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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural and magnetic analysis of Cu, Co substituted NiFe{sub 2}O{sub 4} thin films

In the present work we prepared NiFe{sub 2}O{sub 4}, Ni{sub 0.95}Cu{sub 0.05}Fe{sub 2}O{sub 4} and Ni{sub 0.94}Cu{sub 0.05}Co{sub 0.01} Fe{sub 2}O{sub 4} thin films by metallo-organic decomposition method (MOD) using spin coating technique. The thin films were analyzed by X-ray diffractometer (XRD) and Atomic force microscope (AFM) for structural studies. The XRD patterns confirmed the ferrite phase of thin films. From AFM, we analyzed surface morphology, calculated grain size (GS) and root mean square roughness (RMSR). Room temperature magnetic properties were investigated by vibrating sample magnetometer (VSM).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Synthesis of graphene by cobalt-catalyzed decomposition of methane in plasma-enhanced CVD: Optimization of experimental parameters with Taguchi method

This article describes the significant roles of process parameters in the deposition of graphene films via cobalt-catalyzed decomposition of methane diluted in hydrogen using plasma-enhanced chemical vapor deposition (PECVD). The influence of growth temperature (700–850 °C), molar concentration of methane (2%–20%), growth time (30–90 s), and microwave power (300–400 W) on graphene thickness and defect density is investigated using Taguchi method which enables reaching the optimal parameter settings by performing reduced number of experiments. Growth temperature is found to be the most influential parameter in minimizing the number of graphene layers, whereas microwave power has the second largest effect on crystalline quality and minor role on thickness of graphene films. The structural properties of PECVD graphene obtained with optimized synthesis conditions are investigated with Raman spectroscopy and corroborated with atomic-scale characterization performed by high-resolution transmission electron microscopy and scanning tunneling microscopy, which reveals formation of continuous film consisting of 2–7 high quality graphene layers.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Understanding the U 3 Si 2 crystal structure evolution as a function of temperature by neutron diffraction and simulation

U 3 Si 2 is actively researched as an accident tolerant fuel. Detailed knowledge of the crystal structure evolution, including knowledge of the anisotropic tetragonal lattice parameters, as a function of temperature and chemical composition is of paramount importance for predictions ranging from thermo-mechanical stresses to phase transformations to crystal lattice sites of fission products. Knowledge of the stability range of U 3 Si 2 is of great importance to understand whether changes of the stoichiometry, either from burn-up or due to synthesis variations, will lead to undesirable phase decomposition. To investigate these topics, stoichiometric U3Si2.00 and hyper-stoichiometric U 3 Si 2.01 were synthesized and characterized at ambient conditions and up to 1150°C using time-of-flight neutron diffraction on the HIPPO instrument at the Los Alamos Neutron Science Center (LANSCE) at LANL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Hints on the Gradual Resizing of the Torus in AGNs through Decomposition of Spitzer/IRS Spectra

Several authors have claimed that less luminous active galactic nuclei (AGNs) are not capable of sustaining a dusty torus structure. Thus, a gradual resizing of the torus is expected when the AGN luminosity decreases. Our aim is to examine mid-infrared observations of local AGNs of different luminosities for the gradual resizing and disappearance of the torus. We applied the decomposition method described by Hernán-Caballero et al. to a sample of ∼100 Spitzer/IRS spectra of low-luminosity AGNs and powerful Seyferts in order to decontaminate the torus component from other contributors. We have also included Starburst objects to ensure secure decomposition of the Spitzer/IRS spectra. We have used the affinity propagation (AP) method to cluster the data into five groups within the sample according to torus contribution to the 5–15 μm range (C{sub torus}) and bolometric luminosity (L{sub bol}). The AP groups show a progressively higher torus contribution and an increase of the bolometric luminosity from Group 1 (C{sub torus}∼0% and log(L{sub bol})∼41) up to Group 5 (C{sub torus}∼80% and log(L{sub bol})∼44). We have fitted the average spectra of each of the AP groups to clumpy models. The torus is no longer present in Group 1, supporting its disappearance at low luminosities. We were able to fit the average spectra for the torus component in Groups 3 (C{sub torus}∼40% and log(L{sub bol})∼42.6), 4 (C{sub torus}∼60% and log(L{sub bol})∼43.7), and 5 to Clumpy torus models. We did not find a good fitting to Clumpy torus models for Group 2 (C{sub torus}∼18% and log(L{sub bol})∼42). This might suggest a different configuration and/or composition of the clouds for Group 2, which is consistent with the different gas content seen in Groups 1, 2, and 3, according to detections of H{sub 2} molecular lines. Groups 3, 4, and 5 show a trend of decreasing torus width (which leads to a likely decrease of the geometrical covering factor), although we cannot confirm it with the present data. Finally, Groups 3, 4, and 5 show an increase of the outer radius of the torus for higher luminosities, consistent with a resizing of the torus according to AGN luminosity.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1964

A Possible Regenerative, Molten-Salt, Thermoelectric Fuel Cell

Molten or fused salts have been evaluated as possible thermoelectric materials because of the relatively good values of their figures of merit, their chemical stability, their long liquid range, and their ability to operate in conjunction with a nuclear reactor to produce heat. In general, molten salts are electrolytic conductors; therefore, there will be a transport of materials and subsequent decomposition with the passage of an electric current. It is possible nonetheless to overcome this disadvantage by using the decomposition products of the molten-salt electrolyte in a fuel cell. The combination of a thermoelectric converter and a fuel cell would lead to a regenerative system that may be useful.

SALT↗
NASA NTRS2007

Restricted Modal Analysis Applied to Internal Annular Combustor Autospectra and Cross-Spectra Measurements

A treatment of the modal decomposition of the pressure field in a combustor as determined by two pressure time history measurements is developed herein. It is applied to a Pratt and Whitney PW4098 engine combustor over a range of operating conditions. For modes other than the plane wave the assumption is made that there are distinct frequency bands in which the individual modes, including the plane wave mode, overlap such that if circumferential mode m and circumferential mode m-1 are present then circumferential mode m-2 is not. In the analysis used herein at frequencies above the first cutoff mode frequency, only pairs of circumferential modes are individually present at each frequency. Consequently, this is a restricted modal analysis. As part of the analysis one specifies mode cut-on frequencies. This creates a set of frequencies that each mode spans. One finding was the successful use of the same modal span frequencies over a range of operating conditions for this particular engine. This suggests that for this case the cut-on frequencies are in proximity at each operating condition. Consequently, the combustion noise spectrum related to the circumferential modes might not change much with operating condition.

Miles, Jeffrey Hilton↗
NASA NTRS2010

Extracting Independent Local Oscillatory Geophysical Signals by Geodetic Tropospheric Delay

Zenith Tropospheric Delay (ZTD) due to water vapor derived from space geodetic techniques and numerical weather prediction simulated-reanalysis data exhibits non-linear and non-stationary properties akin to those in the crucial geophysical signals of interest to the research community. These time series, once decomposed into additive (and stochastic) components, have information about the long term global change (the trend) and other interpretable (quasi-) periodic components such as seasonal cycles and noise. Such stochastic component(s) could be a function that exhibits at most one extremum within a data span or a monotonic function within a certain temporal span. In this contribution, we examine the use of the combined Ensemble Empirical Mode Decomposition (EEMD) and Independent Component Analysis (ICA): the EEMD-ICA algorithm to extract the independent local oscillatory stochastic components in the tropospheric delay derived from the European Centre for Medium-Range Weather Forecasts (ECMWF) over six geodetic sites (HartRAO, Hobart26, Wettzell, Gilcreek, Westford, and Tsukub32). The proposed methodology allows independent geophysical processes to be extracted and assessed. Analysis of the quality index of the Independent Components (ICs) derived for each cluster of local oscillatory components (also called the Intrinsic Mode Functions (IMFs)) for all the geodetic stations considered in the study demonstrate that they are strongly site dependent. Such strong dependency seems to suggest that the localized geophysical signals embedded in the ZTD over the geodetic sites are not correlated. Further, from the viewpoint of non-linear dynamical systems, four geophysical signals the Quasi-Biennial Oscillation (QBO) index derived from the NCEP/NCAR reanalysis, the Southern Oscillation Index (SOI) anomaly from NCEP, the SIDC monthly Sun Spot Number (SSN), and the Length of Day (LoD) are linked to the extracted signal components from ZTD. Results from the synchronization analysis show that ZTD and the geophysical signals exhibit (albeit subtle) site dependent phase synchronization index.

Botai, O. J.↗
DOE OSTI2017

Extending the Calibration of C iv-based Single-epoch Black Hole Mass Estimators for Active Galactic Nuclei

We provide an updated calibration of C iv λ1549 broad emission line–based single-epoch (SE) black hole (BH) mass estimators for active galactic nuclei (AGNs) using new data for six reverberation-mapped AGNs at redshift z=0.005--0.028 with BH masses (bolometric luminosities) in the range 10{sup 6.5}--10{sup 7.5} M{sub ⊙} (10{sup 41.7}--10{sup 43.8} erg s{sup −1}). New rest-frame UV-to-optical spectra covering 1150–5700 Å for the six AGNs were obtained with the Hubble Space Telescope (HST). Multicomponent spectral decompositions of the HST spectra were used to measure SE emission-line widths for the C iv, Mg ii, and Hβ lines, as well as continuum luminosities in the spectral region around each line. We combine the new data with similar measurements for a previous archival sample of 25 AGNs to derive the most consistent and accurate calibrations of the C iv-based SE BH mass estimators against the Hβ reverberation-based masses, using three different measures of broad-line width: full width at half maximum (FWHM), line dispersion (σ{sub line}), and mean absolute deviation (MAD). The newly expanded sample at redshift z=0.005--0.234 covers a dynamic range in BH mass (bolometric luminosity) of logM{sub BH}/M{sub ⊙}=6.5--9.1 (logL{sub bol}/ erg s{sup −1} = 41.7--46.9), and we derive the new C iv-based mass estimators using a Bayesian linear regression analysis over this range. We generally recommend the use of σ{sub line} or MAD rather than FWHM to obtain a less biased velocity measurement of the C iv emission line, because its narrow-line component contribution is difficult to decompose from the broad-line profile.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Development of a high temperature pyrolysis mechanism for cyclopentanone, a potential biofuel derived from biomass

Cyclopentanone (CPO) is a promising biofuel for spark-ignition engines due to its ring strain and high auto-ignition resistance. The Department of Energy has identified CPO as a potential biofuel candidate because of its unique chemical properties. Understanding CPO decomposition is crucial to building a high-temperature combustion model. In this study, we present a comprehensive kinetic model for high-temperature pyrolysis of CPO with verified results from high-pressure shock tube (HPST) measurements. The time histories of carbon monoxide (CO), ethylene (C2H4), and CPO absorbances over the temperature range of 1156-1416 K and 8.53-10.06 atm were measured. A corresponding kinetic model was generated using the Reaction Mechanism Generator (RMG) with the parameters of dominant pathways from either previous studies or quantum calculation within current work. The final model containing 821 species and 79,859 reactions exhibited a good agreement with the experimental results. In this study, the C2H4/CO ratio was used as an essential factor to validate the model and to prove that radical-involved bimolecular pathways were as significant as unimolecular decomposition of CPO. The rate of production (ROP) analysis showed that H radicals play major roles in both primary reactions and product pyrolysis. The insights from this work can be used to generate a better CPO combustion model and help evaluate CPO as a biofuel. Such understanding can also be helpful when proposing pyrolysis or combustion models for other biofuels.

cyclopentanone, reaction mechanism, pyrolysis, sho↗
DOE OSTI2018

Experimental and modeling study of the pyrolysis and oxidation of an iso-paraffinic alcohol-to-jet fuel

Single pulse shock tube experiments were performed to determine the pyrolytic and oxidative decomposition products of an alcohol-to-jet fuel (ATJ) composed primarily of about 90% iso-dodecane. Experiments were conducted at 4 bar nominal pressure, 2 ms nominal reaction time, and temperatures ranging from 900 K to 1550 K. For oxidation, the equivalence ratio was 0.27. Gas chromatography (GC) was used to analyze the products of the chemical reactions and to determine their mole fractions. The experimental results were compared against mole fractions computed using a detailed iso-alkane kinetic model, developed for the present study. The model was able to accurately reproduce the experimental results of both ATJ pyrolysis and oxidation. The experimental data and the kinetic modelintroduced in the current study shall aid in progress in understanding the oxidation of the alternative jet fuels.

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

Independent calculation of dose distributions for helical tomotherapy using a conventional treatment planning system

Purpose: The dosimetric verification of treatment plans in helical tomotherapy usually is carried out via verification measurements. In this study, a method for independent dose calculation of tomotherapy treatment plans is presented, that uses a conventional treatment planning system with a pencil kernel dose calculation algorithm for generation of verification dose distributions based on patient CT data. Methods: A pencil beam algorithm that directly uses measured beam data was configured for dose calculation for a tomotherapy machine. Tomotherapy treatment plans were converted into a format readable by an in-house treatment planning system by assigning each projection to one static treatment field and shifting the calculation isocenter for each field in order to account for the couch movement. The modulation of the fluence for each projection is read out of the delivery sinogram, and with the kernel-based dose calculation, this information can directly be used for dose calculation without the need for decomposition of the sinogram. The sinogram values are only corrected for leaf output and leaf latency. Using the converted treatment plans, dose was recalculated with the independent treatment planning system. Multiple treatment plans ranging from simple static fields to real patient treatment plans were calculated using the new approach and either compared to actual measurements or the 3D dose distribution calculated by the tomotherapy treatment planning system. In addition, dose–volume histograms were calculated for the patient plans. Results: Except for minor deviations at the maximum field size, the pencil beam dose calculation for static beams agreed with measurements in a water tank within 2%/2 mm. A mean deviation to point dose measurements in the cheese phantom of 0.89% ± 0.81% was found for unmodulated helical plans. A mean voxel-based deviation of −0.67% ± 1.11% for all voxels in the respective high dose region (dose values >80%), and a mean local voxel-based deviation of −2.41% ± 0.75% for all voxels with dose values >20% were found for 11 modulated plans in the cheese phantom. Averaged over nine patient plans, the deviations amounted to −0.14% ± 1.97% (voxels >80%) and −0.95% ± 2.27% (>20%, local deviations). For a lung case, mean voxel-based deviations of more than 4% were found, while for all other patient plans, all mean voxel-based deviations were within ±2.4%. Conclusions: The presented method is suitable for independent dose calculation for helical tomotherapy within the known limitations of the pencil beam algorithm. It can serve as verification of the primary dose calculation and thereby reduce the need for time-consuming measurements. By using the patient anatomy and generating full 3D dose data, and combined with measurements of additional machine parameters, it can substantially contribute to overall patient safety.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

SPAROW: Stochastic Programming and Related Optimization Workflows

SAND2026-16703O SPAROW: Stochastic Programming and Related Optimization Workflows is a Python library tool that facilitates the development and solution of stochastic programming problems. It provides a user-friendly class structure for defining stochastic programs through scenario-based representations of uncertainties. SPAROW incorporates multiple optimization strategies, including integer programming with all scenarios, progressive hedging, Benders decomposition, and Snoglode, a novel technique developed by Carnegie Mellon University. It also features interfaces to external solvers and functions that are commonly used in analysis workflows, making it applicable to a wide range of scientific and engineering design challenges, particularly in power grid planning. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Hart, William [Sandia National Lab. (SNL-NM), Albu↗
NASA NTRS1982

Nonmetallic materials handbook. Volume 2: Epoxy and silicone materials

Chemical and physical property test data obtained during qualification and receiving inspection testing of nonmetallic materials for the Viking Mars Lander program is presented. Thermochemical data showing degradation as a function of temperature from room temperature through 773 K is included. These data include activation energies for thermal degradation, rate constants, and exo- and/or endotherms. Thermal degradations carried out under vacuum include mass spectral data taken simultaneously during the decomposition. Many materials have supporting data such as condensation rates of degassed products and isothermal weight loss. Changes in mechanical, electrical, and thermal properties after exposure to 408 K in nitrogen for times ranging from 380 to 570 hours are included for many materials.

Podlaseck, S. E.↗
NASA NTRS1981

Quantitative separation of tetralin hydroperoxide from its decomposition products by high performance liquid chromatography

A method for the separation and analysis of tetralin hydroperoxide and its decomposition products by high pressure liquid chromatography has been developed. Elution with a single, mixed solvent from a micron-Porasil column was employed. Constant response factors (internal standard method) over large concentration ranges and reproducible retention parameters are reported.

Worstell, J. H.↗
NASA NTRS1992

The suitability of selected multidisciplinary design and optimization techniques to conceptual aerospace vehicle design

Four methods for preliminary aerospace vehicle design are reviewed. The first three methods (classical optimization, system decomposition, and system sensitivity analysis (SSA)) employ numerical optimization techniques and numerical gradients to feed back changes in the design variables. The optimum solution is determined by stepping through a series of designs toward a final solution. Of these three, SSA is argued to be the most applicable to a large-scale highly coupled vehicle design where an accurate minimum of an objective function is required. With SSA, several tasks can be performed in parallel. The techniques of classical optimization and decomposition can be included in SSA, resulting in a very powerful design method. The Taguchi method is more of a 'smart' parametric design method that analyzes variable trends and interactions over designer specified ranges with a minimum of experimental analysis runs. Its advantages are its relative ease of use, ability to handle discrete variables, and ability to characterize the entire design space with a minimum of analysis runs.

Olds, John R.↗
DOE OSTI2023

Optimization under uncertainty of a hybrid waste tire and natural gas feedstock flexible polygeneration system using a decomposition algorithm

Market uncertainties motivate the development of flexible polygeneration systems that are able to adjust operating conditions to favor production of the most profitable product portfolio. However, this operational flexibility comes at the cost of higher capital expenditure. A scenario-based two-stage stochastic nonconvex Mixed-Integer Nonlinear Programming (MINLP) approach lends itself naturally to optimizing these trade-offs. This work studies the optimal design and operation under uncertainty of a hybrid feedstock flexible polygeneration system producing electricity, methanol, dimethyl ether, olefins or liquefied (synthetic) natural gas. A recently developed C++ based software framework (named GOSSIP) is used for modeling the optimization problem as well as its efficient solution using the Nonconvex Generalized Benders Decomposition (NGBD) algorithm. Two different cases are studied: The first uses estimates of the means and variances of the uncertain parameters from historical data, whereas the second assesses the impact of increased uncertain parameter volatility. The value of implementing flexible designs characterized by the value of the stochastic solution (VSS) is in the range of 260–405 M$ for a scale of approximately 893 MW of thermal input. Increased price volatility around the same mean results in higher expected net present value and VSS as operational flexibility allows for asymmetric exploitation of price peaks.

42 ENGINEERING↗
DOE OSTI2019

The Model of Decomposition of a Fe–Cu Alloy with Concentration-Depending Interatomic Interactions

The thermodynamics and kinetics of decomposition of a Fe–Cu alloy are investigated in the context of a simple ab initio parameterization model taking into account the concentration dependence of the magnetic contribution to the free energy. It is shown that taking into account a difference between the short-range and long-range magnetic orders near the Curie temperature is very important for calculating the solubility of copper in iron. The solubility of copper in bcc iron and the stability limit of a homogeneous state (physical spinodal) are evaluated via the kinetic Monte Carlo method. The impact of structural defects (dislocations and grain boundaries) on these curves, as well as on the kinetic time–temperature—transformation (TTT) diagram, is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗