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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Uniqueness of relaxation times determined by dielectric spectroscopy

Dielectric spectroscopy is extremely powerful to study molecular dynamics, because of the very broad frequency range. Often multiple processes superimpose resulting in spectra that expand over several orders of magnitude, with some of the contributions partially hidden. For illustration, we selected two examples, (i) normal mode of high molar mass polymers partially hidden by conductivity and polarization and (ii) contour length fluctuations partially hidden by reptation using the well-studied polyisoprene melts as example. The intuitive approach to describe experimental spectra and to extract relaxation times is the addition of two or more model functions. Here, we use the empirical Havriliak-Negami function to illustrate the ambiguity of the extracted relaxation time, despite an excellent agreement of the fit with experimental data. We show that there are an infinite number of solutions for which a perfect description of experimental data can be achieved. However, a simple mathematical relationship indicates uniqueness of the pairs of the relaxation strength and relaxation time. Sacrificing the absolute value of the relaxation time enables to find the temperature dependence of the parameters with a high accuracy. For the specific cases studied here, the time temperature superposition (TTS) is very useful to confirm the principle. However, the derivation is not based on a specific temperature dependence, hence, independent from the TTS. We compare new and traditional approaches and find the same trend for the temperature dependence. The important advantage of the new technology is the knowledge of the accuracy of the relaxation times. Relaxation times determined from data for which the peak is clearly visible are the same within the experimental accuracy for traditional and new technology. However, for data where a dominant process hides the peak, substantial deviations can be observed. Finally, we conclude that the new approach is particularly helpful for cases in which relaxation times need to be determined without having access to the associated peak position.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Science Gateway for the Repeatable Analysis of Machine Learning Predicted Gravity Anomalies

In recent years, deep learning has become an increasingly popular alternative for modeling in geoscience applications due to its scalability and efficiency. However, the interpretability, compute, data volume, and hyperparameter tuning requirements of deep learning models make development and monitoring difficult. Furthermore, model explainability and communicating results obtained by these models to users or domain experts is a challenge, as domain experts in geoscience also need to have a deep understanding of how those models function in order to support their scientific works. Here, we describe a science gateway and machine learning pipeline for predicting gravity anomalies from geophysical data. The gateway, built on open-source technologies, provides a holistic view of the pipeline through interactive visualizations aimed at enabling efficient exploratory data analysis. The repeatability, reproducibility, and monitoring capabilities of this overall system allow us to iterate and analyze at scale. Using this pipeline and gateway, we can repeatedly produce accurate high-resolution gravity anomaly datasets. By describing the underlying technologies, implementation, and results, here we provide a foundation for the broader adoption of science gateways into cross-cutting geoscience and machine learning research projects as a means to improve the scientific discovery and collaboration in the geophysics and computational sciences community.

58 GEOSCIENCES↗
DOE OSTI2020

Data Analytics Applied to Coal Fired Boilers for Detecting Leaks

Data analytics were used to detect boiler leaks from five different coal-fired boilers including both subcritical and supercritical systems. Discriminant functions were developed that detected leaks up to two weeks prior to forced plant shutdowns for repairs. The leaks were identified to occur at different sections of the boiler for each plant, including waterwalls, economizer and superheater using conventional process measurement data. Leaking conditions were detected with a high degree of confidence (≪ 1% misclassified observations) and were able to distinguish normal operations from those time periods with steam leaks even while operating the power plants in power cycling mode.Multivariable statistical analyses, including Principal Component (PCA), cluster, and Fischer Discriminant Analysis (FDA) were used to characterize the leak occurrence. Normal and operational states with steam leaks were provided in the original process datasets. These datasets were split into two different groups for training and validation purposes. The data were sorted chronologically, and every third observation was assigned to training the Discriminant Function Model (DFM) while the rest were reserved for validation. PCA was used to reduce dimensionality of the original datasets. Canonical and FDA analyses were used to investigate the relationship between process variables. The outcome of the analyses revealed that nearly 35,000 observations were classified correctly; less than 0.05% of total observations were misclassified to be leaking, i.e. both false positives and false negatives.

Indrawan, Natarianto↗
DOE OSTI2014

Elongational rheology and cohesive fracture of photo-oxidated LDPE

It was found recently that low-density polyethylene (LDPE) samples with different degrees of photo-oxidation represent an interesting system to study the transition from ductile to cohesive fracture and the aspects of the cohesive rupture in elongational flow. Sheets of LDPE were subjected to photo-oxidation in the presence of air using a xenon lamp to irradiate the samples for times between 1 day and 6 weeks. Characterisation methods included Fourier transform infrared spectroscopy, solvent extraction method, and rheology in shear and uniaxial extensional flows. Linear viscoelasticity was increasingly affected by increasing photo-oxidation due to crosslinking of LDPE, as corroborated by the carbonyl index, acid and aldehydes groups, and gel fraction. The molecular stress function model was used to quantify the experimental data, and the nonlinear model parameter β was found to be correlated with the gel content. The uniaxial data showed that the transition from ductile to cohesive fracture was shifted to lower elongational rates, the higher the gel content was. From 2 weeks photo-oxidation onwards, cohesive rupture occurred at every strain rate investigated. The true strain and true stress at cohesive fracture as well as the energy density applied to the sample up to fracture were analyzed. At low gel content, rupture was mainly determined by the melt fraction while at high gel content, rupture occurred predominantly in the gel structure. The strain at break was found to be independent of strain rate, contrary to the stress at break and the energy density. Thus, the true strain and not the stress at break or the energy density was found to be the relevant physical quantity to describe cohesive fracture behavior of photo-oxidated LDPE. The equilibrium modulus of the gel structures was correlated with the true strain at rupture. The stiffer the gel structure, the lower was the deformation tolerated before the sample breaks.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Non-isothermal crystallization kinetics of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2}

Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass ceramics containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} were prepared by sol-gel method. The samples were characterized by X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The activation energy and kinetic parameters for crystallization of the samples were calculated by the Johnson-Mehi-Avrami (JMA) model and Augis-Bennett method according to the results of DSC. The results showed that the crystallization mechanism of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, whose non-isothermal kinetic parameter n = 2.3, was consistent with surface crystallization of the JMA model. The kinetics model function of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, f(α) = 2.3(1–α)[–ln(1–α)]{sup 0.57}, was also obtained. The addition of nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} could reduce the activation energy, which made the crystal growth modes change from onedimensional to three-dimensional.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Surface enhanced Raman scattering of light by ZnO nanostructures

Raman scattering (including nonresonant, resonant, and surface enhanced scattering) of light by optical and surface phonons of ZnO nanocrystals and nanorods has been investigated. It has been found that the nonresonant and resonant Raman scattering spectra of the nanostructures exhibit typical vibrational modes, E{sub 2}(high) and A{sub 1}(LO), respectively, which are allowed by the selection rules. The deposition of silver nanoclusters on the surface of nanostructures leads either to an abrupt increase in the intensity (by a factor of 10{sup 3}) of Raman scattering of light by surface optical phonons or to the appearance of new surface modes, which indicates the observation of the phenomenon of surface enhanced Raman light scattering. It has been demonstrated that the frequencies of surface optical phonon modes of the studied nanostructures are in good agreement with the theoretical values obtained from calculations performed within the effective dielectric function model.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

A nondestructive method to estimate the chlorophyll content of Arabidopsis seedlings

Chlorophyll content decreases in plants under stress conditions, therefore it is used commonly as an indicator of plant health. Arabidopsis thaliana offers a convenient and fast way to test physiological phenotypes of mutations and treatments. But, chlorophyll measurements with conventional solvent extraction are not applicable to Arabidopsis leaves due to their small size, especially when grown on culture dishes. We provide a nondestructive method for chlorophyll measurement whereby the red, green and blue (RGB) values of a color leaf image is used to estimate the chlorophyll content from Arabidopsis leaves. The method accommodates different profiles of digital cameras by incorporating the ColorChecker chart to make the digital negative profiles, to adjust the white balance, and to calibrate the exposure rate differences caused by the environment so that this method is applicable in any environment. We chose an exponential function model to estimate chlorophyll content from the RGB values, and fitted the model parameters with physical measurements of chlorophyll contents. As further proof of utility, this method was used to estimate chlorophyll content of G protein mutants grown on different sugar to nitrogen ratios. Our method is a simple, fast, inexpensive, and nondestructive estimation of chlorophyll content of Arabidopsis seedlings. This method lead to the discovery that G proteins are important in sensing the C/N balance to control chlorophyll content in Arabidopsis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Investigation of the Origin of Catalytic Activity in Oxide-Supported Nanoparticle Gold

Since Haruta’s discovery in 1987 of the surprising catalytic activity of supported Au nanoparticles, we have seen a very large number of experimental and theoretical efforts to explain this activity and to fully understand the nature of the behavior of the responsible active sites. In 2011, we discovered that a dual catalytic site at the perimeter of ~3nm diameter Au particles supported on TiO 2 is responsible for oxidative catalytic activity. O 2 molecules bind with Au atoms and Ti4+ ions in the TiO 2 support and the weakened O-O bond dissociates at low temperatures, proceeding to produce O atoms which act as oxidizing agents for the test molecule, CO. The papers supported by DOE have built on this finding and have been concerned with two aspects of the behavior of Au/TiO 2 catalysts: (1). Mechanistic behavior of dual catalytic sites in the oxidation of organic molecules such as ethylene and acetic acid; (2). Studies of the electronic properties of the TiO 2 (110) single crystal in relation to its participation in charge transfer at the occupied dual catalytic site. A total of 20 papers have been produced through DOE support of this work. The papers combine IR spectroscopic investigations of Au/TiO 2 catalysts with surface science on the TiO 2 (110) and TiO 2 nanoparticle surfaces with modern density functional modeling. The primary goals of the work were to investigate the behavior of the dual Au/Ti 4+ site for the partial oxidation of alcohols to acids, the hydrogenation of aldehydes and ketones to alcohols, and the condensation of oxygenate intermediates- all processes related to the utilization of biomass in the production of useful chemical energy sources.

09 BIOMASS FUELS↗
DOE OSTI2019

In Situ Monitoring of Direct Ink Write Process Using Electromagnetic Resonant Coupling

Additive manufacturing (AM) of multi-material objects enables the design of complex 3D architectures such as printed electronics and devices. The ability to detect the composition of multi-material printed inks in real time is an emerging need for a wide range of manufacturing applications. This study demonstrates the feasibility of using an in situ sensor to locally measure the composition of inks as they are being printed to facilitate greater control over the resulting properties and functionality of printed materials. Dielectric properties of microscale embedded metal particles in a dielectric matrix are measured and characterized as a function of particle size, shape, volume percentage and frequency. Results show that particle shape has a much greater influence on impedance measurements than the particle size. Measurements are found to agree with calculations based on an anisotropic Maxwell-Garnett dielectric function model. The resulting data can be used to generate a calibration curve correlating metal loading with impedance or capacitance and thus applied as an in situ sensor for compositional measurements during extrusion-based AM.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Minimum Resolution Requirements for Gamma Identification Algorithms

Each year there are millions of dollars spent on the research and production of high-resolution detectors. This research indicates that the pursuit of higher resolution detectors is not always necessary. The terminal resolution of a NaI detector, or highest detector resolution, at which identification algorithms fail to identify highly enriched uranium (HEU) was evaluated using GADRAS, Genie, and GammaVision. GADRAS employs a template matching algorithm, while Genie and GammaVision utilize a mathematical approach for peak search and identification. The NaI spectra utilized for evaluation were generated using the GADRAS Inject tab and source modeling functions. Each spectrum included terrestrial and cosmic background from Dallas, TX. The resolutions for each spectrum were increased from a default 8.92% to a point where each algorithm would fail to identify 235 U from a HEU source. Six different source configurations were used in this research: bare HEU, 50% shielded HEU, 90% shielded HEU, bare HEU with an interference source of 99 mTc, bare HEU with 99 mTc both shielded 50%, and bare HEU with 99 mTc both shielded 90%. T

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

THE SECOND KONUS- WIND CATALOG OF SHORT GAMMA-RAY BURSTS

In this catalog, we present the results of a systematic study of 295 short gamma-ray bursts (GRBs) detected by Konus- Wind (KW) from 1994 to 2010. From the temporal and spectral analyses of the sample, we provide the burst durations, the spectral lags, the results of spectral fits with three model functions, the total energy fluences, and the peak energy fluxes of the bursts. We discuss evidence found for an additional power-law spectral component and the presence of extended emission in a fraction of the KW short GRBs. Finally, we consider the results obtained in the context of the Type I (merger-origin)/Type II (collapsar-origin) classifications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A SUBMILLIMETER CONTINUUM SURVEY OF LOCAL DUST-OBSCURED GALAXIES

We conduct a 350 μ m dust continuum emission survey of 17 dust-obscured galaxies (DOGs) at z = 0.05–0.08 with the Caltech Submillimeter Observatory (CSO). We detect 14 DOGs with S{sub 350μm} = 114–650 mJy and signal-to-noise > 3. By including two additional DOGs with submillimeter data in the literature, we are able to study dust content for a sample of 16 local DOGs, which consist of 12 bump and four power-law types. We determine their physical parameters with a two-component modified blackbody function model. The derived dust temperatures are in the range 57–122 K and 22–35 K for the warm and cold dust components, respectively. The total dust mass and the mass fraction of the warm dust component are 3–34 × 10{sup 7} M {sub ⊙} and 0.03%–2.52%, respectively. We compare these results with those of other submillimeter-detected infrared luminous galaxies. The bump DOGs, the majority of the DOG sample, show similar distributions of dust temperatures and total dust mass to the comparison sample. The power-law DOGs show a hint of smaller dust masses than other samples, but need to be tested with a larger sample. These findings support that the reason DOGs show heavy dust obscuration is not an overall amount of dust content, but probably the spatial distribution of dust therein.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Parallel Tracks as Quasi-steady States for the Magnetic Boundary Layers in Neutron-star Low-mass X-Ray Binaries

The neutron stars in low-mass X-ray binaries (LMXBs) are usually thought to be weakly magnetized objects accreting matter from their low-mass companions in the form of a disk. Albeit weak compared to those in young neutron-star systems, the neutron-star magnetospheres in LMXBs can play an important role in determining the correlations between spectral and temporal properties. Parallel tracks appearing in the kilohertz (kHz) quasi-periodic oscillation (QPO) frequency versus X-ray flux plane can be used as a tool to study the magnetosphere–disk interaction in neutron-star LMXBs. For dynamically important weak fields, the formation of a non-Keplerian magnetic boundary layer at the innermost disk truncated near the surface of the neutron star is highly likely. Such a boundary region may harbor oscillatory modes of frequencies in the kHz range. We generate parallel tracks using the boundary region model of kHz QPOs. We also present the direct application of our model to the reproduction of the observed parallel tracks of individual sources such as 4U 1608–52, 4U 1636–53, and Aql X-1. We reveal how the radial width of the boundary layer must vary in the long-term flux evolution of each source to regenerate the parallel tracks. The run of the radial width looks similar for different sources and can be fitted by a generic model function describing the average steady behavior of the boundary region over the long term. The parallel tracks then correspond to the possible quasi-steady states the source can occupy around the average trend.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

SDSS J1058+5443: A Blue Quasar without Optical/NUV Broad Emission Lines

In this paper, the blue quasar SDSS J105816.19+544310.2 (=SDSS J1058+5443) at redshift 0.479 has been reported as the best true type 2 quasar candidate with the disappearance of central broad-line regions. There are no definite conclusions on the very existence of true type 2 active galactic nuclei (AGN), mainly due to detected optical broad emission lines in high-quality spectra of some previously classified true type 2 AGN candidates. Here, unlike previously reported true type 2 AGN candidates among narrow emission-line galaxies with weak AGN activities but strong stellar lights, the definitely blue quasar SDSS J1058+5443 can be well confirmed as a true type 2 quasar due to apparent quasar-shape blue continuum emissions but an apparent loss of both the optical broad Balmer emission lines and the near-UV (NUV) broad Mg II emission line. Based on different model functions and the F-test statistical technique, after considering blueshifted optical and UV Fe II emissions, there are no apparent broad optical Balmer emission lines and/or broad NUV Mg II lines, and the confidence level is smaller than 1σ in support of broad optical and NUV emission lines. Moreover, assuming the virialization assumption to broad-line emission clouds, the reconstructed broad emission lines strongly indicate that the probable intrinsic broad emission lines, if they exist, cannot be hidden or overwhelmed in the noise of the Sloan Digital Sky Survey spectrum of SDSS J1058+5443. Therefore, SDSS J1058+5443 is so far the best and most robust true type 2 quasar candidate, leading to the clear conclusion of the very existence of true type 2 AGN.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

A Comparison of Methods for Computing the Residual Resistivity Ratio of High-Purity Niobium

We compare methods for estimating the residual resistivity ratio (RRR) of high-purity niobium and investigate the effects of using different functional models. RRR is typically defined as the ratio of the electrical resistances measured at 273 K (the ice point) and 4.2 K (the boiling point of helium at standard atmospheric pressure). However, pure niobium is superconducting below about 9.3 K, so the low-temperature resistance is defined as the normal-state (i.e., non-superconducting state) resistance extrapolated to 4.2 K and zero magnetic field. Thus, the estimated value of RRR depends significantly on the model used for extrapolation. We examine three models for extrapolation based on temperature versus resistance, two models for extrapolation based on magnetic field versus resistance, and a new model based on the Kohler relationship that can be applied to combined temperature and field data. We also investigate the possibility of re-defining RRR so that the quantity is not dependent on extrapolation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Exclusive Measurements of the b to s gamma Transition Rate and Photon Energy Spectrum

We use 429 fb{sup -1} of e{sup +}e{sup -} collision data collected at the {Upsilon}(4S) resonance with the BABAR detector to measure the radiative transition rate of b {yields} s{gamma} with a sum of 38 exclusive final states. The inclusive branching fraction with a minimum photon energy of 1.9 GeV is found to be {Beta}({bar B} {yields} Xs{gamma}) = (3.29 {+-} 0.19 {+-} 0.48) x 10{sup -4} where the first uncertainty is statistical and the second is systematic. We also measure the first and second moments of the photon energy spectrum and extract the best fit values for the heavy-quark parameters, m{sub b} and {mu}{sub {pi}}{sup 2}, in the kinetic and shape function models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Failure Diagnosis for the Holdup Tank System via ISFA

This paper discusses the use of the integrated system failure analysis (ISFA) technique for fault diagnosis for the holdup tank system. ISFA is a simulation-based, qualitative and integrated approach used to study fault propagation in systems containing both hardware and software subsystems. The holdup tank system consists of a tank containing a fluid whose level is controlled by an inlet valve and an outlet valve. We introduce the component and functional models of the system, quantify the main parameters and simulate possible failure-propagation paths based on the fault propagation approach, ISFA. The results show that most component failures in the holdup tank system can be identified clearly and that ISFA is viable as a technique for fault diagnosis. Since ISFA is a qualitative technique that can be used in the very early stages of system design, this case study provides indications that it can be used early to study design aspects that relate to robustness and fault tolerance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

High-fidelity model-driven deception platform for cyber-physical systems

A system is described for protecting a cyber-physical system against a potential attacker of the cyber-physical system. The system includes at least one processor configured to: collect historical information about the cyber-physical system, and train, based on the historical information, a machine-learned model to predict future conditions of at least a portion of the cyber-physical system. Responsive to detecting an input signal to the cyber-physical system, the system is configured to output an alert to the cyber-physical system indicative of a potential attacker, and respond to the input signal by simulating, based on the future conditions predicted by the machine-learned model, functionality and communications of the at least a portion of the cyber-physical system.

Edgar, Thomas W.↗