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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Chemical Design of Spin Frustration to Realize Topological Spin Glasses

Patterning spins to generate collective behavior is at the core of condensed matter physics. Physicists develop techniques, including the fabrication of magnetic nanostructures and precision layering of materials specifically to engender frustrated lattices. As chemists, we can access such exotic materials through targeted chemical synthesis and create new lattice types by chemical design. Here, in this study, we introduce a new approach to induce magnetic frustration on a modified honeycomb lattice through a competition of alternating antiferromagnetic (AFM) and ferromagnetic (FM) nearest-neighbor interactions. By subtly modulating these two types of interactions through facile synthetic modifications, we created two systems: (1) a topological spin glass and (2) a frustrated spin-canted magnet with low-temperature exchange bias. To design this unconventional magnetic lattice, we used a metal–organic framework (MOF) platform, Ni 3 (pymca) 3 X 3 (NipymcaX where pymca = pyrimidine-2-carboxylato and X = Cl, Br). We isolated two MOFs, NipymcaCl and NipymcaBr, featuring canted Ni 2+ -based moments. Despite this similarity, differences in the single-ion anisotropies of the Ni 2+ spins result in distinct magnetic properties for each material. NipymcaCl is a topological spin glass, while NipymcaBr is a rare frustrated magnet with low-temperature exchange bias. Density functional theory calculations and Monte Carlo simulations on the NipymcaX lattice support the presence of magnetic frustration as a result of alternating AFM and FM interactions. Our calculations enabled us to determine the ground-state spin configuration and the distribution of spin–spin correlations relative to paradigmatic kagomé and triangular lattices. This modified honeycomb lattice is similar to the electronic Kekulé-O phase in graphene and provides a highly tunable platform to realize unconventional spin physics.

Exchange bias↗
DOE OSTI2015

Unravelling the impact of reaction paths on mechanical degradation of intercalation cathodes for lithium-ion batteries

The intercalation compounds are generally considered as ideal electrode materials for lithium-ion batteries thanks to their minimum volume expansion and fast lithium ion diffusion. However, cracking still occurs in those compounds and has been identified as one of the critical issues responsible for their capacity decay and short cycle life, although the diffusion-induced stress and volume expansion are much smaller than those in alloying-type electrodes. Here, we designed a thin-film model system that enables us to tailor the cation ordering in LiNi 0.5 Mn 1.5 O 4 spinels and correlate the stress patterns, phase evolution, and cycle performances. Surprisingly, we found that distinct reaction paths cause negligible difference in the overall stress patterns but significantly different cracking behaviors and cycling performances: 95% capacity retention for disordered LiNi 0.5 Mn 1.5 O 4 and 48% capacity retention for ordered LiNi 0.5 Mn 1.5 O 4 after 2000 cycles. We were able to pinpoint that the extended solid-solution region with suppressed phase transformation attributed to the superior electrochemical performance of disordered spinel. Furthermore, this work envisions a strategy for rationally designing stable cathodes for lithium-ion batteries through engineering the atomic structure that extends the solid-solution region and suppresses phase transformation.

25 ENERGY STORAGE↗
DOE OSTI2022

Giant resonances in topological spin Hall effect due to electron-skyrmion scattering in two-dimensional Rashba spin-orbit ferromagnets

Here we study a topological spin Hall effect where conduction electrons are scattered by Néel-type skyrmions in two-dimensional Rashba spin-orbit ferromagnets. We find the resonance structures in direct and Hall electric conductivities. The resonances strongly depend on the skyrmion size, the Rashba spin-orbit coupling vector value, and the relative direction between magnetization and Rashba vectors. The antiparallel arrangement of the Rashba spin-orbit coupling vector with respect to the magnetization determines the resonance structure and increases the direct conductivity by about two orders of magnitude. For the parallel arrangement the electric conductivities decrease by one to three orders of magnitude and the Hall conductivity changes the sign. The Rashba spin-orbit coupling also modifies electron bands depending on the ratio ε R /J, where ε R is Rashba energy and J is an exchange integral between conduction and localized electrons. If ε R /J ≤ 1, each energy band has the single minimum while for ε R /J > 1 the lower band has the “Mexican-hat” shape with the maximum at k = 0. We focus on the dependencies of direct and Hall electric conductivities on Fermi energy, ε F , skyrmion sizes, and Rashba spin-orbit coupling constant values and its relative direction with the magnetization. Analyzing both types of the energy bands, in general, we find two types of resonances: at the minimum of the upper band and behaviors, we employ the scattering pattern analysis. The resonance dependencies on skyrmion sizes and Rashba, a spin-orbit coupling contestant, can be qualitatively explained in terms of the Ramsauer-Townsend scattering of the upper band electrons by the skyrmion quantum well. The resonance properties can be used in spin transistors. To discover the resonances it is necessary to know the specific range of the parameters. At some values of the parameters the electric conductivity changes by about two orders of magnitude in the narrow range of ε F (< 0.01 eV). To detect the resonances it is also important to identify the relative direction of the Rashba spin-orbit coupling vector with respect to the magnetization.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phase transition systematics in BiVO 4 by means of high-pressure–high-temperature Raman experiments

We report here high-pressure–high-temperature Raman experiments performed on BiVO4. We characterized the fergusonite and scheelite phases (powder and single crystal samples) and the zircon polymorph (nanopowder). The experimental results are supported by ab initio calculations, which, in addition, provide the vibrational patterns. The temperature and pressure behavior of the fergusonite lattice modes reflects the distortions associated with the ferroelastic instability. The linear coefficients of the zircon phase are in sharp contrast to the behavior observed in the fergusonite phase. The boundary of the fergusonite-to-scheelite second-order phase transition is given by T F–Sch (K) = –166(8) P (GPa) + 528(5). The zircon-to-scheelite, irreversible, first-order phase transition takes place at T Z–Sch (K) = –107(8) P(GPa) + 690(10). We found evidence of additional structural changes around 15.7 GPa, which in the downstroke were found to be not reversible. We analyzed the anharmonic contribution to the wave-number shift in fergusonite using an order parameter. As a result, the introduction of a critical temperature depending both on temperature and pressure allows for a description of the results of all the experiments in a unified way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Helical vortex formation in three-dimensional electrochemical systems with ion-selective membranes

The rate of electric-field-driven transport across ion-selective membranes can exceed the limit predicted by Nernst (the limiting current), and encouraging this “overlimiting” phenomenon can improve efficiency in many electrochemical systems. Overlimiting behavior is the result of electroconvectively induced vortex formation near membrane surfaces, a conclusion supported so far by two-dimensional (2D) theory and numerical simulation, as well as experiments. We show that the third dimension plays a critical role in overlimiting behavior. In particular, the vortex pattern in shear flow through wider channels is helical rather than planar, a surprising result first observed in three-dimensional (3D) simulation and then verified experimentally. We present a complete experimental and numerical characterization of a device exhibiting this recently discovered 3D electrokinetic instability, and show that the number of parallel helical vortices is a jump-discontinuous function of width, as is the overlimiting current and overlimiting conductance. In addition, we show that overlimiting occurs at lower fields in wider channels, because the associated helical vortices are more readily triggered than the planar vortices associated with narrow channels (effective 2D systems). These unexpected width dependencies arise in realistic electrochemical desalination systems, and have important ramifications for design optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optimal Control of Differentially Private EV Charging: A Scalable Learning Approach Under Uncertainty

Internet of Things (IoT)-enabled electric vehicles (IoEVs) enable intelligent charging coordination that accounts for grid congestion. However, increased data exchange raises privacy concerns, as charging patterns can reveal sensitive driver behavior to grid operators. Here, we propose a differentially private (DP) EV charging framework that enables coordinated control while protecting driver data with theoretical privacy guarantees. Nevertheless, integrating DP inevitably introduces uncertainty into the control strategy for EVs, which can lead to infeasible solutions. To tackle this challenge, we develop a feasible and scalable control algorithm based on constrained reinforcement learning (CRL) and convex hulls. While our framework is designed to handle the uncertainty introduced by DP, it is general and also applicable to other sources of uncertainty in EV charging, such as the stochastic nature of driver behavior and renewable variability. This ensures feasible and privacy-preserving coordination of EV charging at scale. Our method constructs convex hulls within the action space to guarantee feasibility under stochastic constraints and incorporates constraint reduction techniques to improve scalability. Case studies based on IEEE benchmark systems demonstrate that the proposed approach effectively balances feasibility under uncertainty, scalability, and privacy in large-scale EV charging control.

Engineering - Power transmission and distribution↗
DOE OSTI2015

Interstate Electrification Improvement Project

The Interstate Electrification Improvement Project, publicly known as the Shorepower Truck Electrification Project (STEP), started in May 2011 and ended in March 2015. The project grant was awarded by the Department of Energy’s Vehicles Technology Office in the amount of $22.2 million. It had three overarching missions: 1. Reduce the idling of Class 8 tractors when parked at truck stops, to reduce diesel fuel consumption and thus U.S. dependence on foreign petroleum; 2. Stimulate job creation and economic activity as part of the American Reinvestment and Recovery Act of 2009; 3. Reduce greenhouse gas emissions (GHG) from diesel combustion and the carbon footprint of the truck transportation industry. The project design was straightforward. First, build fifty Truck Stop Electrification (TSE) facilities in truck stop parking lots across the country so trucks could plug-in to 110V, 220V, or 480VAC, and shut down the engine instead of idling. These facilities were strategically located at fifty truck stops along major U.S. Interstates with heavy truck traffic. Approximately 1,350 connection points were installed, including 150 high-voltage electric standby Transport Refrigeration Unit (eTRU) plugs--eTRUs are capable of plugging in to shore power1 to cool the refrigerated trailer for loads such as produce, meats and ice cream. Second, the project provided financial incentives on idle reduction equipment to 5,000 trucks in the form of rebates, to install equipment compatible with shore power. This equipment enables drivers to shut down the main engine when parked, to heat or cool their cab, charge batteries, or use other household appliances without idling—a common practice that uses approximately 1 gallon of diesel per hour. The rebate recipients were intended to be the first fleets to plug into Shorepower to save diesel fuel and ensure there is significant population of shore power capable trucks. This two part project was designed to complement each other by providing: 1) the infrastructure to plug into and 2) the on-board equipment capable of plugging into the infrastructure. This project generated the largest dataset to date on shore power TSE utilization and use patterns, providing: insight into driver behavior and acceptance; evidence of cost savings; experience with system operations and management; and data for guiding future development of shore power, whether as a private enterprise or a publicly-subsidized service for meeting air quality goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Thermo-Mechanical Phase-Field Modeling of Fracture in High-Burnup UO2 Fuels Under Transient Conditions

This study presents a novel multiphysics phase-field fracture model to analyze high-burnup uranium dioxide (UO2) fuel behavior under transient reactor conditions. Fracture is treated as a stochastic phase transition, which inherently accounts for the random microstructural effects that lead to variations in the value of fracture strength. Moreover, the model takes into consideration the effects of temperature and burnup on thermal conductivity. Therefore, the model is able to predict crack initiation, propagation, and complex morphologies in response to thermal gradients and stress distributions. Several simulations were conducted to investigate the effects of operational and transient conditions on fracture behavior and the resulting cracking patterns. High-burnup fuels exhibit reduced thermal conductivity, elevating temperature gradients and resulting in extensive radial and circumferential cracks. Transient heating rates and temperatures significantly affect fracture patterns, with higher heating rates generating steeper gradients and more irregular crack trajectories. This approach provides critical insights into fuel integrity during accident scenarios and supports the safety evaluation of extended burnup limits.

Chemistry↗
NASA NTRS1972

The state of the ionosphere above Alma Ata

The basic patterns are described in the behavior of critical frequencies and minimum effective heights of the ionosphere's reflecting E, F1, and F2 layers, according to ionospheric recorder measurements from 1943 to 1967. The variations of critical frequencies and virtual heights are compared with the relative sunspot numbers and the flux of the sun's radio emission at 10.7 cm.

Rudina, M. P.↗
NASA NTRS1981

Pilot interaction with automated airborne decision making systems

The role of the pilot and crew for future aircraft is discussed. Fifteen formal experimental studies and the development of a variety of models of human behavior based on queueing history, pattern recognition methods, control theory, fuzzy set theory, and artificial intelligence concepts are presented. L.F.M.

Rouse, W. B.↗
NASA NTRS1993

Fluorescence observations of LDEF exposed materials as an indicator of induced material reactions

Observations and measurements of induced changes in the fluorescent emission of materials exposed to the space environment on the Long Duration Exposure Facility (LDEF) have revealed systematic patterns of material-dependent behavior. These results have been supplemented by inspection of similar materials exposed on previous Space Shuttle Missions and in laboratory testing. The space environmental factors affecting the fluorescence of exposed materials have been found to include (but are not necessarily limited to) solar ultraviolet (UV) radiation, atomic oxygen (AO), thermal vacuum exposure, and synergistic combinations of these factors. Observed changes in material fluorescent behavior include stimulation, quenching, and spectral band shifts of emission. For example, the intrinsic yellow fluorescence of zinc oxide pigmented thermal control coatings undergoes quenching as a result of exposure, while coloration is stimulated in the fluorescent emission of several polyurethane coating materials. The changes in fluorescent behavior of these materials are shown to be a revealing indicator of induced material reactions as a result of space environmental exposure.

Linton, Roger C.↗
NASA NTRS2007

Uncertainty Analysis of Historical Hurricane Data

An analysis of variance (ANOVA) study was conducted for historical hurricane data dating back to 1851 that was obtained from the U. S. Department of Commerce National Oceanic and Atmospheric Administration (NOAA). The data set was chosen because it is a large, publicly available collection of information, exhibiting great variability which has made the forecasting of future states, from current and previous states, difficult. The availability of substantial, high-fidelity validation data, however, made for an excellent uncertainty assessment study. Several factors (independent variables) were identified from the data set, which could potentially influence the track and intensity of the storms. The values of these factors, along with the values of responses of interest (dependent variables) were extracted from the data base, and provided to a commercial software package for processing via the ANOVA technique. The primary goal of the study was to document the ANOVA modeling uncertainty and predictive errors in making predictions about hurricane location and intensity 24 to 120 hours beyond known conditions, as reported by the data set. A secondary goal was to expose the ANOVA technique to a broader community within NASA. The independent factors considered to have an influence on the hurricane track included the current and starting longitudes and latitudes (measured in degrees), and current and starting maximum sustained wind speeds (measured in knots), and the storm starting date, its current duration from its first appearance, and the current year fraction of each reading, all measured in years. The year fraction and starting date were included in order to attempt to account for long duration cyclic behaviors, such as seasonal weather patterns, and years in which the sea or atmosphere were unusually warm or cold. The effect of short duration weather patterns and ocean conditions could not be examined with the current data set. The responses analyzed were the storm latitude, longitude and intensity, as recorded in the data set, 24 or 120 hours beyond the current state. Several ANOVA modeling schemes were examined. Two forms of validation were used: 1) comparison with official hurricane prediction performance metrics and 2) cases studies conducted on hurricanes from the 2005 season, which were not included within the model construction and ANOVA assessment. In general, the ANOVA technique did not perform as well as the established official prediction performance metrics published by NOAA; still, the technique did remarkably well in this demonstration with a difficult data set and could probably be made to perform better with more knowledge of hurricane development and dynamics applied to the problem. The technique provides a repeatable prediction process that eliminates the need for judgment in the forecast.

Green, Lawrence L.↗
DOE OSTI2023

Vis-SAGA: Visual Analytics for Situational Awareness of Grid Anomalies: Preprint

We describe supporting near real-time situational awareness of the electric distribution system by visualizing novel data from voltage sensors deployed on existing broadband cable television network equipment. Our scalable web-based visual analytics platform supports interactive geospatial exploration, time-series analysis, and summarization of grid behavior during potentially anomalous events. The broadband cable television sensor network provides observability of the electrical distribution system at a higher local spatial resolution than is typically available to most utilities, revealing the operational state of the network and aiding in the detection of abnormal behaviors or deviations from expected patterns, particularly across electric utility service areas. We outline the design and development of interactive geospatial and time-series visualization components and the scalable data services that supply metadata, historical, and real-time streams of sensor data across the network. We evaluate our platform during periods of extreme weather, demonstrating its ability to assist in detecting patterns of operation that affect power availability, quality, resiliency, and service restoration.

cable television↗
DOE OSTI2018

Plasma Electrolytic Oxidation Coatings on Pure Ti Substrate: Effects of Na{sub 3}PO{sub 4} Concentration on Morphology and Corrosion Behavior of Coatings in Ringer’s Physiological Solution

Plasma electrolytic oxidation has been used as a relatively new method for applying ceramic coatings having different features. In the present study, commercially pure titanium is used as substrate, and effects of trisodium phosphate electrolyte concentration on the microstructure, as well as corrosion behavior of the coating in Ringer’s physiological solution are investigated. The morphology and phase compositions of coatings were analyzed by using scanning electron microscopy (SEM) and x-ray diffraction patterns. The study on the corrosion behavior of samples in a Ringer’s physiological solution was carried out using open-circuit potential potentiodynamic polarization and electrochemical impedance spectroscopy. The results of electrochemical analysis proved that higher concentration of phosphate electrolyte leads to increase in the corrosion resistance of applied coatings. Accordingly, obtained results revealed that the optimum electrolyte concentration for the best corrosion behavior was 20 g L{sup −1}. Furthermore, SEM images and reduction in the dielectric breakdown potential indicated that increase in the electrolyte concentration leads to morphological improvement and smoothening of the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of long-term irrigation patterns on phosphorus forms and distribution in the brown soil zone

Continuous application of P fertilizers under different irrigation patterns can change soil phosphorus (P) chemical behavior and increase soil P levels that are of environmental concern. To assess the effect of long-term different irrigation patterns on soil P fractions and availability, this study examined sequential changes in soil organic P and inorganic P from furrow irrigation (FI), surface drip irrigation (SUR), and subsurface drip irrigation (SDI) in the brown soil zone (0–60 cm) during 1998 to 2011. Analyses of soil P behavior showed that the levels of total P are frequently high on top soil layers. The total P (TP) contents of the entire soil profiles under three irrigation treatments were 830.2–3180.1 mg/kg. The contents of available P (AP) were 72.6–319.3 mg P/kg soil through soil profiles. The greatest TP and AP contents were obtained within the upper soil layers in FI. Results of Hedley’s P fractionation indicate that HCl-P is a dominant form and the proportion to TP ranges from 29% to 43% in all three methods. The contents of various fractions of P were positively correlated with the levels of total carbon (TC), total inorganic carbon (TIC), and calcium (Ca), whereas the P fractions had negative correlation with pH in all soil samples. Regression models proved that NaHCO 3 -P o was an important factor in determining the amount of AP in FI. H 2 O-P o , NaHCO 3 -P o , and NaOH-P i were related to available P values in SUR. NaHCO 3 -P o and NaOH-P o played important roles in SDI. The tomato yield under SUR was higher than SDI and FI. The difference of P availability was also controlled by the physicochemical soil properties under different irrigation schedule. Here, SUR was a reasonable irrigation pattern to improve the utilization efficiency of water and fertilizer.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

The compelling case for indentation as a functional exploratory and characterization tool

The utility of indentation testing for characterizing a wide range of mechanical properties of brittle materials is highlighted in light of recent articles questioning its validity, specifically in relation to the measurement of toughness. Contrary to assertion by some critics, indentation fracture theory is fundamentally founded in Griffith–Irwin fracture mechanics, based on model crack systems evolving within inhomogeneous but well-documented elastic and elastic–plastic contact stress fields. Notwithstanding some numerical uncertainty in associated stress intensity factor relations, the technique remains an unrivalled quick, convenient and economical means for comparative, site-specific toughness evaluation. Most importantly, indentation patterns are unique fingerprints of mechanical behavior and thereby afford a powerful functional tool for exploring the richness of material diversity. At the same time, it is cautioned that unconditional usage without due attention to the conformation of the indentation patterns can lead to overstated toughness values. Limitations of an alternative, more engineering approach to fracture evaluation, that of propagating a precrack through a “standard” machined specimen, are also outlined. Thus misconceptions in the critical literature concerning the fundamental nature of crack equilibrium and stability within contact and other inhomogeneous stress fields are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Characterization of immiscible fluid displacement processes with various capillary numbers and viscosity ratios in 3D natural sandstone

We characterize the influence of reservoir conditions upon multiphase flow, we calculated fluid displacements (drainage processes) in 3D pore spaces of Berea sandstone using two-phase lattice Boltzmann (LB) simulations. The results of simulations under various conditions were used to classify the resulting two-phase flow behavior into three typical fluid displacement patterns on the diagram of capillary number (Ca) and viscosity ratio of the two fluids (M). In addition, the saturation of the nonwetting phase was calculated and mapped on the Ca–M diagram. We then characterized dynamic pore-filling events (i.e., Haines jumps) from the pressure variation of the nonwetting phase, and linked this behavior to the occurrence of capillary fingering. The results revealed the onset of capillary fingering in 3D natural rock at a higher Ca than in 2D homogeneous granular models, with the crossover region between typical displacement patterns broader than in the homogeneous granular model. Furthermore, saturation of the nonwetting phase mapped on the Ca–M diagram significantly depends on the rock models. These important differences between two-phase flow in 3D natural rock and in 2D homogeneous models could be due to the heterogeneity of pore geometry in the natural rock and differences in pore connectivity. By quantifying two-phase fluid behavior in the target reservoir rock under various conditions (e.g., saturation mapping on the Ca–M diagram), our approach could provide useful information for investigating suitable reservoir conditions for geo-fluid management (e.g., high CO 2 saturation in CO 2 storage).

58 GEOSCIENCES↗
NASA NTRS2010

Snap-Through Instability Patterns in Truss Structures

Geometrically nonlinear truss structures with snap-through behavior are demonstrated by using an arc length approach within a finite element analysis. The instability patterns are equilibrium paths that are plotted throughout the snap-through event. Careful observation of these patterns helps to identify weak designs in large space structures, as well as identify desirable snap-through behavior in the miniaturization of electronic devices known as microelectromechanical systems (MEMS). Examples of highly nonlinear trusses that show snap-through behavior are examined by tracing their equilibrium paths.

Hrinda, Glenn A.↗