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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 OSTI2017

Mid-Award Progress Report for Department of Energy Office of Science Graduate Student Research Program

The purpose of the work proposed for this study is to investigate the behavior and transport mechanisms for cesium-137 in soils collected from contaminated sites with distinct source release scenarios. More specifically, this study aims to determine with which elements and minerals cesium-137 associates in these various environments to more reliably predict its migration in the subsurface. This will be achieved using a state-of-the-art analysis technique available at Lawrence Livermore National Laboratory (LLNL) known as NanoSIMS. Nano-scale secondary ion mass spectrometry, or NanoSIMS, is a destructive surface analysis technique in which positive secondary ions are generated from the surface of a sample and then quantified based on their mass-to-charge ratio (m/z) using mass spectrometry. The data collected about the secondary ions can then be used to create isotope-specific spatial maps with a resolution of a few hundred nanometers and depth profiles that show the variation of the secondary ion intensity with sputtering time. This should be an ideal technique for locating cesium-137 in a sample, as cesium is an easily ionized element, meaning the yield of secondary cesium (Cs) ions produced should be high and making the identification of cesium-137 straight forward.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

FAST Drift Scan Survey for Ηι Intensity Mapping: I. Preliminary Data Analysis

This work presents the initial results of the drift-scan observation for the neutral hydrogen (Hi) intensity mapping survey with the Five-hundred-meter Aperture Spherical radio Telescope (FAST). The data analyzed in this work were collected in night observations from 2019 through 2021. The primary findings are based on 28 hr of drift-scan observation carried out over 7 nights in 2021, which covers 60 deg 2 sky area. Our main findings are, first, our calibration strategy can successfully correct both the temporal and bandpass gain variation over the 4 hr drift-scan observation. Second, the continuum maps of the surveyed region are made with frequency resolution of 28 kHz and pixel area of $_{2.95\,{\mathrm{arcmin}}^{2}}$. The pixel noise levels of the continuum maps are slightly higher than the forecast assuming $T$ sys = 20 K, which are 36.0 mK (for 10.0 s integration time) at the 1050–1150 MHz band, and 25.9 mK (for 16.7 s integration time) at the 1323–1450 MHz band, respectively. Third, the flux-weighted differential number count is consistent with the NRAO-VLA Sky Survey (NVSS) catalog down to the confusion limit ~7 mJy beam –1 . Finally, the continuum flux measurements of the sources are consistent with those found in the literature. The difference in the flux measurement of 81 isolated NVSS sources is about 6.3%. Our research offers a systematic analysis for the FAST Hi intensity mapping drift-scan survey and serves as a helpful resource for further cosmology and associated galaxies sciences with the FAST drift-scan survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Reflector Selection for the Indexing of Electron Backscatter Diffraction Patterns

Abstract We propose a new methodology for ranking the reflectors used in traditional Hough-based indexing of electron backscatter diffraction (EBSD) patterns. Instead of kinematic X-ray or electron structure factors ( F hkl ) currently utilized, we propose the integrated Kikuchi band intensity parameter ( β hkl ) based on integrated dynamical electron backscatter intensities. The proposed parameter is compared with the traditional kinematical intensity, $I_{hkl}^{{\rm kin}} $ , as well as the average Hough transform peak intensity, $I_{hkl}^{{\rm HSP}} $ and used to index EBSD patterns for a number of different material systems of varying unit cell complexities including nickel, silicon, rutile, and forsterite. For elemental structures, β hkl closely follows the kinematical ranking. However, significant ranking differences arise for more complex unit cells, with the β hkl parameter showing a better correlation with the integrated Hough intensities. Lastly, Hough-based indexing of a simulated forsterite data set showed an appreciable improvement in the median confidence index (0.15 to 0.35) when β hkl is used instead of $I_{hkl}^{{\rm kin}} $ for ranking the reflectors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

HiSPoD : a program for high-speed polychromatic X-ray diffraction experiments and data analysis on polycrystalline samples

Here, a high-speed X-ray diffraction technique was recently developed at the 32-ID-B beamline of the Advanced Photon Source for studying highly dynamic, yet non-repeatable and irreversible, materials processes. In experiments, the microstructure evolution in a single material event is probed by recording a series of diffraction patterns with extremely short exposure time and high frame rate. Owing to the limited flux in a short pulse and the polychromatic nature of the incident X-rays, analysis of the diffraction data is challenging. Here, HiSPoD , a stand-alone Matlab-based software for analyzing the polychromatic X-ray diffraction data from polycrystalline samples, is described. With HiSPoD , researchers are able to perform diffraction peak indexing, extraction of one-dimensional intensity profiles by integrating a two-dimensional diffraction pattern, and, more importantly, quantitative numerical simulations to obtain precise sample structure information.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Taking a look at the calibration of a CCD detector with a fiber-optic taper

At the Structural Biology Center beamline 19BM, located at the Advanced Photon Source, the operational characteristics of the equipment are routinely checked to ensure they are in proper working order. After performing a partial flat-field calibration for the ADSC Quantum 210r CCD detector, it was confirmed that the detector operates within specifications. However, as a secondary check it was decided to scan a single reflection across one-half of a detector module to validate the accuracy of the calibration. The intensities from this single reflection varied by more than 30% from the module center to the corner of the module. Redistribution of light within bent fibers of the fiber-optic taper was identified to be a source of this variation. As a result, the degree to which the diffraction intensities are corrected to account for characteristics of the fiber-optic tapers depends primarily upon the experimental strategy of data collection, approximations made by the data processing software during scaling, and crystal symmetry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

A simple model for estimating changes in rainfall erosivity caused by variations in rainfall patterns

Highlights: • A simple relationship was developed for predicting daily erosivity in changing climates. • The relationship depends on precipitation amount and maximum 0.5-h intensity I{sub 0.5} . • The relationship was calibrated using measured climate data and had a R{sup 2} of 0.99. • Simulated daily and annual erosivities were predicted with a R{sup 2} of 0.99 using the relationship. • The relationship was tested using I{sub 24}, showing a R{sup 2} of 0.78 for the simulated data. A major challenge when coupling soil loss models with precipitation forecasts from Global Circulation Models (GCMs) is that their time resolutions do not generally agree. Precipitation forecasts from GCM must be scaled down; however, the distribution of the rainfall intensity, which can affect soil loss as much as precipitation amounts, is usually not considered in this process. Therefore, the objective of this study was to develop a statistical equation for computing event-based rainfall erosivity under changing precipitation patterns using the least amount of information possible. For this purpose, an empirical equation for predicting event-based rainfall erosivity was developed using the product of the total precipitation P and the maximum 0.5-h rainfall intensity, I{sub 0.5}. This equation was calibrated using measured precipitation data from 28 sites in Central Chile and then tested with simulated data with different rainfall patterns from the CLIGEN (CLImate GENerator) weather generator. More than 53,000 rainfall events were analyzed, where the equation consistently provided R{sup 2} values of 0.99 for every dataset used, revealing its robustness when used in potential climate change scenarios in the study site. However, because computing I{sub 0.5} requires estimating precipitation at a high time resolution, the relationship was recalibrated and tested using 1 through 24-h maximum rainfall intensities. Using these intensities, the equation provided erosivity estimates with R{sup 2} ranging from 0.78 to 0.99, where better results were obtained as the resolution of the data increased. This study provides the methodology for building and testing the proposed equation and discusses its advantages and limitations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Towards Composing Data Aware Systems Biology Workflows on Cloud Platforms: A MeDICi-based Approach

Cloud computing is being increasingly adopted for deploying systems biology scientific workflows. Scientists developing these workflows use a wide variety of fragmented and competing data sets and computational tools of all scales to support their research. To this end, the synergy of client side workflow tools with cloud platforms is a promising approach to share and reuse data and workflows. In such systems, the location of data and computation is essential consideration in terms of quality of service for composing a scientific workflow across remote cloud platforms. In this paper, we describe a cloud-based workflow for genome annotation processing that is underpinned by MeDICi - a middleware designed for data intensive scientific applications. The workflow implementation incorporates an execution layer for exploiting data locality that routes the workflow requests to the processing steps that are colocated with the data. We demonstrate our approach by composing two workflowswith the MeDICi pipelines.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Integrating Applied Energy and BER Smart Data Capabilities to Develop a DOE Data Fabric for Energy-Water R&D

Focal Area(s): 1) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing). Science Challenge: DOE R&D, including DOE’s Basic Energy Research (BER)’s Environmental Systems Science Division (EESSD) program and DOE’s applied energy research (AER) programs (EERE, FE, and NE) are producers and consumers of Earth systems datasets. This white paper focuses on the first topic area from the call in relation to how crosscutting resources and innovations from DOE’s EESSD and AER can be brought to bear to mutual benefit and more efficient energy-water, Earth system data resources through improved. The overarching challenge posed by this call focuses on how DOE can directly leverage artificial intelligence (AI) to engineer a substantial (paradigm-changing) improvement in Earth System Predictability? While stemming from DOE BER’s EESSD program, this is a challenge that is faced and also being addressed by DOE’s AER programs. Over the past decade plus, FE, EERE, and NE programs have made important strides towards addressing this need. These strides are in many ways highly complementary to EESSD’s MODEX efforts. Energy water systems spanning metocean to groundwater to surface water systems all are data driven whether for basic energy or applied energy. These are remote, multi-variate, complex natural, and in many cases engineered, systems. Key needs and challenges of both EESSD and AER include developing data-focused tools to enhance data search and discovery to fill in knowledge gaps (address sparse data challenge), and rapidly transform datasets, including disparate and multi-source data. Leveraging DOE on-premise computing (HPC, exascale) infrastructure supports the computing-intensive algorithms required to execute these data acquisition and transformation processes to derive enriched knowledge and data, driving AI/ML and big data analytics for these systems. The opportunity lies in combining BER and AER efforts to provide a more robust, advanced, efficient and complete computing data fabric to address energy-water data acquisition and assimilation needs which currently pose significant impediments to AI/ML predictions and research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Distinguishing fissions of 232 Th, 237 Np and 238 U with beta-delayed gamma rays

Measurements of beta-delayed gamma-ray spectra following 14-MeV neutron-induced fissions of 232 Th, 238 U, and 237 Np were conducted at Lawrence Berkeley National Laboratory’s 88-Inch Cyclotron. Spectra were collected for times ranging from 1 minute to 14 hours after irradiation. Lastly, intensity ratios of gamma-ray lines were extracted from the data that allow identification of the fissioning isotope.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Elaboration of m-cresol polyamide12/ polyaniline composite films for antistatic applications

The present work deals with the preparation of transparent antistatic films from an extreme dilution of an intrinsically conducting polymer (ICP) with not coloured polymers. Our approach is based on the chemical polymerization of a very thin layer of Polyaniline (PANI) around particles of an insulating polymer (PA12). Films were obtained by dissolving the synthesized core-shell particles in m-Cresol. The electric property and structure relationships were investigated by using dielectric relaxation spectroscopy, X-ray diffraction and micro-Raman spectroscopy. Composite films exhibited a well established dc conductivity over all the frequency range for 10 wt. % of PANI concentration related to the conductive properties of the PANI clusters. X-ray diffraction data show broader and lower intensity of PA12 peaks when increasing PANI content, probably due to the additional doping effect of m- cresol. The doping of PA12/PANI films with Dodecyl benzene sulfonic acid (DBSA) was unequivocally verified by Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

X-ray scattering based scanning tomography for imaging and structural characterization of cellulose in plants

X-ray and neutron scattering have long been used for structural characterization of cellulose in plants. Due to averaging over the illuminated sample volume, these measurements traditionally overlooked the compositional and morphological heterogeneity within the sample. Here, a scanning tomographic imaging method is described, using contrast derived from the X-ray scattering intensity, for virtually sectioning the sample to reveal its internal structure at a resolution of a few micrometres. This method provides a means for retrieving the local scattering signal that corresponds to any voxel within the virtual section, enabling characterization of the local structure using traditional data-analysis methods. This is accomplished through tomographic reconstruction of the spatial distribution of a handful of mathematical components identified by non-negative matrix factorization from the large dataset of X-ray scattering intensity. Joint analysis of multiple datasets, to find similarity between voxels by clustering of the decomposed data, could help elucidate systematic differences between samples, such as those expected from genetic modifications, chemical treatments or fungal decay. The spatial distribution of the microfibril angle can also be analyzed, based on the tomographically reconstructed scattering intensity as a function of the azimuthal angle.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Specification of CuCrZr Alloy Properties after Various Thermo-Mechanical Treatments and Design Allowables including Neutron Irradiation Effects

Precipitation hardened CuCrZr alloy is a promising heat sink and functional material for various applica- tions in ITER, for example the first wall, blanket electrical attachment, divertor, and heating systems. Three types of thermo-mechanical treatment were identified as most promising for the various applica- tions in ITER: solution annealing, cold working and ageing; solution annealing and ageing; solution annealing and ageing at non-optimal condition due to specific manufacturing processes for engineer- ing-scale components. The available data for these three types of treatments were assessed and mini- mum tensile properties were determined based on recommendation of Structural Design Criteria for the ITER In-vessel Components. The available data for these heat treatments were analyzed for assess- ment of neutron irradiation effect. Using the definitions of the ITER Structural Design Criteria the design allowable stress intensity values are proposed for CuCrZr alloy after various heat treatments.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Extracting interface locations in multilayer polymer waveguide films using scanning angle Raman spectroscopy

There is an increasing demand for nondestructive in situ techniques that measure chemical content, total thickness, and interface locations for multilayer polymer films, and SA Raman spectroscopy in combination with appropriate data models can provide this information. A scanning angle (SA) Raman spectroscopy method was developed to measure the chemical composition of multilayer polymer waveguide films and to extract the location of buried interfaces between polymer layers with 7–80-nm axial spatial resolution. The SA Raman method measures Raman spectra as the incident angle of light upon a prism-coupled thin film is scanned. Six multilayer films consisting of poly(methyl methacrylate)/polystyrene or poly(methyl methacrylate)/polystyrene/poly(methyl methacrylate) were prepared with total thicknesses ranging from 330-1260 nm. The interface locations were varied by altering the individual layer thicknesses between 140-680 nm. The Raman amplitude ratio of the 1605 cm -1 peak for PS and 812 cm -1 peak for PMMA was used in calculations of the electric field intensity within the polymer layers to model the SA Raman data and extract the total thickness and interface locations. There is an average 8% and 7% difference in the measured thickness between the SA Raman and profilometry measurements for bilayer and trilayer films, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The surprisingly large neutron capture cross-section of 88 Zr

The probability that a nucleus will absorb a neutron, described in units of area as the neutron-capture cross section, is important to many areas of nuclear science including stellar nucleosynthesis, reactor performance, nuclear medicine, and defense applications. Although neutron-capture cross-sections have been directly measured for most stable nuclei, fewer results exist for radioactive isotopes and predictions typically have large uncertainties. There are almost no nuclear data for neutron-induced reactions on the radioactive nucleus 88 Zr, despite its significance for nuclear-security missions. By exposing 88 Zr to the intense neutron flux of a nuclear reactor, it was determined that 88 Zr has a thermal neutron capture cross section of (861,000 ± 69,000) b, which is the second-largest ever measured, despite being predicted to be only 10 b. The only other nuclei known to have thermal neutron capture cross sections greater than 1x10 5 b are 135 Xe and 157 Gd (2.6x10 6 b and 2.5x10 5 b, respectively) and no other cross section of comparable size has been discovered in the past 70 years (Fig. 1). The measurement of the 135 Xe cross section followed the determination that a fission product was poisoning the early reactors.7 The applications for 157 Gd were not immediately appreciated, but now the isotope has been developed into a detector material, burnable reactor poison, and potential medical neutron capture therapy (NCT) agent. In the case of 88 Zr, a unique aspect of the neutron-capture reaction is that both the target and the product 89 Zr nuclei are radioactive and give intense γ-ray emissions upon decay. This result suggests that as additional measurements with radioactive isotopes become feasible in the near future via access to new facilities for sample production and measurement, other cross-section surprises may be uncovered.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering

Significance A major challenge of protein crystallography is to accurately describe protein structure variations. Whereas Bragg peaks only yield a picture in which the variations are superimposed, diffuse X-ray scattering (diffraction between the peaks) reports on the way different atoms move together and can be used to increase the accuracy of models. We have performed a molecular-dynamics (MD) simulation of crystalline staphylococcal nuclease, yielding a rich picture of functionally important motions. This simulation is 100-fold longer than previous studies and yields reproducible calculations of diffuse intensity, overcoming a major challenge in the field. Experimental data support the MD models and indicate that diffuse scattering can be used both to validate and to improve MD simulations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

The three-MM ultimate Mopra Milky Way Survey. I. Survey overview, Initial data releases, and first results

We describe a new mm-wave molecular-line mapping survey of the southern Galactic Plane and its first data releases. The Three-mm Ultimate Mopra Milky Way Survey (ThrUMMS) maps a 60° × 2° sector of our Galaxy’s fourth quadrant, using a combination of fast mapping techniques with the Mopra radio telescope, simultaneously in the J=1→0 lines of {sup 12}CO, {sup 13}CO, C{sup 18}O, and CN near 112 GHz at ∼arcminute and ∼0.3 km s{sup −1} resolution, with ∼2 K channel{sup −1} sensitivity for {sup 12}CO and ∼1 K channel{sup −1} for the other transitions. The calibrated data cubes from these observations are made available to the community after processing through our pipeline. Here, we describe the motivation for ThrUMMS, the development of new observing techniques for Mopra, and how these techniques were optimized to the objectives of the survey. We showcase some sample data products and describe the first science results on CO-isotopologue line ratios. These vary dramatically across the Galactic Plane, indicating a very wide range of optical depth and excitation conditions, from warm and translucent to cold and opaque. The population of cold clouds in particular have optical depths for {sup 12}CO easily exceeding 100. We derive a new, nonlinear conversion law from {sup 12}CO integrated intensity to column density, N{sub CO}∝I{sub CO}{sup 1.38}, which suggests that the molecular mass traced by CO in the Galactic disk may have been substantially underestimated. This further suggests that some global relationships in disk galaxies, such as star formation laws, may need to be recalibrated. The large ThrUMMS team is proceeding with several other science investigations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Representation of Extratropical Cyclones, Blocking Anticyclones, and Alpine Circulation Types in Multiple Reanalyses and Model Simulations

Atmospheric circulation types, blockings, and cyclones are prime features of the extratropical flow and key to understanding the climate system. This study intercompares the representation of these features in 10 reanalyses and in an ensemble of 30 climate model simulations between 1980 and 2005. Both modern, full-input reanalyses and century-long, surface-input reanalyses are examined. Modern full-input reanalyses agree well on key statistics of blockings, cyclones, and circulation types. Yet, the intensity and depth of cyclones vary among them. Reanalyses with higher horizontal resolution show higher cyclone center densities and more intense cyclones. For blockings, no strict relationship is found between frequency or intensity and horizontal resolution. Full-input reanalyses contain more intense blocking, compared to surface-input reanalyses. Circulation-type classifications over central Europe show that both versions of the Twentieth Century Reanalysis dataset contain more easterlies and fewer westerlies than any other reanalysis, owing to their high pressure bias over northeast Europe. The temporal correlation of annual circulation types over central Europe and blocking frequencies over the North Atlantic–European domain between reanalyses is high (around 0.8). The ensemble simulations capture the main characteristics of midlatitudinal atmospheric circulation. Circulation types of westerlies to northerlies over central Europe are overrepresented. There are too few blockings in the higher latitudes and an excess of cyclones in the midlatitudes. Other characteristics, such as blocking amplitude and cyclone intensity, are realistically represented, making the ensemble simulations a rich dataset to assess changes in climate variability.

54 ENVIRONMENTAL SCIENCES↗