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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 541 records · Page 30

VoroClust: Scalable Clustering for Remote Sensing

Although supervised machine learning provides a powerful framework for image classification and segmentation, it requires comprehensive consistent datasets, which are not available for many remote-sensing applications. Remote-sensing datasets are expensive to collect, and each is acquired under different environmental conditions or with significant variations in system operating parameters. Unsupervised clustering algorithms analyze the structure of each dataset independently, rather than drawing on similarities with existing “training” examples, and are thus well suited for practical remote-sensing applications. We introduce VoroClust, a fast density-based unsupervised clustering algorithm applicable to high-resolution and high-dimensional data. VoroClust runs as fast as distance-based clustering methods, while capturing complex regional geometries at least as well as current-density-based methods. It uses a data-centered sphere cover to reduce computational demands, while still capturing data topology. It then propagates clusters outward from local peaks in density. We show that VoroClust provides fast state-of-the-art clustering for both high-resolution polarimetric synthetic aperture radar and high-dimensional hyperspectral imaging datasets.

42 ENGINEERING↗

Scalable balanced training of conditional generative adversarial neural networks on image data

Here, we propose a distributed approach to train deep convolutional generative adversarial neural network (DC-CGANs) models. Our method reduces the imbalance between generator and discriminator by partitioning the training data according to data labels, and enhances scalability by performing a parallel training where multiple generators are concurrently trained, each one of them focusing on a single data label. Performance is assessed in terms of inception score, Fréchet inception distance, and image quality on MNIST, CIFAR10, CIFAR100, and ImageNet1k datasets, showing a significant improvement in comparison to state-of-the-art techniques to training DC-CGANs. Weak scaling is attained on all the four datasets using up to 1000 processes and 2000 NVIDIA V100 GPUs on the OLCF supercomputer Summit.

97 MATHEMATICS AND COMPUTING↗

Adaptive mitigation of time-varying quantum noise

Current quantum computers suffer from non-stationary noise channels with high error rates, which undermines their reliability and reproducibility. We propose a Bayesian inference based adaptive algorithm that can learn and mitigate quantum noise in response to changing channel conditions. Our study emphasizes the need for dynamic inference of critical channel parameters to improve program accuracy. We use the Dirichlet distribution to model the stochasticity of the Pauli channel. This allows us to perform Bayesian inference, which can improve the performance of probabilistic error cancellation (PEC) under time-varying noise. Our work demonstrates the importance of characterizing and mitigating temporal variations in quantum noise, which is crucial for developing more accurate and reliable quantum technologies. Our results demonstrate that Bayesian PEC can outperform non-adaptive approaches by a factor of 4.5x when measured using Hellinger distance from the ideal distribution.

Dasgupta, Samudra↗

Computational optimal transport for molecular spectra: The fully discrete case

In this study, the use of computational optimal transport is investigated as a tool for comparing two molecular spectra. Unlike other techniques for comparing molecular spectra in a pattern-recognition framework, transport distances simultaneously encode information about line positions and intensities. In addition, it is shown that transport distances are a useful alternative to Euclidean distances as Euclidean distances are based on line-by-line comparisons, while transport distances reflect broader features of molecular spectra and adequately compare spectra with different resolutions. This paper includes a tutorial on the use of optimal transport and investigates several well-chosen examples to illustrate the utility of computational optimal transport for comparing molecular spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploring the Limits of Biological Complexity Amenable to Studies by Incoherent Neutron Spectroscopy

The wavelengths of neutrons available at neutron scattering facilities are comparable with intra- and inter-molecular distances, while their energies are comparable with molecular vibrational energies, making such neutrons highly suitable for studies of molecular-level dynamics. The unmistakable trend in neutron spectroscopy has been towards measurements of systems of greater complexity. Several decades of studies of dynamics using neutron scattering have witnessed a progression from measurements of solids to liquids to protein complexes and biomembranes, which may exhibit properties characteristic of both solids and liquids. Over the last two decades, the frontier of complexity amenable to neutron spectroscopy studies has reached the level of cells. Considering this a baseline for neutron spectroscopy of systems of the utmost biological complexity, we briefly review what has been learned to date from neutron scattering studies at the cellular level and then discuss in more detail the recent strides into neutron spectroscopy of tissues and whole multicellular organisms.

59 BASIC BIOLOGICAL SCIENCES↗

High-capacity ATHLETE Offloader Mobility Constructor Concept for Human Surface Exploration

Using cross-cabled, winch-tendon four-bar frames, a new Artemis-class ATHLETE system is a multi-limbed robotic mobility platform that is designed for surface traverse, precision placement, and offloading of heavy habitats and other large human exploration payloads from high-decked landers. Building upon lessons learned from the All-Terrain Hex-Limbed Extra-Terrestrial Explorer (ATHLETE) robotic mobility system developed for Constellation Lunar Surface Systems and Evolvable Mars Campaign, a high-capacity articulated crane / lift vehicle concept has been devised that would be equipped with multi-limb six-degree-of-freedom dexterity for a variety of tasks supporting planetary surface human exploration missions and outposts. The Artemis-class ATHLETE vehicle would use any combination of three to six wheel-onlimb combinations to provide a wide “outrigger” stance to transfer loads from a high center-of-gravity on sloped terrain to low stable carry configurations for long-distance traverses, and be capable of precision docking of payloads to previously positioned elements. The new vehicle concept improves upon previous Constellation-class ATHLETE versions by allowing modular hot-swapping of individual limbs to improve maintenance and flexibility. The extreme-capacity independent limbs can individually function as single cranes, and can be delivered separately via multiple lander manifests for later congregation into self-driving “Tri-ATHLETE” vehicles after delivery to the surface. This paper provides mission architecture targets and vehicle masses for stepped payload capacity values in Earth, Mars, and Lunar gravity environments, and discusses a variety of swappable tools, including wheeled mobility attachments, grippers, excavation tools, repair fixtures, ISRU extraction, winches, block & tackle rigging combinations, 3D printheads, and construction aids.

Wilcox, Brian↗

Discovering faint and high apparent motion rate near-Earth asteroids using a deep learning program

ABSTRACT Although many near-Earth objects have been found by ground-based telescopes, some fast-moving ones, especially those near detection limits, have been missed by observatories. We developed a convolutional neural network for detecting faint fast-moving near-Earth objects. It was trained with artificial streaks generated from simulations and was able to find these asteroid streaks with an accuracy of 98.7 per cent and a false positive rate of 0.02 per cent on simulated data. This program was used to search image data from the Zwicky Transient Facility (ZTF) in four nights in 2019, and it identified six previously undiscovered asteroids. The visual magnitudes of our detections range from ∼19.0 to 20.3 and motion rates range from ∼6.8 to 24 deg d−1, which is very faint compared to other ZTF detections moving at similar motion rates. Our asteroids are also ∼1–51 m diameter in size and ∼5–60 lunar distances away at close approach, assuming their albedo values follow the albedo distribution function of known asteroids. The use of a purely simulated data set to train our model enables the program to gain sensitivity in detecting faint and fast-moving objects while still being able to recover nearly all discoveries made by previously designed neural networks which used real detections to train neural networks. Our approach can be adopted by any observatory for detecting fast-moving asteroid streaks.

Wang, Franklin (ORCID:0000000344887355)↗

Unobtrusive Sensor-Based Occupancy Facing Direction Detection and Tracking Using Advanced Machine Learning Algorithms

Facing direction detection plays a critical role in human-computer interaction and has a wide application in surveillance systems, driving awareness recognition, smart home appliances, computer games, and so on. Current detection methods are mainly focused on extracting specific patterns from user's optical images, which raises concerns on privacy invasion and these detection techniques do not usually work in a dark environment. To address these concerns, here this paper proposes an activity recognition system guided by an unobtrusive sensor (ARGUS). By using a low pixel infrared thermopile array sensor, ARGUS is capable of identifying five facing directions (left 45°/90°, right 45°/90°, and front) through the support vector machine classifier. Also two feature extraction methods are compared. One is manually-defined and the other is based on a pre-trained convolutional neural network (CNN) model. The facing direction detection accuracy resulting from manually-defined features reaches 85.3%, 90.6%, and 85.2% at detection distance of 0.6, 1.2, and 1.8 m, respectively. The level of accuracy resulted from using pre-trained CNN features demonstrates a much more reliable performance (89.1%, 95.3%, and 95.1% at distance of 0.6, 1.2, and 1.8 m, respectively). In addition, ARGUS has been successfully applied for occupancy tracking with a root mean square error of 0.19 m.

42 ENGINEERING↗

Reverse Osmosis Simulation Data

This dataset consists of computational fluid dynamics (CFD) output for various spacer configurations in a feed-water channel in reverse osmosis (RO) applications. Feed-water channels transport brine solution to the RO membrane surfaces. The spacers embedded in the channels help improve membrane performance by disrupting the concentration boundary layer growth on membrane surfaces. Refer to the "Related Work" resource below for more details. This dataset considers a feed-water channel of length 150mm. The inlet brine velocity and concentration are fixed at 0.1m/s and 100kg/m3 respectively. The diameter of the cylindrical spacers is fixed as 0.3mm and six varying inter-spacer distances of 0.75mm, 1mm, 1.5mm, 2mm, 2.5mm, and 3mm are simulated. The dataset comprising the steady, spatial fields of solute concentration, velocity, and density near each spacer is placed in the folder corresponding to the spacer configuration considered. We run two sets of CFD simulations and include the outputs from both sets for each configuration: (1) with a coarser mesh, producing low-resolution (LR) data of spatial resolution 20x20, and (2) with a finer mesh, producing high-resolution (HR) data of spatial resolution 100x100. These data points can be treated as images with the quantities of interest as their channels and can be used to train machine learning models to learn a mapping from the LR images as inputs to the HR images as outputs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Initial Approach to Collect Small Unmanned Aircraft System Off-Nominal Operational Situations Data

NASA is developing the Unmanned Aircraft System Traffic Management research platform to safely integrate small unmanned aircraft operations in large-scale at low-altitudes. As a part of this effort, small unmanned aircraft system off-nominal operational situations data collection process has been developed to take lessons learned and to reinforce operational compliance. In this paper, descriptions of variables used for digital data collection and an online report form for collection of observational data from the operators (contextual data) are provided. They are used to collect off-nominal data from the Unmanned Aircraft System Traffic Management National Campaign in 2017. The digital data show that 2 out of 118 campaign operations (1.7%) encountered loss of navigation. Since the campaign aircraft used Global Positioning System for navigation, it is likely that unobstructed view of the sky at the campaign locations contributed to this small number. Also, 4 out of 47 operations (8.5%) encountered loss of communications. A relatively short distance between ground control system and aircraft, ranging from 2300 feet to 4200 feet, likely contributed to this small number. There was no data to identify the loss of communications condition, aircraft received signal strength, for the remaining 71 operations suggesting that some operators may not be monitoring unmanned aircraft communications system performance or monitoring it with different parameters. For the contextual data, due to the low number of total reports during the campaign, no significant trends emerged. This is an initial attempt to collect contextual data from small unmanned aircraft operators about off-nominal situations, and changes will be made to the future data collection to improve the amount and quality of the information.

unmanned aviation systems traffic management (UTM)↗

Initial Approach to Collect Small Unmanned Aircraft System Off-Nominal Operational Situations Data

NASA is developing the Unmanned Aircraft System Traffic Management research platform to safely integrate small unmanned aircraft operations in large-scale at low-altitudes. As a part of this effort, small unmanned aircraft system off-nominal operational situations data collection process has been developed to take lessons learned and to reinforce operational compliance. In this paper, descriptions of variables used for digital data collection and an online report form for collection of observational data from the operators (contextual data) are provided. They are used to collect off-nominal data from the Unmanned Aircraft System Traffic Management National Campaign in 2017. The digital data show that 2 out of 118 campaign operations (1.7%) encountered loss of navigation. Since the campaign aircraft used Global Positioning System for navigation, it is likely that unobstructed view of the sky at the campaign locations contributed to this small number. Also, 4 out of 47 operations (8.5%) encountered loss of communications. A relatively short distance between ground control system and aircraft, ranging from 2300 feet to 4200 feet, likely contributed to this small number. There was no data to identify the loss of communications condition, aircraft received signal strength, for the remaining 71 operations suggesting that some operators may not be monitoring unmanned aircraft communications system performance or monitoring it with different parameters. For the contextual data, due to the low number of total reports during the campaign, no significant trends emerged. This is an initial attempt to collect contextual data from small unmanned aircraft operators about off-nominal situations, and changes will be made to the future data collection to improve the amount and quality of the information.

Jung, Jaewoo↗

Deployer Performance Results for the TSS-1 Mission

Performance of the Tethered Satellite System (TSS) Deployer during the STS-46 mission (July and August 1992) is analyzed in terms of hardware operation at the component and system level. Although only a limited deployment of the satellite was achieved (256 meters vs 20 kilometers planned), the mission served to verify the basic capability of the Deployer to release, control and retrieve a tethered satellite. - Deployer operational flexibility that was demonstrated during the flight is also addressed. Martin Marietta was the prime contractor for the development of the Deployer, under management of the NASA George C. Marshall Space Flight Center (MSFC). The satellite was provided by Alenia, Torino, Italy under contract to the Agencia Spaziale Italiana (ASI). Proper operation of the avionics components and the majority of mechanisms was observed during the flight. System operations driven by control laws for the deployment and retrieval of the satellite were also successful for the limited deployment distance. Anomalies included separation problems for one of the two umbilical connectors between the Deployer and satellite, tether jamming (at initial Satellite fly-away and at a deployment distance of 224 meters), and a mechanical interference which prevented tether deployment beyond 256 meters. The Deployer was used in several off-nominal conditions to respond to these anomalies, which ultimately enabled a successful satellite retrieval and preservation of hardware integrity for a future re-flight. The paper begins with an introduction defining the significance of the TSS-1 mission. The body of the paper is divided into four major sections: (1) Description of Deployer System and Components, (2) Deployer Components/Systems Demonstrating Successful Operation, (3) Hardware Anomalies and Operational Responses, and (4) Design Modifications for the TSS-1R Re-flight Mission. Conclusions from the TSS-1 mission, including lessons learned are presented at the end of the manuscript.

Marshall, Leland S.↗

Artificial intelligence “sees” split electrons

Chemical bonds between atoms are stabilized by the exchange-correlation (xc) energy, a quantum-mechanical effect in which “social distancing” by electrons lowers their electrostatic repulsion energy. Kohn-Sham density functional theory (DFT) states that the electron density determines this xc energy, but the density functional must be approximated. Furthermore, this is usually done by satisfying exact constraints of the exact functional (making the approximation predictive), by fitting to data (making it interpolative), or both. Two exact constraints—the ensemble-based piecewise linear variation of the total energy with respect to fractional electron number and fractional electron z-component of spin —require hard-to-control nonlocality. On page 1385 of this issue, Kirkpatrick et al. have taken a big step toward more accurate predictions for chemistry through the machine learning of molecular data plus the fractional charge and spin constraints, expressed as data that a machine can learn.

74 ATOMIC AND MOLECULAR PHYSICS↗

Insights into coordination and ligand trends of lanthanide complexes from the Cambridge Structural Database

Abstract Understanding lanthanide coordination chemistry can help develop new ligands for more efficient separation of lanthanides for critical materials needs. The Cambridge Structural Database (CSD) contains tens of thousands of single crystal structures of lanthanide complexes that can serve as a training ground for both fundamental chemical insights and future machine learning and generative artificial intelligence models. This work aims to understand the currently available structures of lanthanide complexes in CSD by analyzing the coordination shell, donor types, and ligand types, from the perspective of rare-earth element (REE) separations. We obtain four sets of lanthanide complexes from CSD: Subset 1, all Ln-containing complexes (49472 structures); Subset 2, mononuclear Ln complexes (27858 structures); Subset 3, mononuclear Ln complexes without cyclopentadienyl ligands (Cp) (26156 structures); Subset 4, Ln complexes with at least one 1,10-phenanthroline (phen) or its derivative as a coordinating ligand (2226 structures). The subsequent analysis of lanthanide complexes in these subsets examines the trends in coordination numbers and first shell distances as well as identifies and characterizes the ligands and donor groups. In addition, examples of Ln-complexes with commercially available complexants and phen-based ligands are interrogated in detail. This systematic investigation lays the groundwork for future data-driven ligand designs for REE separations based on the structural insights into the lanthanide coordination chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

GROWTH on S190426c: Real-time Search for a Counterpart to the Probable Neutron Star–Black Hole Merger using an Automated Difference Imaging Pipeline for DECam

The discovery of a transient kilonova following the gravitational-wave (GW) event GW170817 highlighted the critical need for coordinated rapid and wide-field observations, inference, and follow-up across the electromagnetic spectrum. In the southern hemisphere, the Dark Energy Camera (DECam) on the Blanco 4 m telescope is well suited to this task, as it is able to cover wide fields quickly while still achieving the depths required to find kilonovae like the one accompanying GW170817 to ~500 Mpc, the binary neutron star (NS) horizon distance for current generation of LIGO/Virgo collaboration (LVC) interferometers. Here, as part of the multi-facility follow-up by the Global Relay of Observatories Watching Transients Happen collaboration, we describe the observations and automated data movement, data reduction, candidate discovery, and vetting pipeline of our target-of-opportunity DECam observations of S190426c, the first possible NS-black hole merger detected in GWs. Starting 7.5 hr after S190426c, over 11.28 hr of observations, we imaged an area of 525 deg 2 ( r band) and 437 deg 2 ( z band); this was 16.3% of the total original localization probability, and nearly all of the probability visible from the southern hemisphere. The machine-learning-based pipeline was optimized for fast turnaround, delivering transients for human vetting within 17 minutes, on average, of shutter closure. We reported nine promising counterpart candidates 2.5 hr before the end of our observations. One hour after our data-taking ended (roughly 20 hr after the announcement of S190426c), LVC released a refined skymap that reduced the probability coverage of our observations to 8.0%, demonstrating a critical need for localization updates on shorter (~hour) timescales. Our observations yielded no detection of a bona fide counterpart to m z = 21.7 and m r = 22.2 at the 5σ level of significance, consistent with the refined LVC positioning. Here, we view these observations and rapid inferencing as an important real-world test for this novel end-to-end wide-field pipeline.

79 ASTRONOMY AND ASTROPHYSICS↗

Addressing Human System Risks to Future Space Exploration

NASA is contemplating future human exploration missions to destinations beyond low Earth orbit, including the Moon, deep-space asteroids, and Mars. While we have learned much about protecting crew health and performance during orbital space flight over the past half-century, the challenges of these future missions far exceed those within our current experience base. To ensure success in these missions, we have developed a Human System Risk Board (HSRB) to identify, quantify, and develop mitigation plans for the extraordinary risks associated with each potential mission scenario. The HSRB comprises research, technology, and operations experts in medicine, physiology, psychology, human factors, radiation, toxicology, microbiology, pharmacology, and food sciences. Methods: Owing to the wide range of potential mission characteristics, we first identified the hazards to human health and performance common to all exploration missions: altered gravity, isolation/confinement, increased radiation, distance from Earth, and hostile/closed environment. Each hazard leads to a set of risks to crew health and/or performance. For example the radiation hazard leads to risks of acute radiation syndrome, central nervous system dysfunction, soft tissue degeneration, and carcinogenesis. Some of these risks (e.g., acute radiation syndrome) could affect crew health or performance during the mission, while others (e.g., carcinogenesis) would more likely affect the crewmember well after the mission ends. We next defined a set of design reference missions (DRM) that would span the range of exploration missions currently under consideration. In addition to standard (6-month) and long-duration (1-year) missions in low Earth orbit (LEO), these DRM include deep space sortie missions of 1 month duration, lunar orbital and landing missions of 1 year duration, deep space journey and asteroid landing missions of 1 year duration, and Mars orbital and landing missions of 3 years duration. We then assessed the likelihood and consequences of each risk against each DRM, using three levels of likelihood (Low: less than or equal to 0.1%; Medium: 0.1%–1.0%; High: greater than or equal to 1.0%) and four levels of consequence ranging from Very Low (temporary or insignificant) to High (death, loss of mission, or significant reduction to length or quality of life). Quantitative evidence from clinical, operational, and research sources were used whenever available. Qualitative evidence was used when quantitative evidence was unavailable. Expert opinion was used whenever insufficient evidence was available. Results: A set of 30 risks emerged that will require further mitigation efforts before being accepted by the Agency. The likelihood by consequence risk assessment process provided a means of prioritizing among the risks identified. For each of the high priority risks, a plan was developed to perform research, technology, or standards development thought necessary to provide suitable reduction of likelihood or consequence to allow agency acceptance. Conclusion: The HSRB process has successfully identified a complete set of risks to human space travelers on planned exploration missions based on the best evidence available today. Risk mitigation plans have been established for the highest priority risks. Each risk will be reassessed annually to track the progress of our risk mitigation efforts.

Paloski, W. H.↗

Computational optimal transport for molecular spectra: The semi-discrete case

Comparing a discrete molecular spectrum to a continuous molecular spectrum in a quantitative manner is a challenging problem, for example, when attempting to fit a theoretical stick spectrum to a continuous spectrum. In this paper, the use of computational optimal transport is investigated for such a problem. In the optimal transport literature, the comparison of a discrete and a continuous spectrum is referred to as semi-discrete optimal transport and is a situation where a metric such as least-squares may be difficult to define except under special conditions. The merits of an optimal transport approach for this problem are investigated using the transport distance defined for the semi-discrete case. A tutorial on semi-discrete optimal transport for molecular spectra is included in this paper, and several well-chosen synthetic spectra are investigated to demonstrate the utility of computational optimal transport for the semi-discrete case. Among several types of investigations, we include calculations showing how the frequency resolution of the continuous spectrum affects the transport distance between a discrete and a continuous spectrum. We also use the transport distance to measure the distance between a continuous experimental electronic absorption spectrum of SO 2 and a theoretical stick spectrum for the same system. The comparison of the theoretical and experimental SO 2 spectra also allows us to suggest a theoretical value for the band origin that is closer to the observed band origin than previous theoretical values.

74 ATOMIC AND MOLECULAR PHYSICS↗