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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

General methods for determining the linear stability of coronal magnetic fields

A time integration of a linearized plasma equation of motion has been performed to calculate the ideal linear stability of arbitrary three-dimensional magnetic fields. The convergence rates of the explicit and implicit power methods employed are speeded up by using sequences of cyclic shifts. Growth rates are obtained for Gold-Hoyle force-free equilibria, and the corkscrew-kink instability is found to be very weak.

Craig, I. J. D.↗
DOE OSTI2016

NEMA NU 2-2012 performance studies for the SiPM-based ToF-PET component of the GE SIGNA PET/MR system

Purpose: The GE SIGNA PET/MR is a new whole body integrated time-of-flight (ToF)-PET/MR scanner from GE Healthcare. The system is capable of simultaneous PET and MR image acquisition with sub-400 ps coincidence time resolution. Simultaneous PET/MR holds great potential as a method of interrogating molecular, functional, and anatomical parameters in clinical disease in one study. Despite the complementary imaging capabilities of PET and MRI, their respective hardware tends to be incompatible due to mutual interference. In this work, the GE SIGNA PET/MR is evaluated in terms of PET performance and the potential effects of interference from MRI operation. Methods: The NEMA NU 2-2012 protocol was followed to measure PET performance parameters including spatial resolution, noise equivalent count rate, sensitivity, accuracy, and image quality. Each of these tests was performed both with the MR subsystem idle and with continuous MR pulsing for the duration of the PET data acquisition. Most measurements were repeated at three separate test sites where the system is installed. Results: The scanner has achieved an average of 4.4, 4.1, and 5.3 mm full width at half maximum radial, tangential, and axial spatial resolutions, respectively, at 1 cm from the transaxial FOV center. The peak noise equivalent count rate (NECR) of 218 kcps and a scatter fraction of 43.6% are reached at an activity concentration of 17.8 kBq/ml. Sensitivity at the center position is 23.3 cps/kBq. The maximum relative slice count rate error below peak NECR was 3.3%, and the residual error from attenuation and scatter corrections was 3.6%. Continuous MR pulsing had either no effect or a minor effect on each measurement. Conclusions: Performance measurements of the ToF-PET whole body GE SIGNA PET/MR system indicate that it is a promising new simultaneous imaging platform.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Field Testing of Self-Healing Metallic Coatings for Internal Corrosion Protection of Natural Gas Pipelines

Internal corrosion occurs in natural gas pipelines primarily due to the presence of water, carbon dioxide, and hydrogen sulfide. Internal corrosion can eventually result in leakage, cracks, and rupture of the pipeline. The objective of this work is to mitigate internal corrosion in steel pipelines transporting natural gas using cold spray coatings. The corrosion behavior of carbon steel coated with self-healing zinc chromium (ZnCr) and zinc niobium (ZnNb) cold spray coatings was investigated in a natural gas environment. For comparison purposes, hot-dip galvanized steel (HDGS) was tested under the same conditions as cold spray coatings. The field test was performed at the NW Natural gas storage facility in Mist, Oregon. The field test was conducted in a 6-inch diameter pipe transporting wet natural gas out of an underground storage well at 500 psi and 4.4 °C. The coupons were tested for 15 and 32 days under stagnant and flow conditions, respectively. Weight loss method was used to measure the corrosion rate of metallic coatings. Post-corrosion surface characterization was performed on the specimen using a scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectroscopy (EDS). Crystalline phases were determined by X-ray diffraction (XRD). The field-test results confirmed that the metallic coatings provided corrosion protection of carbon steel exposed to wet natural gas under stagnant and flow conditions. The formation of the ZnCO 3 layer on top of ZnNb and ZnCr coatings led to passivation of the coatings which helps to reduce the self-corrosion. These layers form a barrier for diffusion of corrosive species to the surface.

03 NATURAL GAS↗
DOE OSTI2016

Kinetic Analysis of Competitive Electrocatalytic Pathways: New Insights into Hydrogen Production with Nickel Electrocatalysts

The hydrogen production electrocatalyst Ni(PPh2NPh2)22+ (1) is capable of traversing multiple electrocatalytic pathways. When using dimethylformamidium, DMF(H)+, the mechanism of formation of H2 catalyzed by 1 changes from an ECEC to an EECC mechanism as the potential approaches the Ni(I/0) couple. Two recent electrochemical methods, current-potential analysis and foot-of-the-wave analysis (FOWA), were performed on 1 to measure the detailed chemical kinetics of the competing ECEC and EECC pathways. A sensitivity analysis was performed on the electrochemical methods using digital simulations to gain a better understanding of their strengths and limitations. Notably, chemical rate constants were significantly underestimated when not accounting for electron transfer kinetics, even when electron transfer was fast enough to afford a reversible non-catalytic wave. The EECC pathway of 1 was found to be faster than the ECEC pathway under all conditions studied. Using buffered DMF: DMF(H)+ mixtures led to an increase in the catalytic rate constant (kobs) of the EECC pathway, but kobs for the ECEC pathway did not change when using buffered acid. Further kinetic analysis of the ECEC path revealed that added base increases the rate of isomerization of the exo-protonated Ni(0) isomers to the catalytically active endo-isomers, but decreases the net rate of protonation of Ni(I). FOWA on 1 did not provide accurate rate constants due to incomplete reduction of the exo-protonated Ni(I) intermediate at the foot of the wave, but FOWA could be used to estimate the reduction potential of this previously undetected intermediate. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

electrocatalysis↗
DOE OSTI2016

High-Rate, Durable Sodium-Ion Battery Cathode Enabled by Carbon-Coated Micro-Sized Na 3 V 2 (PO 4 ) 3 Particles with Interconnected Vertical Nanowalls

Na-ion batteries have been regarded as promising alternatives for Li-ion batteries due to the extensive sodium reserves in the world. Na3V2(PO4)3 has been proved to be a good candidate of the cathode materials in Na-ion batteries but the intrinsic low electrical conductivity and sluggish kinetics handicapped its application. Here, 3D hierarchical Na3V2(PO4)3 particles are synthesized by a facile hydrothermal method, constructed by carbon-coated 2D Na3V2(PO4)3 nanowalls. Superior cell performance of high rate capability and cycle stability are observed in the well-defined structure. As the cathode in Na-ion batteries, it delivers a high capacity almost reaching the theoretical one and exhibits high capacity retention. The enhanced rate capability and cycle performance can be attributed to the improved electrical conductivity from the interconnected carbon layer and the shortened ion diffusion length and high specific surface area from the nanowalls.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Calorimetric classification of track-like signatures in liquid argon TPCs using MicroBooNE data

The MicroBooNE liquid argon time projection chamber located at Fermilab is a neutrino experiment dedicated to the study of short-baseline oscillations, the measurements of neutrino cross sections in liquid argon, and to the research and development of this novel detector technology. Accurate and precise measurements of calorimetry are essential to the event reconstruction and are achieved by leveraging the TPC to measure deposited energy per unit length along the particle trajectory, with mm resolution. We describe the non-uniform calorimetric reconstruction performance in the detector, showing dependence on the angle of the particle trajectory. Such non-uniform reconstruction directly affects the performance of the particle identification algorithms which infer particle type from calorimetric measurements. This work presents a new particle identification method which accounts for and effectively addresses such non-uniformity. The newly developed method shows improved performance compared to previous algorithms, illustrated by a 93.7% proton selection efficiency and a 10% muon mis-identification rate, with a fairly loose selection of tracks performed on beam data. The performance is further demonstrated by identifying exclusive final states in ν μ CC interactions. While developed using MicroBooNE data and simulation, this method is easily applicable to future LArTPC experiments, such as SBND, ICARUS, and DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Energy levels and radiative transition rates for Ba XLVIII

Highlights: • Lowest 431 levels of Ba XLVIII are calculated. • Radiative data for E1, E2, M1 and M2 transitions from the lowest 3 levels to 431 levels are presented. • Lifetimes for lowest 431 fine structure levels are provided. Energy levels and radiative rates are reported for transitions in F-like Ba XLVIII. Configuration interaction has been included among 27 configurations (generating 431 levels) over a wide energy range up to 618 Rydbergs, and the fully relativistic multi-configurational Dirac–Fock method adopted for the calculations. To assess the accuracy, calculations have also been performed with the flexible atomic code, FAC. Radiative rates, oscillator strengths and line strengths are reported for all electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transitions from the lowest 3 levels, although calculations have been performed for a much larger number of levels. We have made comparisons of our results with existing available results and a good agreement has been achieved. Additionally, lifetimes for all 431 levels are listed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Poster — Thur Eve — 47: Monte Carlo Simulation of Scp, Sc and Sp

The in-water output ratio (Scp), in-air output ratio (Sc), and phantom scattering factor (Sp) are important parameters for radiotherapy dose calculation. Experimentally, Scp is obtained by measuring the dose rate ratio in water phantom, and Sc the water Kerma rate ratio in air. There is no method that allows direct measurement of Sp. Monte Carlo (MC) method has been used to simulate Scp and Sc in literatures, similar to experimental setup, but no MC direct simulation of Sp available yet to the best of our knowledge. We propose in this report a method of performing direct MC simulation of Sp. Starting from the definition, we derived that Sp of a clinical photon beam can be approximated by the ratio of the dose rates contributed from the primary beam for a given field size to the reference field size. Since only the primary beam is used, any Linac head scattering should be excluded from the simulation, which can be realized by using the incident electron as a scoring parameter for MU. We performed MC simulations for Scp, Sc and Sp. Scp matches well with golden beam data. Sp obtained by the proposed method agrees well with what is obtained using the traditional method, Sp=Scp/Sc. Since the smaller the field size, the more the primary beam dominates, our Sp simulation method is accurate for small field. By analyzing the calculated data, we found that this method can be used with no problem for large fields. The difference it introduced is clinically insignificant.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Comparative Study of Xylan Extracted by Sodium and Potassium Hydroxides (NaOH and KOH) from Bagasse Pulp: Characterization and Morphological Properties

Xylan is the second most abundant polysaccharide and the predominant hemicellulose component of soda bagasse pulp. The present endeavor focuses on increasing the value addition to underutilized agro-industrial residue such as bagasse. For this purpose, xylan was isolated by two conventional alkali extraction methods i.e. NaOH and KOH. The recovery rate and sugar composition of different reaction times and alkali consumptions were monitored with advanced method such as High Performance Liquid Chromatography (HPLC). The Fourier Transform Infrared Spectroscopy (FTIR) and Wide Angle X-ray spectroscopy (WAXS) were respectively employed to characterize the functional groups and Crystallinity Index (CrI) changes during the extraction process. It was explored that highest xylan recovery rates were obtained with 6% of NaOH at 120 min and 6% KOH at 45 min. The xylan morphology via WAXS was found that its structure to be amorphous. HPLC results also showed KOH had higher effectiveness than NaOH in terms of extracted xylan purity. Highest XGRs (Xylose to Glucose Ratios) were also achieved by KOH processes. Hence, this study contributes to the adequate utilization of agricultural residues, with promising potential for applications in the production of certain novel materials and chemical conversion industries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

SU-E-T-144: Bayesian Inference of Local Relapse Data Using a Poisson-Based Tumour Control Probability Model

Purpose: The purpose of this project is to develop a robust method of parameter estimation for a Poisson-based TCP model using Bayesian inference. Methods: Bayesian inference was performed using the PyMC3 probabilistic programming framework written in Python. A Poisson-based TCP regression model that accounts for clonogen proliferation was fit to observed rates of local relapse as a function of equivalent dose in 2 Gy fractions for a population of 623 stage-I non-small-cell lung cancer patients. The Slice Markov Chain Monte Carlo sampling algorithm was used to sample the posterior distributions, and was initiated using the maximum of the posterior distributions found by optimization. The calculation of TCP with each sample step required integration over the free parameter α, which was performed using an adaptive 24-point Gauss-Legendre quadrature. Convergence was verified via inspection of the trace plot and posterior distribution for each of the fit parameters, as well as with comparisons of the most probable parameter values with their respective maximum likelihood estimates. Results: Posterior distributions for α, the standard deviation of α (σ), the average tumour cell-doubling time (Td), and the repopulation delay time (Tk), were generated assuming α/β = 10 Gy, and a fixed clonogen density of 10{sup 7} cm−{sup 3}. Posterior predictive plots generated from samples from these posterior distributions are in excellent agreement with the observed rates of local relapse used in the Bayesian inference. The most probable values of the model parameters also agree well with maximum likelihood estimates. Conclusion: A robust method of performing Bayesian inference of TCP data using a complex TCP model has been established.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1998

Improved Modeling of Finite-Rate Turbulent Combustion Processes in Research Combustors

The objective of this thesis is to further develop and test a stochastic model of turbulent combustion in recirculating flows. There is a requirement to increase the accuracy of multi-dimensional combustion predictions. As turbulence affects reaction rates, this interaction must be more accurately evaluated. In this work a more physically correct way of handling the interaction of turbulence on combustion is further developed and tested. As turbulence involves randomness, stochastic modeling is used. Averaged values such as temperature and species concentration are found by integrating the probability density function (pdf) over the range of the scalar. The model in this work does not assume the pdf type, but solves for the evolution of the pdf using the Monte Carlo solution technique. The model is further developed by including a more robust reaction solver, by using accurate thermodynamics and by more accurate transport elements. The stochastic method is used with Semi-Implicit Method for Pressure-Linked Equations. The SIMPLE method is used to solve for velocity, pressure, turbulent kinetic energy and dissipation. The pdf solver solves for temperature and species concentration. Thus, the method is partially familiar to combustor engineers. The method is compared to benchmark experimental data and baseline calculations. The baseline method was tested on isothermal flows, evaporating sprays and combusting sprays. Pdf and baseline predictions were performed for three diffusion flames and one premixed flame. The pdf method predicted lower combustion rates than the baseline method in agreement with the data, except for the premixed flame. The baseline and stochastic predictions bounded the experimental data for the premixed flame. The use of a continuous mixing model or relax to mean mixing model had little effect on the prediction of average temperature. Two grids were used in a hydrogen diffusion flame simulation. Grid density did not effect the predictions except for peak temperature and tangential velocity. The hybrid pdf method did take longer and required more memory, but has a theoretical basis to extend to many reaction steps which cannot be said of current turbulent combustion models.

VanOverbeke, Thomas J.↗
DOE OSTI2018

Accelerated tert -butyloxycarbonyl deprotection of amines in microdroplets produced by a pneumatic spray

Protection and deprotection of organic compounds in multistep reactions using functional groups such as tert-butoxycarbonyl (Boc), is widely performed in synthetic organic chemistry. Reaction rate acceleration studies in spray-based ionization methods (electrosonic spray, paper spray, nanospray) have become increasingly common. In this report, we demonstrate reaction rate acceleration of Boc deprotection using easy ambient sonic-spray ionization (EASI), a pneumatic technique which does not involve an applied voltage, in a teaching laboratory setting. The goal of this laboratory exercise was to explore acceleration in a previously unexplored spray-based reaction, while emphasizing in a pedagogic setting the importance of protecting groups for multistep synthesis. Rate acceleration factors of more than an order of magnitude were observed in the uncharged micron-sized droplets generated by EASI. The effect of reaction conditions on reaction acceleration was examined including changes in the type of acid, reagent concentration ratios and syringe pump flow rates. Student knowledge was assessed by pre-laboratory assignments, post-laboratory reports and oral interviews.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Microstructure evolution of Li uptake/removal in MoO{sub 2}@C nanoparticles with high lithium storage performance

Highlights: • The carbon-coated MoO{sub 2} (MoO{sub 2}@C) ultra fine nanoparticles are synthesized by one-pot hydrothermal method. • MoO{sub 2}@C nanoparticles have high specific capacity, excellent cycling performance and rate performance. • Phase transformations for lithium ion uptake/removal are examined carefully by TEM. • Phase transformations are highly reversible during the redox process. - Abstract: A facile one pot strategy of a hydrothermal methodology was applied to synthesize the carbon coated MoO{sub 2} (MoO{sub 2}@C) nanostructured particles, which are composed of ultra fine nanoparticles with homogeneous carbon coating about several nanometers. As an electrode in lithium ion batteries, the MoO{sub 2}@C shows a high specific capacity and reversible capacity (730 mA h g{sup −1} after 60 cycles). Microstructure investigations, by using a high resolution transmission electron microscopy, of the MoO{sub 2}@C based electrodes employed at various states during the first discharge/charge cycle were conducted to elucidate the lithium ion uptake/removal mechanism and cycling behavior. In the lithium uptake process, the original MoO{sub 2} phase transfers into Li{sub 0.98}MoO{sub 2} through an addition type reaction, and then nanosized metallic Mo emerges as a result of a conversion reaction. In turn, Mo could be oxidized to the intermediate Li{sub 0.98}MoO{sub 2} before converting to hyperfine MoO{sub 2} phase on upcoming lithium removal process.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Energetic decomposition yields efficient bimetallic Cu MOF-derived catalysts

Metal–organic frameworks (MOFs) have recently emerged as efficient self-sacrificial templates to fabricate porous carbon-supported metal nanoparticles (NPs). Due to observed increased activity, catalysts containing bimetallic NPs represent an active frontier for heterogeneous catalyst development. A strategy to synthesize active catalysts with highly dispersed bimetallic metal/metal oxides within a porous carbon matrix via rapid MOF decomposition using dopants is presented in this paper. A 2,4,6-trinitrotoluene (TNT) additive enhances the rapid thermolysis of the metal-doped Cu-based MOFs to minimize particle aggregation. Catalyst characterization reveals that a secondary metal increases dispersion of both metals over the carbon composite support. The catalyst preparation method influences both the metal particle size and oxidation state. Catalytic performance shows increased rates for 4-nitrophenol reduction even with <1 wt% of added secondary metal. Among the synthesized catalysts, the Ni–CuO@C bimetallic catalyst exhibits outstanding activity. This synthetic strategy is useful for creating highly efficient, robust, non-noble metal catalysts for development of sustainable chemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Convolutional neural network identification of galaxy post-mergers in UNIONS using IllustrisTNG

ABSTRACT The Canada–France Imaging Survey (CFIS) will consist of deep, high-resolution r-band imaging over ∼5000 deg2 of the sky, representing a first-rate opportunity to identify recently merged galaxies. Because of the large number of galaxies in CFIS, we investigate the use of a convolutional neural network (CNN) for automated merger classification. Training samples of post-merger and isolated galaxy images are generated from the IllustrisTNG simulation processed with the observational realism code RealSim. The CNN’s overall classification accuracy is 88 per cent, remaining stable over a wide range of intrinsic and environmental parameters. We generate a mock galaxy survey from IllustrisTNG in order to explore the expected purity of post-merger samples identified by the CNN. Despite the CNN’s good performance in training, the intrinsic rarity of post-mergers leads to a sample that is only ∼6 per cent pure when the default decision threshold is used. We investigate trade-offs in purity and completeness with a variable decision threshold and find that we recover the statistical distribution of merger-induced star formation rate enhancements. Finally, the performance of the CNN is compared with both traditional automated methods and human classifiers. The CNN is shown to outperform Gini–M20 and asymmetry methods by an order of magnitude in post-merger sample purity on the mock survey data. Although the CNN outperforms the human classifiers on sample completeness, the purity of the post-merger sample identified by humans is frequently higher, indicating that a hybrid approach to classifications may be an effective solution to merger classifications in large surveys.

Bickley, Robert W.↗
DOE OSTI2015

Synthesis and Luminescence Characteristics of Cr 3+ doped Y 3 Al 5 O 12 Phosphors

Luminescence performance of yttrium aluminum garnet (Y 3 Al 5 O 12 ) phosphors as a function of Cr 3+ concentration has been investigated via two different wet-chemical synthesis techniques, direct- (DP) and hydrothermal-precipitation (HP). Using either of these methods, the red-emitting phosphor [Y 3 Al 5-x Cr x O 12 (YAG: Cr 3+ )] showed similar photoluminescence (PL) intensities once the dopant concentration was optimized. Specifically, the YAG: Cr 3+ PL emission intensity reached a maximum at Cr 3+ concentrations of x = 0.02 (0.4 at.%) and x = 0.13 (2.6 at.%) for DP and HP processed samples, respectively. The results indicated the strong influence of the processing method on the optimized YAG: Cr 3+ performance, where a more effective energy transfer rate between a pair of Cr 3+ activators at low concentration levels was observed by using the DP synthesis technique. Development of a highly efficient phosphor, using a facile synthesis approach, could significantly benefit consumer and industrial applications by improving the operational efficiency of a wide range of practical devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Solidification and crystal growth of solid solution semiconducting alloys

Problems associated with the solidification and crytal growth of solid-solution semiconducting alloy crystals in a terrestrial environment are described. A detailed description is given of the results for the growth of mercury cadmium telluride (HgCdTe) alloy crystals by directional solidification, because of their considerable technological importance. A series of HgCdTe alloy crystals are grown from pseudobinary melts by a vertical Bridgman method using a wide range of growth rates and thermal conditions. Precision measurements are performed to establish compositional profiles for the crystals. The compositional variations are related to compositional variations in the melts that can result from two-dimensional diffusion or density gradient driven flow effects ahead of the growth interface. These effects are discussed in terms of the alloy phase equilibrium properties, the recent high temperature thermophysical data for the alloys and the highly unusual heat transfer characteristics of the alloy/ampule/furnace system that may readily lead to double diffusive convective flows in a gravitational environment.

Lehoczky, S. L.↗
NASA NTRS1985

On orbit mission planning using the shuttle trajectory and launch window expert system

With the Space Transportation System (STS) entering the operational era, the need for standardized, automated, mission planning computer tools has become apparent. In order to support an increased flight rate without an increase in manpower, quicker and more efficient methods are needed to perform standard tasks. The Shuttle Trajectory and Launch Window Expert System (STALEX) was developed to automate many aspects of early mission planning for space shuttle missions carrying geosynchronous communications satellites. Most of the commercial Shuttle missions planned for the next 3 years will carry at least one of this type of satellite. The applications of STALEX include payload deployment scheduling, launch window analysis, orbital trajectory determination, and landing opportunity selection.

Ahlf, P. R.↗