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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 739 records · Page 41

Stereo-Based Region-Growing using String Matching

We present a novel stereo algorithm based on a coarse texture segmentation preprocessing phase. Matching is performed using a string comparison. Matching sub-strings correspond to matching sequences of textures. Inter-scanline clustering of matching sub-strings yields regions of matching texture. The shape of these regions yield information concerning object's height, width and azimuthal position relative to the camera pair. Hence, rather than the standard dense depth map, the output of this algorithm is a segmentation of objects in the scene. Such a format is useful for the integration of stereo with other sensor modalities on a mobile robotic platform. It is also useful for localization; the height and width of a detected object may be used for landmark recognition, while depth and relative azimuthal location determine pose. The algorithm does not rely on the monotonicity of order of image primitives. Occlusions, exposures, and foreshortening effects are not problematic. The algorithm can deal with certain types of transparencies. It is computationally efficient, and very amenable to parallel implementation. Further, the epipolar constraints may be relaxed to some small but significant degree. A version of the algorithm has been implemented and tested on various types of images. It performs best on random dot stereograms, on images with easily filtered backgrounds (as in synthetic images), and on real scenes with uncontrived backgrounds.

Mandelbaum, Robert↗

Solar mirror soiling and heliostat inspection from a mobile imaging system and mobile platform

A system or method for an imaging system is provided for inspecting a heliostat. The imaging system includes a platform and a camera mounted on the platform and a heliostat having a plurality of mirrored facets. The camera is positioned to acquire a first image that serves as a reference image and a second image that is a reflected image from at least one facet. The camera stores image data associated with the first image and the second image, and wirelessly transmits the stored image data to a computing apparatus. The computing apparatus compares the first image with the second image and determines a performance parameter associated with the heliostat.

Yellowhair, Julius↗

Optimal Control of the Energy-Saving Hybrid Hydraulic-Electric Architecture (HHEA) for Off-Highway Mobile Machines

Most off-highway constructions and agriculture equipment use hydraulics, which has unmatched power density, for power transmission and throttling as a means for control. A novel hybrid hydraulic-electric architecture (HHEA) has recently been proposed to improve efficiency for high-power machines that would have been cost-prohibitive to electrify directly. HHEA uses a set of common pressure rails (CPRs) to transmit the majority of power hydraulically and small electric motor drives to modulate that power and to achieve precise control. This article proposes a computationally efficient Lagrange multiplier method (LMM) for computing the optimal sequence of pressure rail selections to minimize energy use. This is needed to evaluate HHEA's energy-saving potential and for iterative architecture design and sizing. An interesting complication is that the cost function is not fully defined until the candidate control sequence is fully specified. This issue is dealt with by decomposing the original problem into a set of sub-problems with additional constraints that can be solved efficiently. Computational effort can be further reduced if actuators are optimized individually instead of together. However, additional steps are required to prevent the constraint functions from becoming discontinuous with respect to the Lagrange multipliers, which is necessary for meeting the constraints. Lastly, a case study of a construction machine demonstrates the efficacy of the method and shows that the HHEA reduces energy consumption by 68%-73% compared to the baseline load-sensing architecture.

Lagrange multiplier↗

Predictive momentum management for a space station measurement and computation requirements

An analysis is made of the effects of errors and uncertainties in the predicting of disturbance torques on the peak momentum buildup on a space station. Models of the disturbance torques acting on a space station in low Earth orbit are presented, to estimate how accurately they can be predicted. An analysis of the torque and momentum buildup about the pitch axis of the Dual Keel space station configuration is formulated, and a derivation of the Average Torque Equilibrium Attitude (ATEA) is presented, for the case of no MRMS (Mobile Remote Manipulation System) motion, Y vehicle axis MRMS motion, and Z vehicle axis MRMS motion. Results showed the peak momentum buildup to be approximately 20000 N-m-s and to be relatively insensitive to errors in the predicting torque models, for Z axis motion of the MRMS was found to vary significantly with model errors, but not exceed a value of approximately 15000 N-m-s for the Y axis MRMS motion with 1 deg attitude hold error. Minimum peak disturbance momentum was found not to occur at the ATEA angle, but at a slightly smaller angle. However, this minimum peak momentum attitude was found to produce significant disturbance momentum at the end of the predicting time interval.

Adams, John Carl↗

Resilient Disaster Recovery Logistics of Distribution Systems: Co-Optimize Service Restoration With Repair Crew and Mobile Power Source Dispatch

Repair crews (RCs) and mobile power sources (MPSs) are critical resources for distribution system (DS) outage management after a natural disaster. However, their logistics have not been well investigated. We propose a resilient scheme for disaster recovery logistics to co-optimize DS restoration with the dispatch of RCs and MPSs. A novel co-optimization model is formulated to route RCs and MPSs in the transportation network, schedule them in the DS, and reconfigure the DS for microgrid formation coordinately, etc. The model incorporates different timescales of DS restoration and RC/MPS dispatch, the coupling of transportation and power networks, etc. To ensure radiality of the DS with variable physical structure and MPS allocation, we also model topology constraints based on the concept of spanning forest. The model is convexified equivalently and linearized into a mixed-integer linear programming. To reduce its computation time, preprocessing methods are proposed to preassign a minimal set of repair tasks to depots and reduce the number of candidate nodes for MPS connection. Resilient recovery strategies thus are generated to enhance service restoration, especially by dynamic formation of microgrids that are powered by MPSs and topologized by repair actions of RCs and network reconfiguration of the DS. Case studies demonstrate the proposed methodology.

Disaster recovery logistics↗

Unconventional Charge Transport in MgCr 2 O 4 and Implications for Battery Intercalation Hosts

Ion transport in solid-state cathode materials prescribes a fundamental limit to the rates batteries can operate; therefore, an accurate understanding of ion transport is a critical missing piece to enable new battery technologies, such as magnesium batteries. Based on our conventional understanding of lithium-ion materials, MgCr 2 O 4 is a promising magnesium-ion cathode material given its high capacity, high voltage against an Mg anode, and acceptable computed diffusion barriers. Electrochemical examinations of MgCr 2 O 4 , however, reveal significant energetic limitations. Motivated by these disparate observations; herein, we examine long-range ion transport by electrically polarizing dense pellets of MgCr 2 O 4 . Our conventional understanding of ion transport in battery cathode materials, e.g., Nernst-Einstein conduction, cannot explain the measured response since it neglects frictional interactions between mobile species and their nonideal free energies. In this work, we propose an extended theory that incorporates these interactions and reduces to the Nernst-Einstein conduction under dilute conditions. This theory describes the measured response, and we report the first study of long-range ion transport behavior in MgCr 2 O 4 . We conclusively show that the Mg chemical diffusivity is comparable to lithium-ion electrode materials, whereas the total conductivity is rate-limiting. Given these differences, energy storage in MgCr 2 O 4 is limited by particle-scale voltage drops, unlike lithium-ion particles that are limited by concentration gradients. Future materials design efforts should consider the interspecies interactions described in this extended theory, particularly with respect to multivalent-ion systems and their resultant effects on continuum transport properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

FY24 Progress Report on Viscosity and Thermal Conductivity Measurements of Nuclear Industry Relevant Chloride Salts: An Experimental and Computational Study

As presented in this report, experimental and computational techniques were performed to assess the viscosity and thermal conductivity of key alkali and actinide chloride mixtures for molten salt reactor developers. These mixtures were pure LiCl, NaCl-KCl, LiCl-NaCl, LiCl-KCl, LiCl-NaCl-KCl, and NaCl-UCl 3 . Experimental measurements of viscosity were performed with a rolling ball viscometer, whereas experimental measurements of thermal conductivity were performed with a variable gap apparatus. Additional benchmarking work was performed using both property measurement systems to prepare for x-ray radiography in stainless-steel crucibles for viscosity and to ensure that calibration methods were accurate for thermal conductivity before assessing the NaCl-UCl 3 system. Validation data for the NaCl-UCl 3 in literature are minimal. Details on the calibration methods, salt measurement processes, and sources of error and uncertainty are discussed in detail for both property measurements. The computational methods described herein involved ab-initio molecular dynamics (AIMD) calculations using CP2K. The calculations were performed for the LiCl-KCl-NaCl and NaCl-UCl 3 systems. These calculations not only provided thermophysical property estimations for comparison to experimental data, but they also allowed for the determination of diffusion coefficients, coordination numbers, and radial distribution functions to provide insight into ion mobility and local coordination environments, which is linked to macroscopic property trends.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Aeolian Sediment Transport Pathways and Aerodynamics at Troughs on Mars

Interaction between wind regimes and topography can give rise to complex suites of aeolian landforms. This paper considers aeolian sediment associated wit11 troughs on Mars and identifies a wider range of deposit types than has previously been documented. These include wind streaks, falling dunes, "lateral" dunes, barchan dunes, linear dunes, transverse ridges, sand ramps, climbing dunes, sand streamers, and sand patches. The sediment incorporated into these deposits is supplied by wind streaks and ambient Planitia sources as well as originating within the trough itself, notably from the trough walls and floor. There is also transmission of sediment between d~~neTsh. e flow dynamics which account for the distribution of aeolian sediment have been modeled using two-dimensional computational fluid dynamics. The model predicts flow separation on the upwind side of the trough followed by reattachment and acceleration at the downwind margin. The inferred patterns of sediment transport compare well with the distribution of aeolian forms. Model data indicate an increase of wind velocity by approx. 30 % at the downwind trough margin. This suggests that the threshold wind speed necessary for sand mobilization on Mars will be more freq~~entmlye t in these inclined locations.

Bourke, Mary C.↗

Disentangling cation effects on ion mobility and structure in ionic liquid electrolytes

Ionic liquids (ILs) are low-temperature molten salts, where ion transport is primarily governed by ion–ion interactions. Yet, the impact of organic IL cations on critical electrolyte properties such as ion dissociation and overall transport behavior in lithium-salt-doped ILs remains poorly understood. Moreover, despite their critical role in designing IL-based electrolytes for energy storage applications, ion–ion interactions and ion-specific transport under an applied electrical potential are seldom quantified, largely due to the unique experimental and computational challenges involved. Herein, we compare transport properties obtained using 1 H, 7 Li, and 19 F pulsed-field gradient nuclear magnetic resonance (NMR) and electrophoretic NMR (eNMR) with those measured by electrochemical impedance spectroscopy. Non-equilibrium molecular dynamics (MD) simulations and eNMR confirm the presence of negatively charged [Li(TFSI) n ] (1−n) aggregates that migrate towards the positive electrode, resulting in negative lithium transference numbers. Equilibrium MD simulations reveal a vehicular Li ion transport mechanism facilitated by long-lived aggregates with Li + cations strongly bound to multiple TFSI − anions. Finally, we observe an inverse relationship between the apparent charge of the TFSI − anion in the neat IL, which is dictated by the IL cation, and Li + transport in the salt-doped systems. This highlights the opportunity to tune electrolyte performance by tailoring cation chemistry.

Li-ion batteries↗

Mobile Centers For Secondary Power Distribution

Concept for distribution of 60-Hz ac power in large building devoted to assembly and testing of equipment improves safety, reduces number of outlets and lengthy cables, and readily accommodates frequent changes in operations and configuration. Power from floor recess fed via unobtrusive cable to portable power management center. A cart containing variety of outlets and circuit breakers, wheeled to convenient location near equipment to be assembled or tested. Power distribution system presents larger range of operational configurations than fixed location. Meets tighter standards to feed computers and delicate instruments. Industrial-grade power suitable for power tools and other hardware. Three-phase and single-phase outlets available from each.

Mears, Robert L.↗

Extending Dynamic Range for Untargeted Ion Mobility-MS Workflows

Preprocessing and identification algorithms can boost the quality and reproducibility of results in untargeted ion mobility (IM)-MS workflows. For this CRADA we developed two methods for pre-processing to improve the quality of Agilent metabolomics data: i) a new saturation repair preprocessing method and ii) multi-dimensional smoothing.

97 MATHEMATICS AND COMPUTING↗

Classification of ion mobility spectra by functional groups using neural networks

Neural networks were trained using whole ion mobility spectra from a standardized database of 3137 spectra for 204 chemicals at various concentrations. Performance of the network was measured by the success of classification into ten chemical classes. Eleven stages for evaluation of spectra and of spectral pre-processing were employed and minimums established for response thresholds and spectral purity. After optimization of the database, network, and pre-processing routines, the fraction of successful classifications by functional group was 0.91 throughout a range of concentrations. Network classification relied on a combination of features, including drift times, number of peaks, relative intensities, and other factors apparently including peak shape. The network was opportunistic, exploiting different features within different chemical classes. Application of neural networks in a two-tier design where chemicals were first identified by class and then individually eliminated all but one false positive out of 161 test spectra. These findings establish that ion mobility spectra, even with low resolution instrumentation, contain sufficient detail to permit the development of automated identification systems.

Non-NASA Center↗

Tuning Optical Properties of Conjugated Molecules by Lewis Acids: Insights from Electronic Structure Modeling

Understanding and controlling the optoelectronic properties of organic semiconductors at the molecular level remains a challenge due to the complexity of chemical structures and intermolecular interactions. A common strategy to address this challenge is to utilize both experimental and computational approaches. In this contribution, we show that density functional theory (DFT) calculation is a useful tool to provide insights into the bonding, electron population distribution, and optical transitions of adducts between conjugated molecules and Lewis acids (CM-LA). Adduct formation leads to relevant modifications of key properties, including a red shift in optical transitions and an increase in charge carrier density and charge mobility, compared to the parent conjugated molecules. We show that electron density transfer from the CM to the LA, which was hypothesized to cause the experimental red shift in absorption spectra upon LA binding, can be quantified and interpreted by population analysis. Experimental red shifts in optical transitions for all molecular families can also be predicted by time dependent DFT calculations with different density functionals. Finally, these detailed insights help to optimize a priori design guidelines for future applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Strongly correlated perovskite lithium ion shuttles

Solid-state ion shuttles are of broad interest in electrochemical devices, nonvolatile memory, neuromorphic computing, and biomimicry utilizing synthetic membranes. Traditional design approaches are primarily based on substitutional doping of dissimilar valent cations in a solid lattice, which has inherent limits on dopant concentration and thereby ionic conductivity. Here, we demonstrate perovskite nickelates as Li-ion shuttles with simultaneous suppression of electronic transport via Mott transition. Electrochemically lithiated SmNiO 3 (Li-SNO) contains a large amount of mobile Li + located in interstitial sites of the perovskite approaching one dopant ion per unit cell. A significant lattice expansion associated with interstitial doping allows for fast Li + conduction with reduced activation energy. We further present a generalization of this approach with results on other rare-earth perovskite nickelates as well as dopants such as Na + . The results highlight the potential of quantum materials and emergent physics in design of ion conductors.

36 MATERIALS SCIENCE↗

A new family of transcriptional regulators of tungstoenzymes and molybdate/tungstate transport

Bacterial genes for molybdenum-containing and tungsten-containing enzymes are often differentially regulated depending on the metal availability in the environment. Here in this paper, we describe a new family of transcription factors with an unusual DNA-binding domain related to excisionases of bacteriophages. These transcription factors are associated with genes for various molybdate and tungstate-specific transporting systems as well as molybdo/tungsto-enzymes in a wide range of bacterial genomes. We used a combination of computational and experimental techniques to study a member of the TF family, named TaoR (for tungsten-containing aldehyde oxidoreductase regulator). In Desulfovibrio vulgaris Hildenborough, a model bacterium for sulfate reduction studies, TaoR activates expression of aldehyde oxidoreductase aor and represses tungsten-specific ABC-type transporter tupABC genes under tungsten-replete conditions. TaoR binding sites at aor promoter were identified by electrophoretic mobility shift assay and DNase I footprinting. We also reconstructed TaoR regulons in forty five Deltaproteobacteria by comparative genomics approach and predicted target genes for TaoR family members in other Proteobacteria and Firmicutes.

59 BASIC BIOLOGICAL SCIENCES↗

A contribution to laser range imaging technology

The goal of the project was to develop a methodology for fusion of a Laser Range Imaging Device (LRID) and camera data. Our initial work in the project led to the conclusion that none of the LRID's that were available were sufficiently adequate for this purpose. Thus we spent the time and effort on the development of the new LRID with several novel features which elicit the desired fusion objectives. In what follows, we describe the device developed and built under contract. The Laser Range Imaging Device (LRID) is an instrument which scans a scene using a laser and returns range and reflection intensity data. Such a system would be extremely useful in scene analysis in industry and space applications. The LRID will be eventually implemented on board a mobile robot. The current system has several advantages over some commercially available systems. One improvement is the use of X-Y galvonometer scanning mirrors instead of polygonal mirrors present in some systems. The advantage of the X-Y scanning mirrors is that the mirror system can be programmed to provide adjustable scanning regions. For each mirror there are two controls accessible by the computer. The first is the mirror position and the second is a zoom factor which modifies the amplitude of the position of the parameter. Another advantage of the LRID is the use of a visible low power laser. Some of the commercial systems use a higher intensity invisible laser which causes safety concerns. By using a low power visible laser, not only can one see the beam and avoid direct eye contact, but also the lower intensity reduces the risk of damage to the eye, and no protective eyeware is required.

Defigueiredo, Rui J. P.↗

Airfoil Table Generation and Validation for the VR-12 and SSC-A09 Airfoils and Quadrotor Performance Prediction

As part of NASA’s Urban Air Mobility (UAM) mission, the Revolutionary Vertical Lift Technology (RVLT) project is creating rotorcraft reference designs that can be used by the rotorcraft community to develop quiet, efficient, and safer air vehicles. At NASA, this effort is made possible by the use of the RVLT toolchain software. Airfoil tables are often a critical part of the conceptual design process as they inform both comprehensive analysis and Computational Fluid Dynamics (CFD) codes of 2D aerodynamic coefficients, such as lift, drag, and moment coefficients. These airfoil tables, typically generated during experimental testing, are often proprietary and thus not widely distributable; further, there is not always clear or available reference documentation that provides information on the test conditions. The airfoil tables from these experiments are referred to in this work as Legacy airfoil tables. The scope of this study is to generate airfoil tables with the NASA OVERset grid CFD FLOW solver (OVERFLOW) coupled with the AirFoil Table Generator (AFTGen) software and validate these airfoil tables based on performance predictions calculated in Comprehensive Hierarchical Aeromechanics Rotorcraft Model (CHARM). The overall goal is to provide CFD generated airfoil tables, validate them through comprehensive analysis, and publish the airfoil tables for public distribution. The RVLT quadrotor reference model was selected as the basis for all analyses. The quadrotor uses the VR-12 and SSC-A09 airfoils for its rotor blades. Simulations were run in OVERFLOW for the VR-12 and SSC-A09 airfoils for ±20° angles of attack, Mach numbers from 0.3 to 1.0, and a Reynolds-Mach proportionality constant of 1.023x107. The C81 format airfoil tables from AFTGen were then blended with Legacy NACA 0012 airfoil table data for ±20° to ±180° angle of attack range. CHARM was used to compute thrust coefficient, power coefficient, and figure of merit for an isolated rotor in hover using proprietary legacy airfoil tables for the VR-12 and SSC-A09, as well as with the OVERFLOW generated airfoil tables for the VR-12 and SSC-A09. Overall, the OVERFLOW and Legacy performance predictions agreed well, with the best correlation between simulated and Legacy data observed with the VR-12 airfoil tables.

Airfoil↗

A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning

A combination of machine learned interatomic potentials (MLIPs) and enhanced sampling simulations is used to investigate the activation of methane on a Ni(111) surface. The work entails the development and iterative refinement of MLIPs, initially trained on a dataset constructed via ab initio molecular dynamics (AIMD) simulations, supplemented by adaptive biasing forces, to enrich the sampling of catalytically relevant configurations. Our results reveal that by incorporating collective variables that capture the behavior of the reactant molecule, as well as additional frames that describe the dynamic response of the catalytic surface, it is possible to enhance considerably the accuracy of predicted energies and forces. By employing enhanced sampling schemes in the refinement of the MLIP, we systematically explore the potential energy surface, leading to a refined MLIP capable of predicting DFT-level energies and forces and replicating key geometric characteristics of the catalytic system. The resulting free energy landscapes at several temperatures provide a detailed view of the thermodynamics and dynamics of methane activation. Specifically, as methane approaches and dissociates on the catalytic surface, the process involves the dynamic interplay of CH 4 and the Ni catalyst that includes both enthalpic and entropic contributions. The progression towards the transition state involves an CH 4 moiety that is increasingly restrained in its ability to rotate or translate, while the stage following the transition state is characterized by a notable rise of the Ni atom that interacts with the cleaved C–H bond. Furthermore, this leads to an increase in the mobility of the adsorbed species, a feature that becomes more pronounced at higher temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗