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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Integrating Contaminant Source Indicators, Water Quality Measures, and Ecotoxicity to Characterize Contaminant Mixtures and Per- and Polyfluoroalkyl Substance (PFAS) Variability in an Urban Watershed

Thousands of chemical contaminants threaten watersheds but are time and cost prohibitive to monitor. Identifying their sources, transport, and ecological risk is limited in heterogeneous urban watersheds. We present an integrative watershed approach using source-specific indicator compounds, common water quality measures, and ecotoxicity assays to examine the distribution of contaminant mixtures in an urbanized watershed. Indicator compound concentrations were temporally and spatially distributed for treated/untreated sewage (sucralose, artificial sweetener), road runoff (diphenyl-guanidine [DPG] and 6PPD-quinone [6PPD-Q], automobile tire additives), and lawncare runoff (aminomethanephosphonic acid (AMPA), major degradant of the herbicide glyphosate). Sucralose was predominately sourced from treated wastewater; measurable concentrations in tributaries indicated raw sewage inputs. DPG and 6PPD-Q concentrations correlated to road density during base flow and were elevated during stormflow. AMPA was measurable spring through fall, especially where lawns were dense. When specific sources dominated flow, water quality measures correlated with wastewater (sulfate, potassium, chloride, and sodium) and road runoff (chromium and lead) indicators. The limited behavioral toxicity observed in exposed zebrafish (Danio rerio) (18%) was not well explained by source-indicators. PFAS concentrations were highly variable spatially but not well explained by our source-specific indicator compounds. Here, more costly compound-specific monitoring may be necessary when multiple sources exist or when unexpected toxicity trends occur.

computer simulations↗
DOE OSTI2023

The electric vehicles-solar photovoltaics Nexus: Driving cross-sectoral adoption of sustainable technologies

Residential and transportation energy consumption account for more than one-half of the overall energy consumption in the United States. Adoption of electric vehicles (EVs) can play a key role in decarbonizing the transportation sector, while the adoption of renewable energy sources (e.g., solar photovoltaics [PVs]) could bring similar benefits to the residential energy sector and in turn support transport electrification. Although the market shares for both EVs and PVs continue to grow, both of these emerging technologies are deployed rather disjointly, without considering the existence of potential similarities among users who own (or aspire to own) these technologies. This might be due to lack of understanding of the behavioral interdependence in consumer preferences toward these technologies. To fill this gap in knowledge, this study utilizes data from the 2018 WholeTraveler Transportation Behavior Study to develop an integrated model system that explores interactive EV and PV adoption behaviors. A structural equation model is employed that incorporates direct effects as well as error correlations among the adoption behaviors for EVs and PVs. Model results indicate that the adoption behavior for both these technologies is indeed interconnected and significantly influenced by attitudes, values, and personality traits. Findings from this research suggest that incentives (e.g., subsidies) that drive bundled adoption of EV-PV systems could accelerate the adoption of both of these sustainable technologies. In conclusion, this study highlights the need to consider transport and building energy-efficient technology adoption behavior in a single integrated structure.

14 SOLAR ENERGY↗
DOE OSTI2022

Is the Adoption of Electric Vehicles (EVs) and Solar Photovoltaics (PVs) Interdependent or Independent? An Integrated EVs-PVs Modeling Framework

Transportation and residential energy consumption account for more than one-half of the overall energy consumption in the United States. Adoption of electric vehicles (EVs) can play a key role in decarbonizing the transportation sector, while the adoption of renewable energy sources (e.g., solar photovoltaics or PVs) could bring similar benefits to the residential energy sector and in turn support transport electrification. Although the market share for both EVs and PVs continue to grow, both these emerging technologies are deployed rather disjoint without considering the existence of potential similarities among users who own (or aspire to own) EVs and PVs. This might be due to lack of understanding of the behavioral interdependence in consumer preferences towards these technologies. To fill this gap in knowledge, this study utilizes data from the 2018 WholeTraveler Transportation Behavior Study to develop an integrated model system that explores EV and PV adoption behaviors. A structural equations model (SEM) is employed that incorporates direct effects as well as error correlations among the adoption behaviors for EVs and PVs. Model results indicate that the adoption behavior for both these technologies is indeed interconnected and significantly influenced by attitudes, values and personality traits. Findings from this research suggest that incentives (e.g., subsidies) that drive 'bundled' adoption of EVs and PVs could accelerate the adoption of both these sustainable technologies. The results highlights the need to consider transport and building energy efficient technology adoption behavior in a single integrated structure.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2019

Liquid-like and rigid-body motions in molecular-dynamics simulations of a crystalline protein

To gain insight into crystalline protein dynamics, we performed molecular-dynamics (MD) simulations of a periodic 2 × 2 × 2 supercell of staphylococcal nuclease. We used the resulting MD trajectories to simulate X-ray diffraction and to study collective motions. The agreement of simulated X-ray diffraction with the data is comparable to previous MD simulation studies. We studied collective motions by analyzing statistically the covariance of alpha-carbon position displacements. The covariance decreases exponentially with the distance between atoms, which is consistent with a liquidlike motions (LLM) model, in which the protein behaves like a soft material. To gain finer insight into the collective motions, we examined the covariance behavior within a protein molecule (intraprotein) and between different protein molecules (interprotein). The interprotein atom pairs, which dominate the overall statistics, exhibit LLM behavior; however, the intraprotein pairs exhibit behavior that is consistent with a superposition of LLM and rigid-body motions (RBM). Our results indicate that LLM behavior of global dynamics is present in MD simulations of a protein crystal. They also show that RBM behavior is detectable in the simulations but that it is subsumed by the LLM behavior. Finally, the results provide clues about how correlated motions of atom pairs both within and across proteins might manifest in diffraction data. Overall, our findings increase our understanding of the connection between molecular motions and diffraction data and therefore advance efforts to extract information about functionally important motions from crystallography experiments.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Interfacial shear behavior of sapphire-reinforced NiAl composites

The interfacial shear behavior in near-equiatomic NiAl reinforced by sapphire filaments has been examined at room temperature using a fiber pushout test technique. The load-displacement data indicate a large variability in the initial interface failure stress, although reverse push behavior indicates a comparatively constant interfacial sliding friction stress. The observed behavior suggests that the presence of asperities on the fiber surfaces and nonuniformities in fiber diameter require constrained plastic flow within the NiAl matrix in order for interfacial shear to occur. The location, shape, severity, and distribution of fiber asperities as well as the uniformity of fiber diameter are critical to the interfacial shear process.

Moose, C. A.↗
NASA NTRS1972

Evidence for the trough wind

The existence of an upward flow of ionization along trough-field lines located at approximately 65 deg magnetic latitude is discussed. A flux model that fits the observed behavior of h(+0) and 0(+) was developed based on the existence of a trough wind. The measurements indicate a different behavior in the altitude distribution of ionized hydrogen in the plasmasphere as compared to the trough region. This difference is explained by the trough wind.

Brinton, H.↗
DOE OSTI2022

Water Network Shape-Dependence of Local Interactions with the Microhydrated –NO 2 – and –CO 2 – Anionic Head Groups by Cold Ion Vibrational Spectroscopy

We report the structural evolutions of water networks and solvatochromic response of the CH 3 NO 2 – radical anion in the OH and CH stretching regions by analysis of the vibrational spectra displayed by cryogenically cooled CH 3 NO 2 – ·(H 2 O) n=1–6 clusters. The OH stretching bands evolve with a surprisingly large discontinuity at n = 6, which features the emergence of an intense, strongly red-shifted band along with a weaker feature that appears in the region assigned to a free OH fundamental. Very similar behavior is displayed by the perdeuterated carboxylate clusters, RCO 2 – ·(H 2 O) n=5–7 (R = CD 3 CD 2 ), indicating that this behavior is a general feature in the microhydration of the triatomic anionic domain and not associated with CH oscillators. Electronic structure calculations trace this behavior to the formation of a “book” isomer of the water hexamer that adopts a configuration in which one of the water molecules resides in an acceptor–acceptor–donor (AAD) (A = acceptor, D = donor) H-bonding site. Excitation of the bound OH in the AAD site explores the local network topology best suited to stabilize an incipient –XO 2 H–OH–(H 2 O) 2 intracluster proton-transfer reaction. These systems thus provide particularly clear examples where the network shape controls the potential energy landscape that governs water network-mediated, intracluster proton transfer. The CH stretching bands of the CH 3 NO 2 – ·(H 2 O) n=1–6 clusters also exhibit strong solvatochromic shifts, but in this case, they smoothly blue-shift with increasing hydration with no discontinuity at n = 6. Furthermore, this behavior is analyzed in the context of the solute-ion polarizability response and partial charge transfer to the water networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ion diffusion coefficients in poly(3-alkylthiophenes) for energy conversion and biosensing: role of side-chain length and microstructure

Conductive polymers are promising materials as active elements for energy storage and conversion devices due to mixed ion–electron conduction. The ion diffusion coefficient is a relative measure of the efficacy of ion transport, allowing for comparison between materials and electrochemical conditions. In this work, diffusion coefficients of hexafluorophosphate (PF6–) counterions in poly(3-alkylthiophene) (P3AT) materials are measured as a function of both side-chain length and microstructure using electrochemical impedance spectroscopy (EIS). For semi-crystalline films, the diffusion coefficient is found to be anomalous and nearly independent of applied electrochemical potential. Here, the anomalous behavior of diffusion indicates that spin casting yields compact films with an enthalpic barrier to ion transport, attributed to ionic trapping. Diffusion coefficient values ~10 –11 cm 2 s –1 were measured for all films, indicating interchain spacing, in the absence of strong intermolecular interactions with the electrolyte, is not a viable design strategy to control ion transport. For the prototypical system of poly(3-hexylthiophene), we observe almost no potential dependence in ion transport for regioregular and regiorandom films of comparable molecular weight, with both exhibiting anomalous diffusion. Alternatively, changing the microstructure of poly(3-hexylthiophene) to a mostly amorphous, ion-imprinted structure yields ~500× increase in the diffusion coefficient to ~2 × 10 –8 cm 2 s –1 at 0.8 V vs. Ag/Ag + with behavior closer to ordinary diffusion. Collectively, these results indicate new insight into ion transport in conductive polymers, where ionic trapping effects can be mitigated through electrodeposition protocols over post-synthesis processing (i.e. spin coating).

14 SOLAR ENERGY↗
NASA NTRS2011

Monitoring Delamination of Thermal Barrier Coatings During Interrupted High-Heat-Flux Laser Testing using Luminescence Imaging

This presentation showed progress made in extending luminescence-base delamination monitoring to TBCs exposed to high heat fluxes, which is an environment that much better simulates actual turbine engine conditions. This was done by performing upconversion luminescence imaging during interruptions in laser testing, where a high-power CO2 laser was employed to create the desired heat flux. Upconverison luminescence refers to luminescence where the emission is at a higher energy (shorter wavelength) than the excitation. Since there will be negligible background emission at higher energies than the excitation, this methods produces superb contrast. Delamination contrast is produced because both the excitation and emission wavelengths are reflected at delamination cracks so that substantially higher luminescence intensity is observed in regions containing delamination cracks. Erbium was selected as the dopant for luminescence specifically because it exhibits upconversion luminescence. The high power CO2 10.6 micron wavelength laser facility at NASA GRC was used to produce the heat flux in combination with forced air backside cooling. Testing was performed at a lower (95 W/sq cm) and higher (125 W/sq cm) heat flux as well as furnace cycling at 1163C for comparison. The lower heat flux showed the same general behavior as furnace cycling, a gradual, "spotty" increase in luminescence associated with debond progression; however, a significant difference was a pronounced incubation period followed by acceleration delamination progression. These results indicate that extrapolating behavior from furnace cycling measurements will grossly overestimate remaining life under high heat flux conditions. The higher heat flux results were not only accelerated, but much different in character. Extreme bond coat rumpling occurred, and delamination propagation extended over much larger areas before precipitating macroscopic TBC failure. This indicates that under the higher heat flux (and surface & interface temperatures), the TBC was more tolerant of damage. The main conclusions were that high heat flux conditions can not only accelerate TBC debond progression but can also grossly alter the pathway of delamination.

Eldridge, Jeffrey I.↗
DOE OSTI2024

Square Root Statistics of Density Matrices and Their Applications

To estimate the degree of quantum entanglement of random pure states, it is crucial to understand the statistical behavior of entanglement indicators such as the von Neumann entropy, quantum purity, and entanglement capacity. These entanglement metrics are functions of the spectrum of density matrices, and their statistical behavior over different generic state ensembles have been intensively studied in the literature. As an alternative metric, in this work, we study the sum of the square root spectrum of density matrices, which is relevant to negativity and fidelity in quantum information processing. In particular, we derive the finite-size mean and variance formulas of the sum of the square root spectrum over the Bures–Hall ensemble, extending known results obtained recently over the Hilbert–Schmidt ensemble.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

Parameter Estimation of Actuators for Benchmark Active Control Technology (BACT) Wind Tunnel Model with Analysis of Wear and Aerodynamic Loading Effects

This report describes the development of transfer function models for the trailing-edge and upper and lower spoiler actuators of the Benchmark Active Control Technology (BACT) wind tunnel model for application to control system analysis and design. A simple nonlinear least-squares parameter estimation approach is applied to determine transfer function parameters from frequency response data. Unconstrained quasi-Newton minimization of weighted frequency response error was employed to estimate the transfer function parameters. An analysis of the behavior of the actuators over time to assess the effects of wear and aerodynamic load by using the transfer function models is also presented. The frequency responses indicate consistent actuator behavior throughout the wind tunnel test and only slight degradation in effectiveness due to aerodynamic hinge loading. The resulting actuator models have been used in design, analysis, and simulation of controllers for the BACT to successfully suppress flutter over a wide range of conditions.

Waszak, Martin R.↗
NASA NTRS2006

Chemical, Physical, and Mechanical Characterization of Isocyanate Cross-linked Amine-Modified Silica Aerogels

We describe a new mechanically strong lightweight porous composite material obtained by encapsulating the skeletal framework of amine-modified silica aerogels with polyurea. The conformal polymer coating preserves the mesoporous structure of the underlying silica framework and the thermal conductivity remains low at 0.041 plus or minus 0.001 W m(sup -1 K(sup -1). The potential of the new cross-linked silica aerogels for load-carrying applications was determined through characterization of their mechanical behavior under compression, three-point bending, and dynamic mechanical analysis (DMA). A primary glass transition temperature of 130 C was identified through DMA. At room temperature, results indicate a hyperfoam behavior where in compression cross-linked aerogels are linearly elastic under small strains (less than 4%) and then exhibit yield behavior (until 40% strain), followed by densification and inelastic hardening. At room temperature the compressive Young's modulus and the Poisson's ratio were determined to be 129 plus or minus 8 MPa and 0.18, respectively, while the strain at ultimate failure is 77% and the average specific compressive stress at ultimate failure is 3.89 x 10(exp 5) N m kg(sup -1). The specific flexural strength is 2.16 x 10(exp 4) N m kg(sup -1). Effects on the compressive behavior of strain rate and low temperature were also evaluated.

Katti, Atul↗
NASA NTRS1982

Quantification of pilot workload via instrument scan

The use of visual scanning behavior as an indicator of pilot workload is described. The relationship between level of performance on a constant piloting task under simulated IFR conditions, the skill of the pilot the level of mental workload induced by an additional verbal task imposed on the basic control task, and visual scanning behavior is investigated. An increase in fixation dwell times, especially on the primary instrument with increased mental loading is indicated. Skilled subjects 'stared' less under increased loading than did novice pilots. Sequences of instrument fixations were also examined. The percentage occurrence of the subject's most used sequences decreased with increased task difficulty for novice subjects but not for highly skilled subjects. Entropy rate (bits/sec) of the sequence of fixations was also used to quantify the scan pattern. It consistently decreased for most subjects as the four loading levels used increased.

Tole, J. R.↗
NASA NTRS2000

Behavioral Health Support of NASA Astronauts for International Space Station Missions

Two areas of focus for optimizing behavioral health and human performance during International Space Station missions are 1) sleep and circadian assessment and 2) behavioral medicine. The Mir experience provided the opportunity to examine the use and potential effectiveness of tools and procedures to support the behavioral health of the crew. The experience of NASA has shown that on-orbit performance can be better maintained if behavioral health, sleep, and circadian issues are effectively monitored and properly addressed. For example, schedules can be tailored based upon fatigue level of crews and other behavioral and cognitive indicators to maximize performance. Previous research and experience with long duration missions has resulted in the development and upgrade of tools used to monitor fatigue, stress, cognitive function, and behavioral health. Self-assessment and objective tools such as the Spaceflight Cognitive Assessment Tool have been developed and refined to effectively address behavioral medicine countermeasures in space.

Sipes, Walter↗
NASA NTRS2012

A New Approach to Monitoring Coastal Marshes for Persistent Flooding

Many areas in coastal Louisiana are below sea level and protected from flooding by a system of natural and man-made levees. Flooding is common when the levees are overtopped by storm surge or rising rivers. Many levees in this region are further stressed by erosion and subsidence. The floodwaters can become constricted by levees and trapped, causing prolonged inundation. Vegetative communities in coastal regions, from fresh swamp forest to saline marsh, can be negatively affected by inundation and changes in salinity. As saltwater persists, it can have a toxic effect upon marsh vegetation causing die off and conversion to open water types, destroying valuable species habitats. The length of time the water persists and the average annual salinity are important variables in modeling habitat switching (cover type change). Marsh type habitat switching affects fish, shellfish, and wildlife inhabitants, and can affect the regional ecosystem and economy. There are numerous restoration and revitalization projects underway in the coastal region, and their effects on the entire ecosystem need to be understood. For these reasons, monitoring persistent saltwater intrusion and inundation is important. For this study, persistent flooding in Louisiana coastal marshes was mapped using MODIS (Moderate Resolution Imaging Spectroradiometer) time series of a Normalized Difference Water Index (NDWI). The time series data were derived for 2000 through 2009, including flooding due to Hurricane Rita in 2005 and Hurricane Ike in 2008. Using the NDWI, duration and extent of flooding can be inferred. The Time Series Product Tool (TSPT), developed at NASA SSC, is a suite of software developed in MATLAB(R) that enables improved-quality time series images to be computed using advanced temporal processing techniques. This software has been used to compute time series for monitoring temporal changes in environmental phenomena, (e.g. NDVI times series from MODIS), and was modified and used to compute the NDWI indices and also the Normalized Difference Soil Index (NDSI). Coastwide Reference Monitoring System (CRMS) water levels from various hydrologic monitoring stations and aerial photography were used to optimize thresholds for MODIS-derived time series of NDWI and to validate resulting flood maps. In most of the profiles produced for post-hurricane assessment, the increase in the NDWI index (from storm surge) is accompanied by a decrease in the vegetation index (NDVI) and then a period of declining water. The NDSI index represents non-green or dead vegetation and increases after the hurricane s destruction of the marsh vegetation. Behavior of these indices over time is indicative of which areas remain flooded, which areas recover to their former levels of vegetative vigor, and which areas are stressed or in transition. Tracking these indices over time shows the recovery rate of vegetation and the relative behavior to inundation persistence. The results from this study demonstrated that identification of persistent marsh flooding, utilizing the tools developed in this study, provided an approximate 70-80 percent accuracy rate when compared to the actual days flooded at the CRMS stations.

Kalcic, M. T.↗
DOE OSTI2022

Q-dependent collective relaxation dynamics of glass-forming liquid Ca0.4K0.6(NO3)1.4 investigated by wide-angle neutron spin-echo

Abstract The relaxation behavior of glass formers exhibits spatial heterogeneity and dramatically changes upon cooling towards the glass transition. However, the underlying mechanisms of the dynamics at different microscopic length scales are not fully understood. Employing the recently developed wide-angle neutron spin-echo spectroscopy technique, we measured the Q -dependent coherent intermediate scattering function of a prototypical ionic glass former Ca 0.4 K 0.6 (NO 3 ) 1.4 , in the highly viscous liquid state. In contrast to the structure modulated dynamics for Q < 2.4 Å −1 , i.e., at and below the structure factor main peak, for Q > 2.4 Å −1 , beyond the first minimum above the structure factor main peak, the stretching exponent exhibits no temperature dependence and concomitantly the relaxation time shows smaller deviations from Arrhenius behavior. This finding indicates a change in the dominant relaxation mechanisms around a characteristic length of 2π/(2.4 Å −1 ) ≈ 2.6 Å, below which the relaxation process exhibits a temperature independent distribution and more Arrhenius-like behavior.

42 ENGINEERING↗
NASA NTRS1997

Solar Cycle Predictions Near Sunspot Minimum

Observations of solar magnetic activity and the dynamics of the solar convection zone have produced severe constraints on models of the Sun's magnetic dynamo. These constraints are so severe that, at present, we do not have numerical models that can accept the current conditions and then march forward in time to predict future activity. Given this state of solar dynamo theory we are forced to examine previous behavior to discover patterns and trends that afford us some measure of predictability. Here we examine the behavior of several indicators of solar activity near solar minimum that are well correlated with the amplitude of the following solar maximum to predict the level of solar activity over cycle 23. Sunspot numbers, areas, and positions are useful for characterizing solar cycle behavior due to the extent of the data (12 cycles or more). These data exhibit several patterns that relate future activity to past behavior. With the Odd-Even effect the odd numbered cycles have been larger than their even numbered predecessors for each of the last six cycle pairs. With the Amplitude-Period effect short period cycles have been followed by large amplitude cycles and long period cycles have been followed by small amplitude cycles for 10 of the last 13 cycles. With the Maximum-Minimum effect the sunspot number at minimum is directly correlated with the sunspot number at maximum for a given cycle. The geomagnetic indices aa and Ap are also related to solar activity by the connections between disturbances in the solar wind and variations in the Earth's magnetic field. Like the Maximum-Minimum effect for sunspots, the size of the aa and Ap indices at minimum are directly related to the amplitude of the following maximum. The number of geomagnetically disturbed days (days with Ap >= 25) over the course of a cycle is another indicator for the size of the next cycle. The aa and Ap indices can each be separated into a component in phase with the current sunspot cycle and an "extended cycle" component that is directly related to the following cycle. Individually each of these indicators provides some measure of predictive ability for the amplitudes of previous cycles. Taken in combination we find that the predictions are much more accurate. Our multi-variate analysis indicates that a maximum sunspot number of 160 +/- 20 should occur near the end of 1999 for cycle 23.

Hathaway, David H.↗
DOE OSTI2025

Synthesis and Characterization of Metastable Cobalt Honeycomb KCoAsO 4

The Kitaev model has served as a long-sought-after target in the realization of a quantum spin liquid that could host Majorana Fermions. Such non-Abelian anyons could revolutionize quantum computing if properly implemented to overcome decoherence. A 3d 7 electronic configuration, like Co 2+ , has been explored by theory and experimental work to design Kitaev materials. Here, in this study, we report the synthesis of a new cobaltate honeycomb material KCoAsO 4 . The compound is synthesized through a low-temperature solution route and crystallized in space group R¯3 with lattice parameters a = 5.0394(1) and c = 28.6790(1) as determined by neutron powder diffraction. The crystal structure follows motifs similar to those of the honeycomb compound BaCo2(AsO 4 ) 2 but presents differing magnetic behavior. Magnetization/heat capacity measurements on the powder show antiferromagnetic transition T N = 14 K. Two lower-temperature transitions are present in susceptibility at low field that resemble spin reorientations. Magnetization data as a function of field have curvature indicative of metamagnetic behavior below the magnetic ordering temperature, with the magnetic ordering suppressed upon application of a higher magnetic field. Computational studies suggest the presence of a weak nearest-neighbor Kitaev term, K 1 , consistent with related honeycomb cobaltates. Together, the data suggest that this material should present a new platform for developing Kitaev quantum spin liquids.

cobaltate↗