal active site F482 as an underappreciated allosteric stabilizer of AIF dimerization. This conformational discovery pipeline illustrates TR-HT-SAXS as an effective technology for targeting chemical leads to important macromolecular states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Development of a Lower Cost, High Volume, Commercially Available, Precursor for Lower Cost Carbon Fiber for Automotive and Wind Blade Applications

Essentially all carbon fibers used in structural applications are presently manufactured from solution spun polyacrylonitrile (PAN) precursor. Solution spinning is accomplished at relatively low temperatures using very large amounts of environmentally unfriendly solvents that impart major impact to line speed and costs involved with handling and reclaiming the solvents and associated “waste streams” required in spinning and extracting those solvents. Dralon and others have demonstrated the dry spinning of PAN in the production of some acrylic fibers for textile applications, but to this point it has not been demonstrated in the production of carbon fibers. In dry spinning, the PAN polymer is also dissolved into similar solvents, although typically less solvent is utilized to maintain a somewhat higher solids content of 20-50%. The use of lower overall solvent quantities and elimination of the need for solvent/water separation simplifies and reduces the cost of solvent recovery operations. Other portions of the precursor production and carbon fiber manufacturing processes are quite similar. The work described in this report demonstrated that dry spun acrylic fiber can be an attractive candidate for carbon fiber precursor of potential interest to applications looking to capture the specific stiffness (stiffness per unit mass) and specific strength (strength per unit mass) of carbon fiber when produced at a discount relative to commercial carbon fibers in the market today. Dralon has determined that the dry spinning process utilized for producing fibers used as precursors in this project requires 27% less energy versus producing comparable fibers via the industry standard wet spinning process. Identification of carbon fiber manufacturers, as well as applications development and targeted marketing, will be required to achieve significant in-roads into mission areas of interest to DOE, such as automotive applications and wind turbine blades. In support of that activity, initial data produced in this project indicate the innovative approach as described in this report can meet at least the baseline property requirements identified for these applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elucidating Mechanisms of Rust Pathogenesis for Engineering Resistance in Poplar

The overall objective of this research was to elucidate the molecular basis for the virulence of Melampsora larici-populina towards Populus spp. in order to address the formidable challenge of engineering durable resistance in poplar against leaf rust. Our original research plan was built on the technically innovative approach of using dual host systems and known host defense proteins and pathogen avirulent effectors along with genome-wide approaches to identify key pathogenesis effectors of Melampsora larici-populina that target poplar defense and nutrient acquisition. Our efforts focused on developing high-throughput experimental approaches and systems to enable us to address our overarching hypothesis that rust effectors with homology to other fungal effectors will either bypass the poplar immune system and/or suppress effector-triggered immunity through conserved mechanisms, and that an analysis of these interaction networks would provide for new approaches to develop rust-resistant poplar. Three main objectives were originally proposed: (1) mine key rust effectors that suppress host immunity; (2) elucidate interaction networks in poplar targeted by key rust effectors; (3) generate transgenic poplar resources for identification of genes involved in pathogen infection or host defense triggered by rust. Generally, we worked towards all three objectives by developing and applying complementary molecular, genomic, biochemical and plant transformation approaches.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Autonomous Hydrogen Fueling Station

This project “Autonomous Hydrogen Fueling Station” covered the autonomous refueling with both gaseous hydrogen and liquid hydrogen. The part on gaseous hydrogen focused on the development of an autonomous robotic fueling arm that would couple to a fuel cell engine for hydrogen refueling without guidance from the forklift operator and budget period. Research was also covered for the robotic fueling with a commercial vehicle. The second phase of the project created the baseline for an autonomous liquid hydrogen transfer system that would minimize boil off losses by operating at thermodynamically efficient state points. For the development of the robotic fueling arm, testing was conducted to establish a baseline measurement of the accuracy and repeatability of a human operator positioning a lift truck in front of a dispenser. The goal was to establish the range of motion required for an autonomous fueling mechanism to mate a hydrogen nozzle with a receptacle on a fuel cell system installed in a forklift. The final design comprised a selective compliance articulated robot arm (SCARA)-type mechanism with two arms for horizontal motion and a ball screw for vertical movement and color and LIDAR cameras were used for marker identification and proximity awareness to guide the robotic arm to its target receptacle. Initial tests resulted in 199 out of 200 successful attempts at autonomous coupling of the dispensing coupler and a fuel cell engine, without hydrogen. The dispenser prototype was modified to include tubing for both hydrogen fuel and air purge lines, but subsequent tests were confounded by the shoulder motor over current errors which limited the robot from getting to the fully inserted position to achieve a positive latch. Robotic hydrogen refueling was successfully demonstrated over 1.5 hours of testing, Plug completed 29 successful latches with an average number of 4 sequential latches before failure. However, a robot capable of placing the nozzle with more force is required for higher reliability. For budget period two, a small scale (10 kg / transfer) automated control system was designed that would operate valves to control pressure and flow of liquid nitrogen between a source and receiving tank with an aim to minimize boil off losses by operating at the most thermodynamically efficient state points. Control system logic flow and a P&ID were developed prior to system safety characterization via HAZOP. A control narrative and system state points were defined. Delays in approval for a change of project objective and procurement issues precluded the construction and test of the final prototype system.

08 HYDROGEN↗
DOE OSTI2026

Techno-Economic Evaluation of Electrified Vehicle Options in Drayage Fleets

The electrification of drayage fleets offers potential economic and operational benefits, but the financial viability of electrified vehicles remains sensitive to battery cost, energy price, and fleet usage patterns. While total cost of ownership (TCO) is a useful benchmark, fleet operators and investors are equally concerned with investment performance metrics such as payback period (PB) and Internal Rate of Return (IRR), which better reflect financial risks and investment return timelines. This study develops a unified techno-economic framework that jointly evaluates TCO, PB, and IRR to determine when electrified trucks become cost-effective alternatives to diesel trucks. Building on a previously developed cost modeling tool and using real-world telematics data from a Class 8 drayage fleet at the Port of Savannah, the analysis incorporates projected battery cost trajectories, electricity and diesel price trends, vehicle efficiency improvements, and multiple battery capacities. Parameter ranges reflect widely cited projections and observed drayage-duty-cycle variability. A surrogate-modeling method approximates economic performance across thousands of battery cost–electricity price combinations, enabling high-resolution identification of conditions that achieve TCO parity, acceptable PB thresholds, and target IRR levels. Additionally, the study estimates the evolving share of the fleet that can feasibly electrify over time under multiple economic metrics. This integrated framework offers a novel, data-driven approach to inform risk-aware decision-making for fleet electrification and supports investment planning under evolving cost and operational conditions.

Sun, Ruixiao [ORNL] (ORCID:0000000341768676)↗
NASA NTRS1991

Galileo Attitude Determination: Experiences with a Rotating Star Scanner

The Galileo experience with a rotating star scanner is discussed in terms of problems encountered in flight, solutions implemented, and lessons learned. An overview of the Galileo project and the attitude and articulation control subsystem is given and the star scanner hardware and relevant software algorithms are detailed. The star scanner is the sole source of inertial attitude reference for this spacecraft. Problem symptoms observed in flight are discussed in terms of effects on spacecraft performance and safety. Sources of thse problems include contributions from flight software idiosyncrasies and inadequate validation of the ground procedures used to identify target stars for use by the autonomous on-board star identification algorithm. Problem fixes (some already implemented and some only proposed) are discussed. A general conclusion is drawn regarding the inherent difficulty of performing simulation tests to validate algorithms which are highly sensitive to external inputs of statistically 'rare' events.

Merken, L.↗
NASA NTRS1991

Intelligent systems technology infrastructure for integrated systems

A system infrastructure must be properly designed and integrated from the conceptual development phase to accommodate evolutionary intelligent technologies. Several technology development activities were identified that may have application to rendezvous and capture systems. Optical correlators in conjunction with fuzzy logic control might be used for the identification, tracking, and capture of either cooperative or non-cooperative targets without the intensive computational requirements associated with vision processing. A hybrid digital/analog system was developed and tested with a robotic arm. An aircraft refueling application demonstration is planned within two years. Initially this demonstration will be ground based with a follow-on air based demonstration. System dependability measurement and modeling techniques are being developed for fault management applications. This involves usage of incremental solution/evaluation techniques and modularized systems to facilitate reuse and to take advantage of natural partitions in system models. Though not yet commercially available and currently subject to accuracy limitations, technology is being developed to perform optical matrix operations to enhance computational speed. Optical terrain recognition using camera image sequencing processed with optical correlators is being developed to determine position and velocity in support of lander guidance. The system is planned for testing in conjunction with Dryden Flight Research Facility. Advanced architecture technology is defining open architecture design constraints, test bed concepts (processors, multiple hardware/software and multi-dimensional user support, knowledge/tool sharing infrastructure), and software engineering interface issues.

Lum, Henry↗
NASA NTRSDate not supplied

Predicting Adverse Events and their Precursors in Aviation Using Multi-Class Multiple-Instance Learning

In recent years, there has been a rapid growth in the application of machine learning techniques that leverage aviation data collected from commercial airline operations to improve safety. Anomaly detection and predictive maintenance have been the main targets for machine learning applications. However, this paper focuses on the identification of precursors, which is a relatively newer application. Precursors are events correlated with adverse events that happen prior to the adverse event itself. Therefore, precursor mining provides many benefits including understanding the reasons behind a safety incident and the ability to identify signatures, which can be tracked throughout a flight to alert the operators of an potential upcoming adverse event. This work proposes using the multiple-instance learning (MIL) framework, a weakly supervised learning task, combined with a carefully designed Multi-Head Convolutional Neural Networks-Recurrent Neural Networks (MHCNN-RNN) architecture to predict different type of adverse events for any given flights and identify their precursors with little to no post-processing.Results obtained show that the MHCNN-RNN is able to accurately forecast high speed and high path angle events during the approach, and that it is also capable of determining the aircraft’s parameters that are correlated to these events. These parameters can be considered precursors to the events.

multiple instance learning↗
NASA NTRS1994

A modular solid state detector for measuring high energy heavy ion fragmentation near the beam axis

A multi-element solid state detector has been designed to measure fluences of fragments produced near the beam axis by high energy heavy ion beams in thick targets. The detector is compact and modular, so as to be readily reconfigured according to the range of fragment charges and energies to be measured. Preamplifier gain settings and detector calibrations are adjustable remotely under computer control. We describe the central detector, its associated detectors and electronics, triggering scheme, data acquisition and particle identification techniques, illustrated by data taken with 600 MeV/u 56Fe beams and thick polyethylene targets at the LBL Bevalac. The applications of this work to space radiation protection are discussed.

NASA Center HQS↗