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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 505 records · Page 28

Managing Data From Signal-Propagation Experiments

Computer programs generate characteristic plots from amplitudes and phases. Software system enables minicomputer to process data on amplitudes and phases of signals received during experiments in ground-mobile/satellite radio propagation. Takes advantage of file-handling capabilities of UNIX operating system and C programming language. Interacts with user, under whose guidance programs in FORTRAN language generate plots of spectra or other curves of types commonly used to characterize signals. FORTRAN programs used to process file-handling outputs into any of several useful forms.

Kantak, A. V.↗

Lighting Condition Analysis for Mars Moon Phobos

A manned mission to Phobos may be an important precursor and catalyst for the human exploration of Mars, as it will fully demonstrate the technologies for a successful Mars mission. A comprehensive understanding of Phobos' environment such as lighting condition and gravitational acceleration are essential to the mission success. The lighting condition is one of many critical factors for landing zone selection, vehicle power subsystem design, and surface mobility vehicle path planning. Due to the orbital characteristic of Phobos, the lighting condition will change dramatically from one Martian season to another. This study uses high fidelity computer simulation to investigate the lighting conditions, specifically the solar radiation flux over the surface, on Phobos. Ephemeris data from the Jet Propulsion Laboratory (JPL) DE405 model was used to model the state of the Sun, the Earth, and Mars. An occultation model was developed to simulate Phobos' self-shadowing and its solar eclipses by Mars. The propagated Phobos' state was compared with data from JPL's Horizon system to ensure the accuracy of the result. Results for Phobos lighting condition over one Martian year are presented in this paper, which include length of solar eclipse, average solar radiation intensity, surface exposure time, total maximum solar energy, and total surface solar energy (constrained by incident angle). The results show that Phobos' solar eclipse time changes throughout the Martian year with the maximum eclipse time occurring during the Martian spring and fall equinox and no solar eclipse during the Martian summer and winter solstice. Solar radiation intensity is close to minimum at the summer solstice and close to maximum at the winter solstice. Total surface exposure time is longer near the north pole and around the anti- Mars point. Total maximum solar energy is larger around the anti-Mars point. Total surface solar energy is higher around the anti-Mars point near the equator. The results from this study and others like it will be important in determining landing site selection, vehicle system design and mission operations for the human exploration of Phobos and subsequently Mars.

Li, Zu Qun↗

Wake Vortex Effects Between Urban Air Mobility Aircraft

This study models the wake-induced downwash of an Urban Air Mobility (UAM) aircraft and the wake’s effects on a trailing aircraft’s dynamic stability when intersecting the wake trail. The Proctor wake vortex model is used to compute the wake-induced downwash over a 0.8 × 0.8 nautical mile flight area. The model is complemented by core radius growth, Proctor single phase wake decay, wake propagation, and Lamb wake aging. The wake data is then stored and loaded to the trailing aircraft as an atmospheric condition to affect the dynamics. Preliminary simulations include modeling the downwash from multiple UAM aircraft over the flight area and determining the normalized wake reduction at the ICAO 5 nautical mile separation criteria for a LIGHT aircraft trailing a MEDIUM aircraft.

Wake Vortex↗

Implications of stop-and-go traffic on training learning-based car-following control

Learning-based car-following control (LCC) of connected and autonomous vehicles (CAVs) is gaining significant attention with the advancement of computing power and data accessibility. While the flexibility and large model capacity of model-free architecture enable LCC to potentially outperform the model-based car-following (CF) model in improving traffic efficiency and mitigating congestion, the generalizability of LCC for traffic conditions different from the training environment/dataset is not well-understood. Herein, this study seeks to explore the impact of stop-and-go traffic in the training dataset on the generalizability of LCC. It uses the characteristics of lead vehicle trajectories to describe stop-and-go traffic, and links the theory of identifiability (i.e., obtaining a unique parameter estimation result using sensor measurements) to the generalizability of behavior cloning (BC) and policy-based deep reinforcement learning (DRL). Correspondingly, the study shows theoretically that: (i) stop-and-go traffic can enable the property of identifiability and enhance the control performance of BC-based LCC in different traffic conditions; (ii) stop-and-go traffic is not necessary for DRL-based LCC to generalize to different traffic conditions; (iii) DRL-based LCC trained with only constant-speed lead vehicle trajectories (not sufficient to ensure identifiability) can be generalized to different traffic conditions; and (iv) stop-and-go traffic increases variance in the training dataset, which improves the convergence of parameter estimation while negatively impacting the convergence of DRL to the optimal control policy. Numerical experiments validate the above findings, illustrating that BC-based LCC entails comprehensive training datasets for generalizing to different traffic conditions, while DRL-based LCC can achieve generalization with simple free-flow traffic training environments. This further suggests DRL as a more promising and cost-effective LCC approach to reduce operational costs, mitigate traffic congestion, and enhance safety and mobility, which can accelerate the deployment and acceptance of CAVs.

33 ADVANCED PROPULSION SYSTEMS↗

Quantum Technologies for UAS (QTech)

Harness the power of quantum technologies to assure the availability of UAS communications against disruptions. Make use of quantum computing (e.g. quantum optimization) and quantum communication (e.g. quantum key distribution) to address the availability cybersecurity challenge. Our approach is three-fold: (1) Utilize quantum optimization algorithms to design robust network with routing redundancy that can respond adaptively to dynamically changing real-time environment and disruptions, (2) Utilize quantum optimization algorithms resource allocation for detection, localization, and tracking of mobile communication disruption agents, (3) Utilize quantum key distribution (QKD) to execute secure key sharing in high data rate optical communication and/or anti-jamming protocols for secure RF communication.

Quantum Computing↗

The CanBikeCO Mini Pilot: Preliminary Results and Lessons Learned

In fall 2020, the Colorado Energy Office, as part of the State of Colorado’s “Can Do Colorado” initiative, initiated a project aimed at encouraging energy-efficient transportation during the COVID-19 pandemic. The initial mini-pilot provided e-bikes to 13 low-income households under an individual ownership model. This report assesses the impact of providing this additional mobility option on the travel behavior of participants. It also outlines the lessons learned from deploying a continuous monitoring platform to track the travel behavior. These lessons will influence the evaluation component for the full pilot, which will cover multiple geographic regions, starting in summer 2021, and run for 2 years. The continuous data collection was enabled by a customized version of the open-source e-mission platform, called CanBikeCO, configured with a behavioral gamification feature. The Colorado Energy Office used this system to collect a unique data set consisting of 3 months of partially automated travel diaries, combining sensed and surveyed data and linked with demographic information, from 12 participants. The data collection process worked well overall: users generally liked the app, appreciated the game, and did not complain about battery life. The long tracking period introduced behavioral challenges in user engagement, which we plan to address using repeated patterns and automated status checks for the full pilot. The analysis results, based on the subset of trips with user-reported labels (68%), indicate that the e-bike was the dominant commute mode share (31%), in sharp contrast to the census bicycle commute mode share (<1%). E-bike trips primarily replaced single-occupancy vehicle (SOV) trips (28%), followed closely by walking (24%) and regular bike (20%). The nonmotorized mode replacement corresponds to lower travel time and increased productivity enabled by the program. The emissions impact analysis of the program, computed using trip-level energy intensity factors, indicates savings of 1,367 lbs. of CO 2 . Although the results are strongly positive, the narrow demographic profile of study participants, their limited mobility alternatives, and nonuniform labeling indicate caution in broader interpretation. These preliminary results do suggest that such programs, supported by real-time education and support from program managers, can simultaneously meet equity and sustainability goals. The planned full pilot, addressing the data collection challenges and broadening the geographic scope, will provide additional insights into the generality of this approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Algorithms and file structures to enhance software workflows for ion mobility mass spectrometry (IM-MS): CRADA 410 (Final Report)

This document is the final report for CRADA 410 (Project No. 72496). The purpose of this project was supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based metabolite characterization. PNNL worked with Agilent to evaluate and improve the integration of ion mobility into existing MS data analysis methods of Agilent software tools. The project augmented PNNL’s capabilities to analyze complex omics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

97 MATHEMATICS AND COMPUTING↗

Refining PeakDecoder Version 2

Novel computational tools for processing multidimensional mass spectrometry (MS) data are necessary to enable deeper and automated detection and quantification of metabolites in complex backgrounds. Multidimensional MS data includes measurements from liquid chromatography (LC) and ion mobility spectrometry (IM) separations, and precursor and fragment ion spectra collected in data-independent acquisition (DIA) mode. PeakDecoder is an artificial intelligence (AI)-based software that enables automated interpretation of this kind of data to identify and quantify individual metabolites in complex mixtures. The goal of this project was to improve and re-implement PeakDecoder in a better suited programming language to enable its commercialization.

97 MATHEMATICS AND COMPUTING↗

Trellis coding techniques for mobile communications

A criterion for designing optimum trellis codes to be used over fading channels is given. A technique is shown for reducing certain multiple trellis codes, optimally designed for the fading channel, to conventional (i.e., multiplicity one) trellis codes. The computational cutoff rate R0 is evaluated for MPSK transmitted over fading channels. Examples of trellis codes optimally designed for the Rayleigh fading channel are given and compared with respect to R0. Two types of modulation/demodulation techniques are considered, namely coherent (using pilot tone-aided carrier recovery) and differentially coherent with Doppler frequency correction. Simulation results are given for end-to-end performance of two trellis-coded systems.

Divsalar, D.↗

Trajectory Planning and Online Performance Model Estimation for Advanced Air Mobility

We propose a framework for adaptive guidance based on optimal control and estimation using closed-loop performance models. In the proposed approach, parameters of a reduced-order performance model are estimated in real time so that trajectories and guidance commands are replanned with more accurate knowledge of the system's response and performance capabilities. To apply this methodology to flight control systems, we introduce a simple yet expressive performance model modified from a reference linear design model. The proposed framework is applied to guidance of a simulated Advanced Air Mobility class concept aircraft experiencing control effector failures. We demonstrate that, by optimizing performance model parameters in real time, guidance commands can be intelligently adjusted to recover system stability and the performance of a full-order vehicle model, even in the event of effector failures. Furthermore, the reduced-order performance model requires a fraction of the computational cost of the full-order model, facilitating real-time use of adaptive, optimal guidance.

Differential dynamic programming↗

Trajectory Planning and Online Performance Model Estimation for Advanced Air Mobility

We propose a framework for adaptive guidance based on optimal control and estimation using closed-loop performance models. In the proposed approach, parameters of a reduced-order performance model are estimated in real time so that trajectories and guidance commands are replanned with more accurate knowledge of the system's response and performance capabilities. To apply this methodology to flight control systems, we introduce a simple yet expressive performance model modified from a reference linear design model. The proposed framework is applied to guidance of a simulated Advanced Air Mobility class concept aircraft experiencing control effector failures. We demonstrate that, by optimizing performance model parameters in real time, guidance commands can be intelligently adjusted to recover system stability and the performance of a full-order vehicle model, even in the event of effector failures. Furthermore, the reduced-order performance model requires a fraction of the computational cost of the full-order model, facilitating real-time use of adaptive, optimal guidance.

Differential dynamic programming↗

The amorphization of 3C-SiC irradiated at moderately elevated temperatures as revealed by X-ray diffraction

Mechanisms of radiation damage buildup in 3C-SiC remain poorly understood. Here, we use X-ray diffraction in combination with numerical simulations to study depth profiles of radiation-produced strain and lattice damage in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal increased defect recombination with increasing temperature, with a critical amorphization fluence increasing from 0.17 to 0.44 displacements per atom. The amorphization process is found to be correlated with the evolution of lattice strain. We find that, at fluences corresponding to the onset of amorphization, lattice strain is ~2% and is independent of temperature. With continuing bombardment above the onset of amorphization, the strain in the crystal bulk increases and reaches a saturation value that decreases from 7% to 5% with increasing temperature. Based on strain profiles, we compute depth profiles of the effective concentration of point defect clusters in the crystalline phase. Bombardment at higher temperatures results in lower maximum defect concentrations pointing to enhanced defect mobility.

36 MATERIALS SCIENCE↗

First-principles simulations of 2-D semiconductor devices: Mobility, I-V characteristics, and contact resistance

We report in this paper ab-initio quantum transport simulations of different types of single-layer 2-D semiconductors: transition metal and group IV dichalcogenides in the 2H or 1T phase as well as black phosphorus. The electron and hole phonon-limited mobilities of eight selected 2-D crystals are first analyzed before using these materials as n- or p-type channels of ultra-scaled single-gate transistors, computing their I-V characteristics in the presence of electron-phonon scattering, and comparing them to each other. Finally, the properties of metal-MoS 2 contacts are investigated. It is revealed that the current tends to flow at the edge of the metal layer before entering the semiconductor, thus limiting the injection efficiency.

Luisier, M.↗

AI Driven Optimization of Public Transit

This project explores the application of AI-driven methods to optimize public transit operations for the Chattanooga Area Regional Transportation Authority (CARTA). By leveraging data analytics, machine learning, and predictive modeling, the initiative seeks to enhance system efficiency, improve rider experience, and support sustainability goals. This research, supported by the National Science Foundation and the U.S. Department of Energy, integrates real-time transit data with advanced computational tools to inform decision-making, optimize routes, and balance operational demands. The work exemplifies a forward-looking model for mid-sized cities aiming to modernize mobility systems through intelligent technology integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)2] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy

Portlandite [Ca(OH) 2 ] is a potentially dominant solid phase in the high pH fluids expected within the cementitious engineered barriers of Geological Disposal Facilities (GDF). This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. Such data are fundamental for predicting radionuclide mass transfer. Surface coordination chemistry and speciation of uranium with portlandite [Ca(OH) 2 ] under alkaline groundwater conditions (ca. pH 12) were determined by both in situ and ex situ grazing incidence extended X-ray absorption fine structure analysis (EXAFS) and by computational modelling at the atomic level. Free energies of sorption of aqueous uranyl hydroxides, [UO 2 (OH) n ] 2–n (n = 0–5) with the (001), (100) and (203) or (101) surfaces of portlandite are predicted from the potential of mean force using classical molecular umbrella sampling simulation methods and the structural interactions are further explored using fully periodic density functional theory computations. Although uranyl is predicted to only weakly adsorb to the (001) and (100) clean surfaces, there should be significantly stronger interactions with the (203/101) surface or at hydroxyl vacancies, both prevalent under groundwater conditions. The uranyl surface complex is typically found to include four equatorially coordinated hydroxyl ligands, forming an inner-sphere sorbate by direct interaction of a uranyl oxygen with surface calcium ions in both the (001) and (203/101) cases. In contrast, on the (100) surface, uranyl is sorbed with its axis more parallel to the surface plane. The EXAFS data are largely consistent with a surface structural layer or film similar to calcium uranate, but also show distinct uranyl characteristics, with the uranyl ion exhibiting the classic dioxygenyl oxygens at 1.8 Å and between four and five equatorial oxygen atoms at distances between 2.28 and 2.35 Å from the central U absorber. These experimental data are wholly consistent with the adsorbate configuration predicted by the computational models. These findings suggest that, under the strongly alkaline conditions of a cementitious backfill engineered barrier, there would be significant uptake of uranyl by portlandite to inhibit the mobility of U(VI) from the near field of a geological disposal facility.

36 MATERIALS SCIENCE↗

Intelligent robots for planetary exploration and construction

Robots capable of practical applications in planetary exploration and construction will require realtime sensory-interactive goal-directed control systems. A reference model architecture based on the NIST Real-time Control System (RCS) for real-time intelligent control systems is suggested. RCS partitions the control problem into four basic elements: behavior generation (or task decomposition), world modeling, sensory processing, and value judgment. It clusters these elements into computational nodes that have responsibility for specific subsystems, and arranges these nodes in hierarchical layers such that each layer has characteristic functionality and timing. Planetary exploration robots should have mobility systems that can safely maneuver over rough surfaces at high speeds. Walking machines and wheeled vehicles with dynamic suspensions are candidates. The technology of sensing and sensory processing has progressed to the point where real-time autonomous path planning and obstacle avoidance behavior is feasible. Map-based navigation systems will support long-range mobility goals and plans. Planetary construction robots must have high strength-to-weight ratios for lifting and positioning tools and materials in six degrees-of-freedom over large working volumes. A new generation of cable-suspended Stewart platform devices and inflatable structures are suggested for lifting and positioning materials and structures, as well as for excavation, grading, and manipulating a variety of tools and construction machinery.

Albus, James S.↗

Rapid Assessment of Contrast Sensitivity with Mobile Touch-screens

The availability of low-cost high-quality touch-screen displays in modern mobile devices has created opportunities for new approaches to routine visual measurements. Here we describe a novel method in which subjects use a finger swipe to indicate the transition from visible to invisible on a grating which is swept in both contrast and frequency. Because a single image can be swiped in about a second, it is practical to use a series of images to zoom in on particular ranges of contrast or frequency, both to increase the accuracy of the measurements and to obtain an estimate of the reliability of the subject. Sensitivities to chromatic and spatio-temporal modulations are easily measured using the same method. We will demonstrate a prototype for Apple Computer's iPad-iPod-iPhone family of devices, implemented using an open-source scripting environment known as QuIP (QUick Image Processing,

mobile devices↗

Toward the predictive discovery of ambipolarly dopable ultra-wide-band-gap semiconductors: The case of rutile GeO 2

Ultrawide-band-gap (UWBG) semiconductors are promising for fast, compact, and energy-efficient power-electronics devices. Their wider band gaps result in higher breakdown electric fields that enable high-power switching with a lower energy loss. Yet, the leading UWBG semiconductors suffer from intrinsic materials' limitations with regard to their doping asymmetry that impedes their adoption in CMOS technology. Improvements in the ambipolar doping of UWBG materials will enable a wider range of applications in power electronics as well as deep-UV optoelectronics. These advances can be accomplished through theoretical insights on the limitations of current UWBG materials coupled with the computational prediction and experimental demonstration of alternative UWBG semiconductor materials with improved doping and transport properties. As an example, we discuss the case of rutile GeO2 (r-GeO 2 ), a water-insoluble GeO 2 polytype, which is theoretically predicted to combine an ultra-wide gap with ambipolar dopability, high carrier mobilities, and a higher thermal conductivity than β-Ga 2 O 3 . The subsequent realization of single-crystalline r-GeO 2 thin films by molecular beam epitaxy provides the opportunity to realize r-GeO 2 for electronic applications. Future efforts toward the predictive discovery and design of new UWBG semiconductors include advances in first-principles theory and high-performance computing software, as well as the demonstration of controlled doping in high-quality thin films with lower dislocation densities and optimized film properties.

36 MATERIALS SCIENCE↗