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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Effect of internal noise on the oscillation of N{sub 2}O decomposition over Cu-ZSM-5 zeolites using a stochastic description

When considering stochastic oscillations of heterogeneous catalyst systems, most researches have focused on the surface of a metal or its oxide catalysts, but there have been few studies on porous catalysts. In this work, the effects of internal noise on oscillations of N{sub 2}O decomposition over Cu-ZSM-5 zeolites are investigated, using the chemical Langevin equation and a mesoscopic stochastic model. Considering that Cu-ZSM-5 particles are finely divided particles, the number of Cu ions (N{sub s}) is proportional to the particle size at a certain Cu/Al, and the internal noise is inversely proportional to N{sub s}. Stochastic oscillations can be observed outside the deterministic oscillatory region. Furthermore, the performance of the oscillation characterized by the signal-to-noise ratio has a maximum within the optimal size range of 4–8 nm. This suggests that a nanometer-sized zeolite may be best for oscillations.

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

The effects of filamentary Ni, graphene and lithium amide (LiNH2) additives on the dehydrogenation behavior of mechano-chemically synthesized crystalline manganese borohydride (Mn(BH4)2) and its solvent filtration/extraction

Highlights: • Effect of graphene, filamentary Ni and LiNH{sub 2} on the synthesis of Mn(BH{sub 4}){sub 2} investigated. • Mechanical dehydrogenation observed for filamentary Ni and LiNH{sub 2} but not for graphene. • All additives suppressed the release of B{sub 2}H{sub 6} during thermal decomposition of Mn(BH{sub 4}){sub 2} with filamentary Ni being the strongest suppressor. • The LiNH{sub 2} additive reduced the apparent activation energy for dehydrogenation to 44.9 ± 4.3 kJ/mol. • After solvent filtration and extraction of the (Mn(BH{sub 4}){sub 2}/LiCl) sample, a dimetallic hydride [{Li(Et_2O)_2}Mn{sub 2}(BH{sub 4}){sub 5}] was found. - Abstract: Dehydrogenation properties of mechano-chemically synthesized crystalline Mn(BH{sub 4}){sub 2} hydride without and with ultrafine filamentary carbonyl nickel (Ni), graphene and LiNH{sub 2} were investigated. It is reported for the first time that all additives suppressed the release of B{sub 2}H{sub 6} with the filamentary Ni additive being the most effective suppressor of B{sub 2}H{sub 6}. In DSC, the decomposition peak of Mn(BH{sub 4}){sub 2} was endothermic. The estimated apparent activation energy for isothermal dehydrogenation was dramatically reduced to 44.9 ± 4.3 kJ/mol for the 5 wt.% LiNH{sub 2} additive from about 76–81 kJ/mol range for the additive-free sample and 5 wt.% filamentary Ni and graphene additives. The most striking finding, that has never been reported in the literature, is that the process of solvent filtration and extraction of the mechano-chemically synthesized (Mn(BH{sub 4}){sub 2}/LiCl) sample, resulted in the crystallization of a dimetallic borohydride solvate [{Li(Et_2O)_2}Mn{sub 2}(BH{sub 4}){sub 5}] instead of crystalline Mn(BH{sub 4}){sub 2}. Its dehydrogenation behavior was investigated isothermally and by TGA/DSC.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Objective identification of informative wavelength regions in galaxy spectra

Understanding the diversity in spectra is the key to determining the physical parameters of galaxies. The optical spectra of galaxies are highly convoluted with continuum and lines that are potentially sensitive to different physical parameters. Defining the wavelength regions of interest is therefore an important question. In this work, we identify informative wavelength regions in a single-burst stellar population model using the CUR Matrix Decomposition. Simulating the Lick/IDS spectrograph configuration, we recover the widely used D {sub n}(4000), Hβ, and Hδ {sub A} to be most informative. Simulating the Sloan Digital Sky Survey spectrograph configuration with a wavelength range 3450-8350 Å and a model-limited spectral resolution of 3 Å, the most informative regions are: first region—the 4000 Å break and the Hδ line; second region—the Fe-like indices; third region—the Hβ line; and fourth region—the G band and the Hγ line. A principal component analysis on the first region shows that the first eigenspectrum tells primarily the stellar age, the second eigenspectrum is related to the age-metallicity degeneracy, and the third eigenspectrum shows an anti-correlation between the strengths of the Balmer and the Ca K and H absorptions. The regions can be used to determine the stellar age and metallicity in early-type galaxies that have solar abundance ratios, no dust, and a single-burst star formation history. The region identification method can be applied to any set of spectra of the user's interest, so that we eliminate the need for a common, fixed-resolution index system. We discuss future directions in extending the current analysis to late-type galaxies. ASCII formatted tables of the regional eigenspectra are available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Analysis of nucleon electromagnetic form factors from light-front holographic QCD: The spacelike region

We present a comprehensive analysis of the space-like nucleon electromagnetic form factors and their flavor decomposition within the framework of light-front holographic QCD. We show that the inclusion of the higher Fock components $|{qqqq\bar{q}}$ has a significant effect on the spin-flip elastic Pauli form factor and almost zero effect on the spin-conserving Dirac form factor. We present light-front holographic QCD results for the proton and neutron form factors at any momentum transfer range, including asymptotic predictions, and show that our results agree with the available experimental data with high accuracy. In order to correctly describe the Pauli form factor we need an admixture of a five quark state of about 30$\%$ in the proton and about 40$\%$ in the neutron. We also extract the nucleon charge and magnetic radii and perform a flavor decomposition of the nucleon electromagnetic form factors. The free parameters needed to describe the experimental nucleon form factors are very few: two parameters for the probabilities of higher Fock states for the spin-flip form factor and a phenomenological parameter $r$, required to account for possible SU(6) spin-flavor symmetry breaking effects in the neutron, whereas the Pauli form factors are normalized to the experimental values of the anomalous magnetic moments. As a result, the covariant spin structure for the Dirac and Pauli nucleon form factors prescribed by AdS$_5$ semiclassical gravity incorporates the correct twist scaling behavior from hard scattering and also leads to vector dominance at low energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Novel Experimental Approach to Obtain the Oxygen-Deficient LaBaCaCu{sub 3}O{sub y} Superconductor Compound

This work presents a novel approach based on the nitrate decomposition method for the preparation the oxygen-deficient LaBaCaCu{sub 3}O{sub y} (La1113) compound. The XRD results reveal the presence of the triple perovskite structure LaBaCaCu{sub 3}O{sub y} as a dominant phase crystallizing in the tetragonal system with the space group P4/mmm. The SEM observation shows a low porosity and EDAX data indicates the presence of the basic elements of the phase. The superconducting character of the compound is confirmed by AC susceptibility measurements with T{sub c} = 63 K even if the samples are not treated under oxygen atmosphere.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Thermal stability and protective properties of phenylphosphonic acid on Cu(111)

Phenylphosphonic acid (PPA) adsorbed on Cu(111) has been studied by synchrotron radiation-based techniques in combination with density functional theory calculations. Here, the dehydrogenated phenylphosphonic acid molecule (PP) strongly bound in a tridentate geometry through oxygen atoms to Cu(111) is shown to be the dominant surface species in the temperature range 150–300 °C. The stable PP adlayer substantially protects the Cu(111) surface from oxidation during exposure to ambient conditions. Thermal treatment of the PPA adlayer at 375 °C initiates molecular decomposition through several channels: P–O bond scission forming C 6 H 5 PO 2 ; C–P bond scission forming phenyl and PO 3 ; and C–H bond scission forming C 6 H 4 PO 3 . All three reaction steps have activation barriers of 1.7–1.8 eV. Small products such as O, H, and phenyl can immediately react further and desorb, while the remaining phosphonate species undergo condensation. After annealing at a higher temperature, the phosphonate group is further reduced from oxygen-rich to phosphorus-rich species, which form the majority of remaining adsorbates after 500 °C treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Thermal decomposition of europium sulfates Eu{sub 2}(SO{sub 4}){sub 3}·8H{sub 2}O and EuSO{sub 4}

Reactions of europium sulfates Eu{sub 2}(SO{sub 4}){sub 3}·8H{sub 2}O and EuSO{sub 4} complete decomposition were studied by Simultaneous Thermal Analysis. It was revealed that one-step dehydratation of Eu{sub 2}(SO{sub 4}){sub 3}·8H{sub 2}O crystallohydrate is accompanied by the formation of amorphous anhydrous europium sulfate Eu{sub 2}(SO{sub 4}){sub 3}. Crystallization of amorphous europium (III) sulfate occurs at 381.1 °C (in argon) and 391.3 °C (in air). The average enthalpy values for dehydratation reaction of Eu{sub 2}(SO{sub 4}){sub 3}·8H{sub 2}O (ΔH° = 141.1 kJ/mol), decomposition reactions of Eu{sub 2}(SO{sub 4}){sub 3} (ΔH = 463.1 kJ/mol), Eu{sub 2}O{sub 2}SO{sub 4} (ΔH = 378.4 kJ/mol) and EuSO{sub 4} (ΔH = 124.1 kJ/mol) were determined. The step process mechanisms of thermal decomposition of europium (III) sulfate in air and europium (II) sulfate in inert atmosphere were established and justified. The kinetic parameters of complete thermal decomposition of europium (III) sulfate octahydrate were calculated by Kissinger model. The standard enthalpies of compound formation were calculated using thermal effects and formation enthalpy data for binary compounds. - Highlights: • The temperature ranges of thermal stability of europium sulfates in different atmospheres were defined. • The causes of appearance of exothermic effects in DSC-analysis processes were determined. • The thermodynamic and kinetic parameters of sulfates thermal destruction were defined. • The standard formation enthalpies of europium sulfates were calculated.

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

Novel Low-Temperature Electrolyte Using Isoxazole as the Main Solvent for Lithium-Ion Batteries

A novel electrolyte system with an excellent low temperature performance for lithium-ion batteries (LIBs) has been developed and studied. It was discovered for the first time, in this work, that when isoxazole (IZ) was used as the main solvent, the ionic conductivity of the electrolyte for LIBs is more than doubled in a temperature range between -20 and 20 °C compared to the baseline electrolyte using ethylene carbonate–ethyl methyl carbonate as solvents. To solve the problem of solvent cointercalation into the graphite anode and/or electrolyte decomposition, the lithium difluoro(oxalato)borate (LiDFOB) salt and fluoroethylene carbonate (FEC) additive were used to form a stable solid electrolyte interphase on the surface of the graphite anode. Benefitting from the high ionic conductivity at low temperature, cells using a new electrolyte with 1 M LiDFOB in FEC/IZ (1:10, vol %) solvents demonstrated a very high reversible capacity of 187.5 mAh g -1 at -20 °C, while the baseline electrolyte only delivered a reversible capacity of 23.1 mAh g -1 .

25 ENERGY STORAGE↗
DOE OSTI2023

Classification of gaseous UF 6 assay by femtosecond LIBS in the 424.4 nm spectral region using numerical HOGSVD-DTW features

This technical note presents experimental results using numerical features of fs-LIBS data to classify the assay value of a gaseous UF 6 material. Here, the data-driven feature vectors are computed by Higher Order Generalized Singular Value Decomposition (HOGSVD) and Dynamic Time Warp (DTW). The method achieves 96.97% accuracy in spectral classification testing with fs-LIBS samples obtained from a UF 6 material with five known assay values ranging from 0.287% to 61.740%, with 100% accuracy for the four largest assay values ranging from 4.615% to 61.740%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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↗