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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Local and global scattering properties of the interplanetary medium obtained from Solar Energetic Particles (SEPs)

Solar energetic particles can be used as probes for the turbulence level in the interplanetary medium. It is of general interest to compare the LOCAL scattering properties near an observer with GLOBAL properties which characterize the average scattering along the magnetic field. We discuss various methods by which the scattering conditions can be determined: (1) overall fits of observed particle intensities and anisotropies to a transport model; (2) evaluation of the steady-state pitch angle distribution; and (3) suitably normalized angular distributions during the intensity maximum of a particle event. Energetic particle data from HELIOS 1/2 are analyzed, and the mean free paths obtained with the different methods are compared with each other. As a result one can state: (1) for a number of solar particle events the radial mean free path is essentially constant between the Sun and Helios; and (2) large variations in the degree of scattering exist from one event to the other. These results indicate the existence of 'regimes' where the amount of particle scattering is relatively constant over extended regions in radius and azimuth, but with marked differences from one regime to the other.

Wibberenz, G.↗
NASA NTRS2016

Coupled CFD-PBE Predictions of Renal Stone Size Distributions in the Nephron in Microgravity

In this paper, a deterministic model is developed to assess the risk of critical renal stone formation for astronauts during space travel. A Population Balance Equation (PBE) model is used to compute the size distribution of a population of nucleating, growing and agglomerating renal calculi as they are transported through different sections of the nephron. The PBE model is coupled to a Computational Fluid Dynamics (CFD) model that solves for steady state flow of urine and transport of renal calculi along with the concentrations of ionic species, calcium and oxalate, in the nephron using an Eulerian two-phase mathematical framework. Parametric simulation are performed to study stone size enhancement and steady state volume fraction distributions in the four main sections of the nephron under weightlessness conditions. Contribution of agglomeration to the stone size distribution and effect of wall friction on the stone volume fraction distributions are carefully examined. Case studies using measured astronaut urinary calcium and oxalate concentrations in microgravity as input indicate that under nominal conditions the largest stone sizes developed in Space will be still considerably below the critical range for problematic stone development. However, results also indicate that the highest stone volume fraction occurs next to the tubule and duct walls. This suggests that there is an increased potential for wall adhesion with the possibility of evolution towards critical stone sizes.

Microgravity↗
NASA NTRS2016

Coupled CFD-PBE Predictions of Renal Stone Size Distributions in the Nephron in Microgravity

In this paper, a deterministic model is developed to assess the risk of critical renal stone formation for astronauts during space travel. A Population Balance Equation (PBE) model is used to compute the size distribution of a population of nucleating, growing and agglomerating renal calculi as they are transported through different sections of the nephron. The PBE model is coupled to a Computational Fluid Dynamics (CFD) model that solves for steady state flow of urine and transport of renal calculi along with the concentrations of ionic species, calcium and oxalate, in the nephron using an Eulerian two-phase mathematical framework. Parametric simulation are performed to study stone size enhancement and steady state volume fraction distributions in the four main sections of the nephron under weightlessness conditions. Contribution of agglomeration to the stone size distribution and effect of wall friction on the stone volume fraction distributions are carefully examined. Case studies using measured astronaut urinary calcium and oxalate concentrations in microgravity as input indicate that under nominal conditions the largest stone sizes developed in Space will be still considerably below the critical range for problematic stone development. However, results also indicate that the highest stone volume fraction occurs next to the tubule and duct walls. This suggests that there is an increased potential for wall adhesion with the possibility of evolution towards critical stone sizes.

Crystal Growth↗
DOE OSTI2025

Ensemble‐Based Spatially Distributed CLM5 Hydrological Parameter Estimation for the Continental United States

Abstract One of the major challenges in large‐domain hydrological modeling efforts lies in the estimation of spatially distributed hydrological parameters while simultaneously accounting for their associated uncertainties. Addressing this challenge is particularly difficult in ungauged locations. With growing societal demands for large‐scale streamflow projections to inform water resource management and long‐term planning, evaluating and constraining hydrological parameter uncertainty is increasingly vital. This study introduces a hybrid regionalization approach to enhance hydrological predictions of the Community Land Model version 5 (CLM5) across the Continental United States (CONUS), with a total of 50,629 1/8° grid cells. This hybrid method combines the strengths of two existing techniques: parameter regionalization and streamflow signature regionalization. It identifies ensemble behavioral parameters for each 1/8° grid cell across the CONUS domain, tailored to three distinct streamflow signatures focused on low flows, high flows, and annual water balance. Evaluating this hybrid method for 464 CAMELS (Catchment Attributes and Meteorology for Large‐sample Studies) basins demonstrates a significant improvement in CLM5 hydrological predictions, even in challenging arid regions. In CONUS applications, the derived spatially distributed parameter sets capture both spatial continuity and variation of parameters, highlighting their heterogeneous nature within specific regions. Overall, this hybrid regionalization approach offers a promising solution to the complex task of improving hydrological modeling over large domains for important hydrological applications.

CLM5↗
DOE OSTI2023

Impact of Actinide Complexation on Ligand Radiolysis

Although the actinides boast many unique physical and chemical properties, their inherent susceptibility to radioactive decay are what make them truly interesting elements to study. The absorption of ionizing radiation from actinide decay leads to the formation of a variety of transient and steady-state radicals, ions, and molecular radiolysis products that can lead to significant changes in the surrounding environment, and ultimately dictate steady-state actinide redox distributions and the longevity of molecules designed for actinide complexation. Radiolysis of the latter leads to complexant destruction and the concomitant formation of degradation products that can complicate actinide studies and processes. However, the radiation chemistry of most actinide complexants have been studied in the absence of the actinides they were designed to complex, which can lead to inaccurate conclusions on longevity and degradation product distributions, as metal ion complexation has been historically shown to influence a ligand’s radiolytic behavior. Consequently, bridging this knowledge gap is important for actinide science. Here, I will discuss the impact of actinide complexation on the steady-state and time-resolved radiation-induced reactivity of a variety of complexants, including, tributyl phosphate (TBP) and N,N,N',N'-tetraoctyl diglycolamide (TODGA) .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Maximum Entropy Principle in Deep Thermalization and in Hilbert-Space Ergodicity

We report universal statistical properties displayed by ensembles of pure states that naturally emerge in quantum many-body systems. Specifically, two classes of state ensembles are considered: those formed by (i) the temporal trajectory of a quantum state under unitary evolution or (ii) the quantum states of small subsystems obtained by partial, local projective measurements performed on their complements. These cases, respectively, exemplify the phenomena of “Hilbert-space ergodicity” and “deep thermalization.” In both cases, the resultant ensembles are defined by a simple principle: The distributions of pure states have maximum entropy, subject to constraints such as energy conservation, and effective constraints imposed by thermalization. We present and numerically verify quantifiable signatures of this principle by deriving explicit formulas for all statistical moments of the ensembles, proving the necessary and sufficient conditions for such universality under widely accepted assumptions, and describing their measurable consequences in experiments. We further discuss information-theoretic implications of the universality: Our ensembles have maximal information content while being maximally difficult to interrogate, establishing that generic quantum state ensembles that occur in nature hide (scramble) information as strongly as possible. Our results generalize the notions of Hilbert-space ergodicity to time-independent Hamiltonian dynamics and deep thermalization from infinite to finite effective temperature. Our work presents new perspectives to characterize and understand universal behaviors of quantum dynamics using statistical and information-theoretic tools.

Eigenstate thermalization↗
DOE OSTI2026

Controlled Placement of Trivalent Heteroatoms in MFI Zeolite Frameworks Using Structure-Directing Agents

MFI zeolites contain distinct confining pore environments, either smaller (∼0.55 nm) channels or larger (∼0.70 nm) intersections. The substitution of trivalent heteroatoms generates Brønsted acid sites of varying acid strength, which, together with their location within different pore environments, dictates the stability of transition states via electrostatic (ion-pair) and van der Waals interactions. Here, we report that structure-directing agents (SDAs) that control Al 3+ substitutional patterns during MFI crystallization analogously position other trivalent heteroatoms (Ga 3+ , Fe 3+ , B 3+ ), altering the distribution of acid sites between channels and intersections, as probed by low-temperature (403 K) toluene methylation kinetics. Heteroatom-substituted MFI crystallized with tetrapropylammonium result in low selectivity toward p-xylene (<30%), while those crystallized using (co-)SDAs containing peripheral hydrogen-bonding groups (e.g., ethylenediamine) show high p-xylene selectivity (∼80%). These selectivities are consistent with DFT-calculated Gibbs free energy barriers for intersection-dominant and channel-dominant active site distributions, respectively. Transition states to form each xylene isomer are similar in size and charge; thus, their rate constants decrease with acid strength similarly, causing isomer selectivity to depend strongly on confinement but not on acid strength. These generalizable synthetic strategies enable independently controlling acid site strength and location in MFI zeolites and, in turn, catalytic rates and selectivities.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The composition, propagation and acceleration of energetic solar particles - A review of United States research 1979-1982

The present review has the objective to cover major developments in American research related to solar energetic particles, both observational and theoretical, taking into account the period from late 1978 to late 1982. It is pointed out that particular progress has been made in the area of solar energetic particle composition with respect to elemental, isotopic, and the distribution of charge states. This progress is primarily the result of improved instrumentation available at a time of higher solar activity. An important aspect of solar particle studies is to understand the propagation of particles from the vicinity of the sun through interplanetary space to wherever the observing instruments are located. Almost all mathematical models for the transport of solar cosmic rays are derived in some sense from the same general Boltzmann or Vlasov equations. Attention is also given to advances related to an understanding of coronal propagation, and acceleration and injection processes.

Mcguire, R. E.↗
NASA NTRS2012

Statistical Orbit Determination using the Particle Filter for Incorporating Non-Gaussian Uncertainties

The tracking of space objects requires frequent and accurate monitoring for collision avoidance. As even collision events with very low probability are important, accurate prediction of collisions require the representation of the full probability density function (PDF) of the random orbit state. Through representing the full PDF of the orbit state for orbit maintenance and collision avoidance, we can take advantage of the statistical information present in the heavy tailed distributions, more accurately representing the orbit states with low probability. The classical methods of orbit determination (i.e. Kalman Filter and its derivatives) provide state estimates based on only the second moments of the state and measurement errors that are captured by assuming a Gaussian distribution. Although the measurement errors can be accurately assumed to have a Gaussian distribution, errors with a non-Gaussian distribution could arise during propagation between observations. Moreover, unmodeled dynamics in the orbit model could introduce non-Gaussian errors into the process noise. A Particle Filter (PF) is proposed as a nonlinear filtering technique that is capable of propagating and estimating a more complete representation of the state distribution as an accurate approximation of a full PDF. The PF uses Monte Carlo runs to generate particles that approximate the full PDF representation. The PF is applied in the estimation and propagation of a highly eccentric orbit and the results are compared to the Extended Kalman Filter and Splitting Gaussian Mixture algorithms to demonstrate its proficiency.

Mashiku, Alinda↗
DOE OSTI2022

Introducing the 9500 Node Distribution Test System to Support Advanced Power Applications: An Operations-Focused Approach

The 9500 Node Test System is a representative section of distribution power system model developed as a part of the GridAPPS-D™ project, an effort funded by DOE as a part of the Grid Modernization Lab Consortium (GMLC) program. The test system was developed to fulfill a growing need to represent the rapidly evolving state of electric distribution systems by combining elements of legacy infrastructure systems, modern feeder topologies, and an anticipated future with smart grid technologies. It also provides a network model capable of supporting the simulation of operational scenarios such as the ones in a utility distribution control center. This test system allows the evaluation of the performance of advanced power applications in real-time, such as one that simulates the operations of an Advanced Distribution Management Systems (ADMS), Distributed Energy Resource Management Systems (DERMS), etc. in a Distribution control center. This model is an extension of the widely used IEEE 8500 Node Test Feeder and is currently being validated to become an IEEE test case to help increase adoption and widespread usage among both academia and industry. It is a full-size model representative of a section of a utility’s distribution system with multiple feeders fed from different substations. The model includes multiple distribution circuits, a sub-transmission system, multiple substations, behind the meter customer rooftop photovoltaics (PV), and multiple utility-scale distributed energy resources. To enable accurate simulations of operational scenarios, the 9500 Node Test System is designed to support procedure-based operations, with the ability to realistically demonstrate switching operations, feeder reconfiguration, adjustment of volt-var control equipment, dispatch of distributed generation, and response to planned and unplanned outages. The 9500 Node Test System includes three radial distribution feeders with 12.3 MVA of average load, consisting of both medium voltage and low voltage equipment each supplied by a different distribution substation. The three distribution feeders are connected to each other through Normally-Open switches which can be closed when needed to simulate restoration scenarios due to a fault. One feeder represents today’s grid with low penetration of customer-side renewables. The second represents a potential future grid with microgrids and 100% renewable penetration. The third has no customer generation resources, a district steam plant, and a utility-scale solar farm. The three diverse circuits were created to allow the simulation of both today’s situation as well as potential future scenarios. All three feeders have customers connected by low-voltage secondary triplex lines. This test system meets all requirements outlined in the report for creating a simulation environment that would enable discussion between key technical stakeholders as well as having the potential to accelerate operational application development and their subsequent testing and integration. The new model is a possible representation of what we believe the distribution grid may look like in the future: a high penetration of renewables, reconfigurable radial and mesh topology, numerous DERs, islanded microgrids, and significantly increased data and measurement density. The system supports both the solution of existing and newer algorithms but also enables the evaluation of applications in a realistic operational environment defined by task oriented procedural steps that represent the interaction between the control center operator and field personnel.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRSDate not supplied

VSLAM and Vision-based Approach and Landing for Advanced Air Mobility

Advanced Air Mobility (AAM) aircraft have many challenges in landing accurately and safely in urban, suburban, and rural environments. Localization in large and open rural environments could utilize GPS, but AAM aircraft in urban environments will encounter GPS degradation. Another challenge involves flight operation time, i.e., flying during the day or at night. There are different guidelines, landmarks, and landing light configurations at runways, heliports, and vertiports for daytime and nighttime applications. Tailoring feature detection methods for AAM approach and landing during the day and night pose different issues and challenges. It is easier to detect edges, lines, and other runway markers during the day than at night. Conversely, it is easier to see landing light configurations and patterns at nighttime than daytime. Consequently, utilizing the same feature detector for daytime and nighttime operations may not be feasible. This paper focuses on a vision-based precision approach and landing (PAL) by comparing ORB SLAM 2, a Vision Simultaneous Localization and Mapping (VSLAM) algorithm, and a novel EKF that combines onboard IMU measurements with coplanar pose from orthography and scaling with iterations (COPOSIT). Conducting unmanned aerial system (UAS) flight tests at NASA Armstrong Flight Research Center (AFRC) with landmarks and fiducials distributed around the landing zone provides a simulated AAM approach and landing data to test vision-based PAL methods to provide Alternative Position, Navigation, and Timing (APNT) solutions for AAM PAL applications. The novel vision-based PAL EKF with IMU and COPOSIT provides accurate state estimation when distributed landmarks and fiducials are in the field of view.

distributed sensing↗
NASA NTRS2016

Internship at the Office of the Chief Scientist

The NASA Ames Research Center (ARC) Office of the Chief Scientist (OCS) is part of the Center Management. The OCS adds value to the organization by encouraging and facilitating innovation and value to the Agency, Nation, and the scientific community through its well-developed, diverse, and strategically formed charter. The OCS provides the Center with the oversight and advice by facilitating and evaluating the Scientific Innovation Fund (SIF) and promoting science-based research partnerships. Additionally, the Office contributes to to the Agency by organizing annual Summer Series Colloquia, Workshops, and support to the Early Career Network, which allows for international and inter-agency collaborations. Working at the OCS allowed me to further learn about the working of the Office and how the Office engages and provides guidance with rest of the Center and the Agency. As part of my internship, I am working on developing the initial infrastructure required for the organization of the Standardized Distributed Workshop and further developing the layout for the Hibernation Workshop. The Standardized Distributed System workshop will investigate the scope of developing and using standardized distributed systems for a wide range of applications including satellite systems, aerospace-oriented systems, water-based systems, automobiles, and various other robotics applications. The goal of this workshop is to determine the feasibility of developing a standardized distributed system that can be customized for different technological applications, which will enable resource sharing, openness, robustness, and fault tolerance. This workshop will bring together experts from different fields, including satellite operations, unmanned aerial vehicles, aircraft operation and management, and artificial intelligence to provide a global evaluation of the aspects associated with the development and adoption of distributed systems. The workshop will also guide the participants through state of the art distributed systems, discuss some of the challenges in designing control systems with a distributed structure, and consider the future of distributed system based technologies for future applications. Additionally, I am also working on finalizing the details and documentation for the proposed Hibernation Workshop. This workshop will address the phenomenon of hibernation through three major aspects: hibernation on Earth, hibernation in space, and knowledge gaps in the approaches to future deep space exploration. The primary objective of the workshop is to explore the current state of science in the area of hibernation, and as a scientific community, explore the gaps and challenges preventing this scientific field from advancing to the next level. This workshop will consist of presentations, panel discussions, and breakout sessions focused on addressing this scientific field, and bringing experts from educational and commercial sectors together. As a part of my internship report, I will be document the process of planning these workshops and further provide a brief summary of my experience with the 2016 NASA Ames Summer Series and various professional visits.

ISU↗
NASA NTRS1986

Thermospheric nitric oxide and its role in thermospheric dynamics and composition

The global distribution of thermospheric nitric oxide has been measured under different geophysical conditions by the Atmosphere Explorer (AE) and Solar Mesosphere Explorer (SME) satellites. These observations show a great variability in the NO concentration but the existence of a latitudinal gradient is clearly evidenced by statistical maps of the NO meridional distribution. A two dimensional zonally averaged chemical-dynamical model was used to investigate the importance of nitric oxide 5.3 micrometer cooling and its role on thermospheric temperature, dynamics and major gas composition. For this purpose, a 2-D background atmosphere code and an odd nitrogen code were coupled and run to steady state. The NO distribution obtained is in good agreement with the AE-D global picture calculated at solstice for solar minimum activity. The importance of each term in the thermodynamic equation was studied spatially. It is found that the NO I.R. cooling term competes with conduction in the upper thermosphere and reaches its maximum value near 200 km at high summer latitudes. The primary effect of including the NO cooling term is to increase the temperature in the upper winter thermosphere and decrease it in the other hemisphere, if the global average temperature is fixed. In general, the strength of the circulation is decreased and the thermal gradient is smoother. As a consequence of these changes in the wind and temperature fields, the O2, N2 and O densities also react to the effect of the NO cooling. The importance of this process depends on the level of solar activity which controls the NO distribution.

Gerard, J. C.↗