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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Modeling battery life through changes in voltage fit coefficients

A number of 12 ampere-hour cells, nickel cadmium, were cycled under various conditions of temperature and depth of discharge. Using this data, it was confirmed that a five parameter fit equation could be used to model the data within a few millivolts. Both charge and discharge curves can be fit with accuracies in the range of one or two millivolts. The fit coefficients when plotted versus cycles show definite trends and patterns which can be used in an operational sense to predict battery voltage as a function of temperature and depth of discharge.

Fox, D.↗
NASA NTRS1992

Enhanced orbital gyrocompassing by the optical flow sensed by an Earth-pointing camera

A new method for improving the orbital gyrocompassing process involving the attitude angle estimation of an earth-pointing satellite in low-Earth orbit uses an electro-optical sensor for direct measurement of the satellite azimuth angle. Simulations have shown that this additional measurement drastically reduces the estimator convergence time, especially when the sun sensor is rendered ineffective, e.g., by high solar elevations. The azimuth-sensing method is based on estimation of the image shift between successive picture frames of an on-board, Earth-pointing, charge-coupled device (CCD) full-matrix camera. The shift-estimation algorithm is based on minimizing a cost function which expresses mean-squared differences in brightness patterns of selected areas of the two frames. An extensive evaluation program with a computer-controlled 2-axis light table and actual satellite images has demonstrated high robustness for a wide range of variation of parameters including image texture content; camera focal length; sampling rate; and number of pixels processed. It was shown to be possible to estimate the azimuth angle within 0.1-0.2 degrees, for a suitably chosen parameter set.

Topaz, Leora↗
DOE OSTI2011

Structural Consequences of Ferroelectric Nanolithography

Domains of remnant polarization can be written into ferroelectrics with nanoscale precision using scanning probe nanolithography techniques such as piezoresponse force microscopy (PFM). Understanding the structural effects accompanying this process has been challenging due to the lack of appropriate structural characterization tools. Synchrotron X-ray nanodiffraction provides images of the domain structure written by PFM into an epitaxial Pb(Zr,Ti)O{sub 3} thin film and simultaneously reveals structural effects arising from the writing process. A coherent scattering simulation including the superposition of the beams simultaneously diffracted by multiple mosaic blocks provides an excellent fit to the observed diffraction patterns. Domains in which the polarization is reversed from the as-grown state have a strain of up to 0.1% representing the piezoelectric response to unscreened surface charges. An additional X-ray microdiffraction study of the photon-energy dependence of the difference in diffracted intensity between opposite polarization states shows that this contrast has a crystallographic origin. The sign and magnitude of the intensity contrast between domains of opposite polarization are consistent with the polarization expected from PFM images and with the writing of domains through the entire thickness of the ferroelectric layer. The strain induced by writing provides a significant additional contribution to the increased free energy of the written domain state with respect to a uniformly polarized state.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Charging Reactions Promoted by Geometrically Necessary Dislocations in Battery Materials Revealed by In Situ Single-Particle Synchrotron Measurements

Crystallographic defects exist in many redox active energy materials, e.g., battery and catalyst materials, which significantly alter their chemical properties for energy storage and conversion. However, there is lack of quantitative understanding of the interrelationship between crystallographic defects and redox reactions. Herein, crystallographic defects, such as geometrically necessary dislocations, are reported to influence the redox reactions in battery particles through single-particle, multimodal, and in situ synchrotron measurements. Through Laue X-ray microdiffraction, many crystallographic defects are spatially identified and statistically quantified from a large quantity of diffraction patterns in many layered oxide particles, including geometrically necessary dislocations, tilt boundaries, and mixed defects. The in situ and ex situ measurements, combining microdiffraction and X-ray spectroscopy imaging, reveal that LiCoO 2 particles with a higher concentration of geometrically necessary dislocations provide deeper charging reactions, indicating that dislocations may facilitate redox reactions in layered oxides during initial charging. The present study illustrates that a precise control of crystallographic defects and their distribution can potentially promote and homogenize redox reactions in battery materials.

25 ENERGY STORAGE↗
DOE OSTI2017

Enhancing Mo:BiVO 4 Solar Water Splitting with Patterned Au Nanospheres by Plasmon-Induced Energy Transfer [Rational Nanopositioning for BiVO 4 Solar Water Splitting by Plasmon-induced Energy Transfer]

Here, plasmonic metal nanostructures have been extensively investigated to improve the performance of metal oxide photoanodes for photoelectrochemical (PEC) solar water splitting cells. Most of these studies have focused on the effects of those metal nanostructures on enhancing light absorption and enabling direct energy transfer via hot electrons. However, several recent studies have shown that plasmonic metal nanostructures can improve the PEC performance of metal oxide photoanodes via another mechanism known as plasmon–induced resonant energy transfer (PIRET). However, this PIRET effect has not yet been tested for the molybdenum–doped bismuth vanadium oxide (Mo:BiVO 4 ), regarded as one of the best metal oxide photoanode candidates. Here, this study constructs a hybrid Au nanosphere/Mo:BiVO 4 photoanode interwoven in a hexagonal pattern to investigate the PIRET effect on the PEC performance of Mo:BiVO 4 . This study finds that the Au nanosphere array not only increases light absorption of the photoanode as expected, but also improves both its charge transport and charge transfer efficiencies via PIRET, as confirmed by time–correlated single photon counting and transient absorption studies. As a result, incorporating the Au nanosphere array increases the photocurrent density of Mo:BiVO 4 at 1.23 V versus RHE by ≈2.2–fold (2.83 mA cm –2 ).

36 MATERIALS SCIENCE↗
DOE OSTI2020

Graph Neural Networks for Particle Reconstruction in High Energy Physics detectors

Pattern recognition problems in high energy physics are notably different from traditional machine learning applications in computer vision. Reconstruction algorithms identify and measure the kinematic properties of particles produced in high energy collisions and recorded with complex detector systems. Two critical applications are the reconstruction of charged particle trajectories in tracking detectors and the reconstruction of particle showers in calorimeters. These two problems have unique challenges and characteristics, but both have high dimensionality, high degree of sparsity, and complex geometric layouts. Graph Neural Networks (GNNs) are a relatively new class of deep learning architectures which can deal with such data effectively, allowing scientists to incorporate domain knowledge in a graph structure and learn powerful representations leveraging that structure to identify patterns of interest. In this work we demonstrate the applicability of GNNs to these two diverse particle reconstruction problems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Breakdown front dynamics of streamer-like discharge in electron-charged polymethyl methacrylate

We present the results of an experimental study of fast breakdown in electron-charged polymethyl methacrylate. We irradiate bulk polymethyl methacrylate disks with diameters up to one meter at different implanted charge densities and measure the discharge current during the forced electrical breakdown of the material. We infer the breakdown dynamics from these current waveforms, including the velocity and time dependence of the electric field driving the breakdown, and compare these results with the physical electrical tree patterns left behind in the material. We find that the dynamics and physical characteristics of the breakdown channels in electron-irradiated solids depart from typical expectations of electrical treeing behavior in solid materials. Thus, we interpret these results as an expression of streamer discharges in dense gases motivated by the existence of trapped gases in the solid due to radiation damage. We show that the dynamics of the breakdown channels in the electron-charged solid dielectric material is well described by applying standard streamer physics to this physical system. The results show that the dynamics of breakdown channels in solid dielectric material is a promising avenue to further understand streamer discharges in different media under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Novel nanocomposites based on polythiophene and zirconium dioxide

Highlights: • Crystallinity of polythiophene decreased with doping process. • Zirconium dioxide changed the surface morphology of PT significantly. • Doping process increased the glass transition temperature of polythiophene. • Charge transport mechanism of all samples is consistent with CBH model. - Abstract: This paper reports charge transport mechanism of polythiophene (PT) and its nanocomposites having various weight of zirconium dioxide (ZrO{sub 2}). Fourier transform infrared (FT-IR) spectral studies showed that the Zr ions mostly affected the C−S bond of the polythiophene. X-ray diffraction (XRD) patterns indicated that ZrO{sub 2} powder was a mixture of monoclinic (64.62%) and tetragonal (35.38%) phase. XRD measurements revealed that crystallinity of PT decreased with increasing doping level. Significant morphological differences were observed in scanning electron microscopy (SEM) images of PT depending on the doping process. Thermal analysis carried out by differential scanning calorimetry (DSC) indicated that the doping processes increased glass transition temperature of PT. The alternating current (ac) conductivity mechanism analysis by universal power law indicated that charge transport mechanism of both PT and PT/ZrO{sub 2} nanocomposites was consistent with correlated barrier hopping (CBH) model. The doping process and frequency affected the hopping distance between the sites.

36 MATERIALS SCIENCE↗
DOE OSTI2023

1 kV Self-Aligned Vertical GaN Superjunction Diode

This work demonstrates vertical GaN superjunction (SJ) diodes fabricated via a novel self-aligned process. The SJ comprises n-GaN pillars wrapped by the charge-balanced p-type nickel oxide (NiO). After the NiO sputtering around GaN pillars, the self-aligned process exposes the top pillar surfaces without the need for additional lithography or a patterned NiO etching which is usually difficult. The GaN SJ diode shows a breakdown voltage (B V) of 1100 V, a specific on-resistance (R ON ) of 0.4 mΩ· cm2, and a SJ drift-region resistance ( R dr ) of 0.13 mΩ· cm2. Further, the device also exhibits good thermal stability with B V retained over 1 kV and R ON dropped to 0.3 mΩ· cm2 at 125°C. The trade-off between B V and R dr is superior to the 1D GaN limit. These results show the promise of vertical GaN SJ power devices. The self-aligned process is applicable for fabricating the heterogeneous SJ based on various wide- and ultra-wide bandgap semiconductors.

42 ENGINEERING↗
DOE OSTI2022

Model-Based Framework to Optimize Charger Station Deployment for Battery Electric Vehicles

The development of battery electric vehicles (BEVs) is accelerating due to their environmental advantages over gasoline and diesel-powered vehicles, including a decrease in air pollution and an increase in energy efficiency. The deployment of charging infrastructure will need to increase to keep pace with demand, especially for large commercial vehicles for which few public chargers currently exist. In this paper, a new flexible framework is proposed for optimizing the placement of charging stations for BEVs, within which different physical models and optimization techniques may be used. Furthermore, a set of metrics is suggested to help enforce complex constraints and facilitate direct comparison between different optimization techniques. Unlike many existing charger placement techniques, the proposed method directly considers the historical driving patterns on a vehicle-by-vehicle basis, using transparent models to assess impacts of candidate charger placements, thus improving the explainability of the results. In the developed framework, modeled BEVs are first generated along the road network to mimic historical traffic data and are simulated traveling along a given route according to a simplified vehicle model. During the simulation, the charger placement problem is initially relaxed to allow vehicles to charge at any node along the road network, and vehicle states are tracked to assess areas of high charging demand. Charging stations are then placed based on the results of the relaxed simulation, and suggested placements are evaluated via road network simulation with fixed charger locations. This proposed framework is applied to a sample problem of placing charging stations along five major highway corridors for Class 8 over-the-road electric trucks. A novel mixed integer programming (MIP) formulation is proposed to optimize charger placements based upon the expected charging demand. Constraints were imposed on the final placement results to limit expected wait times at each station and ensure a minimum threshold of trucking routes are viable for BEVs. The results demonstrate the flexibility and potential effectiveness of the developed model-based framework for scalable charger station deployment.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Quantitative metrics for assessment of chemical image quality and spatial resolution

Rationale: Currently objective/quantitative descriptions of the quality and spatial resolution of mass spectrometry derived chemical images are not standardized. Development of these standardized metrics is required to objectively describe chemical imaging capabilities of existing and/or new mass spectrometry imaging technologies. Such metrics would allow unbiased judgment of intra-laboratory advancement and/or inter-laboratory comparison for these technologies if used together with standardized surfaces. Methods: We developed two image metrics, viz., chemical image contrast (ChemIC) based on signal-to-noise related statistical measures on chemical image pixels and corrected resolving power factor (cRPF) constructed from statistical analysis of mass-to-charge chronograms across features of interest in an image. These metrics, quantifying chemical image quality and spatial resolution, respectively, were used to evaluate chemical images of a model photoresist patterned surface collected using a laser ablation/liquid vortex capture mass spectrometry imaging system under different instrument operational parameters. Results: The calculated ChemIC and cRPF metrics determined in an unbiased fashion the relative ranking of chemical image quality obtained with the laser ablation/liquid vortex capture mass spectrometry imaging system. These rankings were used to show that both chemical image contrast and spatial resolution deteriorated with increasing surface scan speed, increased lane spacing and decreasing size of surface features. Conclusions: ChemIC and cRPF, respectively, were developed and successfully applied for the objective description of chemical image quality and spatial resolution of chemical images collected from model surfaces using a laser ablation/liquid vortex capture mass spectrometry imaging system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Magnetic Properties and Photocatalytic Behavior of Co Co-doped BiFeO{sub 3}:Er

The multiferroic materials Bi{sub 0.95}Er{sub 0.05}Fe{sub 1−x}Co{sub x} O{sub 3} (x = 0, 0.01, 0.03, and 0.05) are synthesized by solvothermal method. X-ray diffraction pattern is used to confirm the formation of rhombohedral crystal structure. TEM images show agglomerated nanosize particles. With the concentration of Co, a red shift is observed in the charge transfer transition of O{sub 2p}-Fe{sub 3d} band and band gap decreases. At higher concentration of Co, the saturation magnetization enhances and coercivity also varies with the concentration of Co. The photocatalytic degradation of methylene blue is evaluated under the visible light with the assistance of H{sub 2}O{sub 2}. With the increase in Co concentration, the photocatalytic activity decreases. The main species responsible for the degradation is found out using scavengers like ammonium oxalate, silver nitrate, p-benzoquinone, and tert-butyl-alcohol. The possible mechanism for the degradation of dye is explained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Imaging electrostatically confined Dirac fermions in graphene quantum dots

Electrostatic confinement of charge carriers in graphene is governed by Klein tunnelling, a relativistic quantum process in which particle-hole transmutation leads to unusual anisotropic transmission at p-n junction boundaries. Reflection and transmission at these boundaries affect the quantum interference of electronic waves, enabling the formation of novel quasi-bound states. Here we report the use of scanning tunnelling microscopy to map the electronic structure of Dirac fermions confined in quantum dots defined by circular graphene p-n junctions. The quantum dots were fabricated using a technique involving local manipulation of defect charge within the insulating substrate beneath a graphene monolayer. Inside such graphene quantum dots we observe resonances due to quasi-bound states and directly visualize the quantum interference patterns arising from these states. Outside the quantum dots Dirac fermions exhibit Friedel oscillation-like behaviour. Bolstered by a theoretical model describing relativistic particles in a harmonic oscillator potential, our findings yield insights into the spatial behaviour of electrostatically confined Dirac fermions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Iron near absorption edge X-ray spectroscopy at aqueous-membrane interfaces

Employing synchrotron X-ray scattering, we systematically determine the absorption near-edge spectra (XANES) of iron in its ferrous (Fe2+) and ferric (Fe3+) states both as ions in aqueous solutions and as they bind to form a single layer to anionic templates that consist of carboxyl or phosphate groups at aqueous/vapor interfaces. While the XANES of bulk iron ions show that the electronic state and coordination of iron complexes in the bulk are isotropic, the interfacial bound ions show a signature of a broken inversion-symmetry environment. The XANES of Fe2+ and Fe3+ in the bulk possess distinct profiles however, upon binding they practically exhibit similar patterns. This indicates that both bound ions settle into a stable electronic and coordination configuration with an effective fractional valence (for example, Fe[2+nu]+, 0 < nu < 1) at charged organic templates. Such two dimensional properties may render interfacial iron, abundant in living organisms, a more efficient and versatile catalytic behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Titanium embedded cage structure formation in Al{sub n}Ti{sup +} clusters and their interaction with Ar

Recently, Ar physisorption was used as a structural probe for the location of the Ti dopant atom in aluminium cluster cations, Al{sub n}Ti{sup +} [Lang et al., J. Am. Soc. Mass Spectrom. 22, 1508 (2011)]. As an experiment result, the lack of Ar complexes for n > n{sub c} determines the cluster size for which the Ti atom is located inside of an Al cage. To elucidate the decisive factors for the formation of endohedrally Al{sub n}Ti{sup +}, experimentalists proposed detailed computational studies as indispensable. In this work, we investigated, using the density functional theory, the structural and electronic properties of singly titanium doped cationic clusters, Al{sub n}Ti{sup +} (n = 16–21) as well as the adsorption of an Ar atom on them. The first endohedral doped cluster, with Ti encapsulated in a fcc-like cage skeleton, appears at n{sub c} = 21, which is the critical number consistent with the exohedral-endohedral transition experimentally observed. At this critical size the non-crystalline icosahedral growth pattern, related to the pure aluminium clusters, with the Ti atom in the surface, changes into a endohedral fcc-like pattern. The map of structural isomers, relative energy differences, second energy differences, and structural parameters were determined and analyzed. Moreover, we show the critical size depends on the net charge of the cluster, being different for the cationic clusters (n{sub c} = 21) and their neutral counterparts (n{sub c} = 20). For the Al {sub n} Ti {sup +} · Ar complexes, and for n < 21, the preferred Ar adsorption site is on top of the exohedral Ti atom, with adsorption energy in very good agreement with the experimental value. Instead, for n = 21, the Ar adsorption occurs on the top an Al atom with very low absorption energy. For all sizes the geometry of the Al{sub n}Ti{sup +} clusters keeps unaltered in the Ar-cluster complexes. This fact indicates that Ar adsorption does not influence the cluster structure, providing support to the experimental technique used. For n{sub c} = 21, the smallest size of endohedral Ti doped cationic clusters, the Ar binding energy decreases drastically, whereas the Ar-cluster distance increases substantially, point to Ar physisorption, as assumed by the experimentalists. Calculated Ar adsorption energies agree well with available experimental binding energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Molecular dynamics of the water liquid-vapor interface

The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points from the vapor to the liquid. The most common orientations of water molecules have the C2 nu molecular axis roughly parallel to the interface. The distributions are quite broad and therefore compatible with the intermolecular correlations characteristic of bulk liquid water. All near-neighbor pairs in the outermost interfacial layers are hydrogen bonded according to the common definition adopted here. The orientational preferences of water molecules near a free surface differ from those near rigidly planar walls which can be interpreted in terms of patterns found in hexagonal ice 1. The mean electric field in the interfacial region is parallel to the mean polarization which indicates that attention cannot be limited to dipolar charge distributions in macroscopic descriptions of the electrical properties of this interface. The value of the surface tension obtained is 132 +/- 46 dyn/cm, significantly different from the value for experimental water of 68 dyn/cm at 325 K.

NASA Center ARC↗
NASA NTRS2006

Pattern-Recognition Processor Using Holographic Photopolymer

proposed joint-transform optical correlator (JTOC) would be capable of operating as a real-time pattern-recognition processor. The key correlation-filter reading/writing medium of this JTOC would be an updateable holographic photopolymer. The high-resolution, high-speed characteristics of this photopolymer would enable pattern-recognition processing to occur at a speed three orders of magnitude greater than that of state-of-the-art digital pattern-recognition processors. There are many potential applications in biometric personal identification (e.g., using images of fingerprints and faces) and nondestructive industrial inspection. In order to appreciate the advantages of the proposed JTOC, it is necessary to understand the principle of operation of a conventional JTOC. In a conventional JTOC (shown in the upper part of the figure), a collimated laser beam passes through two side-by-side spatial light modulators (SLMs). One SLM displays a real-time input image to be recognized. The other SLM displays a reference image from a digital memory. A Fourier-transform lens is placed at its focal distance from the SLM plane, and a charge-coupled device (CCD) image detector is placed at the back focal plane of the lens for use as a square-law recorder. Processing takes place in two stages. In the first stage, the CCD records the interference pattern between the Fourier transforms of the input and reference images, and the pattern is then digitized and saved in a buffer memory. In the second stage, the reference SLM is turned off and the interference pattern is fed back to the input SLM. The interference pattern thus becomes Fourier-transformed, yielding at the CCD an image representing the joint-transform correlation between the input and reference images. This image contains a sharp correlation peak when the input and reference images are matched. The drawbacks of a conventional JTOC are the following: The CCD has low spatial resolution and is not an ideal square-law detector for the purpose of holographic recording of interference fringes. A typical state-of-the-art CCD has a pixel-pitch limited resolution of about 100 lines/mm. In contrast, the holographic photopolymer to be used in the proposed JTOC offers a resolution > 2,000 lines/mm. In addition to being disadvantageous in itself, the low resolution of the CCD causes overlap of a DC term and the desired correlation term in the output image. This overlap severely limits the correlation signal-to-noise ratio. The two-stage nature of the process limits the achievable throughput rate. A further limit is imposed by the low frame rate (typical video rates) of low- and medium-cost commercial CCDs.

Chao, Tien-Hsin↗