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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The exit-wave power-cepstrum transform for scanning nanobeam electron diffraction: robust strain mapping at subnanometer resolution and subpicometer precision

Scanning nanobeam electron diffraction (NBED) with fast pixelated detectors is a valuable technique for rapid, spatially resolved mapping of lattice structure over a wide range of length scales. However, intensity variations caused by dynamical diffraction and sample mistilts can hinder the measurement of diffracted disk centers as necessary for quantification. Robust data processing techniques are needed to provide accurate and precise measurements for complex samples and non-ideal conditions. Here we present an approach to address these challenges using a transform, called the exit wave power cepstrum (EWPC), inspired by cepstral analysis in audio signal processing. The EWPC transforms NBED patterns into real-space patterns with sharp peaks corresponding to inter-atomic spacings. We describe a simple analytical model for interpretation of these patterns that cleanly decouples lattice information from the intensity variations in NBED patterns caused by tilt and thickness. With tracking the inter-atomic spacing peaks in EWPC patterns, strain mapping is demonstrated for two practical applications: mapping of ferroelectric domains in epitaxially strained PbTiO 3 films and mapping of strain profiles in arbitrarily oriented core-shell Pt-Co nanoparticle fuel-cell catalysts. The EWPC transform enables lattice structure measurement at sub-pm precision and sub-nm resolution that is robust to small sample mistilts and random orientations.

42 ENGINEERING↗
DOE OSTI2026

OzDES Reverberation Mapping of Active Galactic Nuclei: Final Data Release, Black-Hole Mass Results, & Scaling Relations

Over the last decade, the Australian Dark Energy (OzDES) collaboration has used Reverberation Mapping to measure the masses of high redshift supermassive black holes. Here we present the final review and analysis of this OzDES reverberation mapping campaign. These observations use 6-7 years of photometric and spectroscopic observations of 735 Active Galactic Nuclei (AGN) in the redshift range 0.13-3.85 and bolometric luminosity range 44.3 - 47.5 erg/s. Both photometry and spectra are observed in visible wavelengths, allowing for the physical scale of the AGN broad line region to be estimated from reverberations of the H{̱e̱ṯa̱}̱, MgII and CIV emission lines. We successfully use reverberation mapping to constrain the masses of 62 super-massive black holes, and combine with existing data to fit a power law to the lag-luminosity relation for the H{̱e̱ṯa̱}̱ and MgII lines with a scatter of ~0.25 dex, the tightest yet identified, fit specifically for consistency with high redshift AGN. We fit a similarly constrained relation for CIV, resolving a tension with the low luminosity literature AGN by accounting for selection effects arising from finite survey length. We also examine the impact of emission line width and luminosity (related to accretion rate) in reducing the scatter of these scaling relationships and find no significant improvement over the lag-only approach for any of the three lines. Using these relations, we further estimate the masses and accretion rates of 246 AGN with single epoch methods. We also use these relations to estimate the relative sizes of the H{̱e̱ṯa̱}̱, MgII and CIV emitting regions. In short, we provide a comprehensive benchmark of high redshift AGN reverberation mapping at the close of this most recent generation of surveys, including light curves, time-delays, and a set of significantly improved radius-luminosity relations for use with high-redshift populations.

McDougall, Hugh [Queensland U.]↗
DOE OSTI2018

Discovering State-Parameter Mappings in Subsurface Models Using Generative Adversarial Networks

A fundamental problem in geophysical modeling is related to the identification and approximation of causal structures among physical processes. However, resolving the bidirectional mappings between physical parameters and model state variables (i.e., solving the forward and inverse problems) is challenging, especially when parameter dimensionality is high. Deep learning has opened a new door toward knowledge representation and complex pattern identification. In particular, the recently introduced generative adversarial networks (GANs) hold strong promises in learning cross-domain mappings for image translation. This study presents a state-parameter identification GAN (SPID-GAN) for simultaneously learning bidirectional mappings between a high-dimensional parameter space and the corresponding model state space. SPID-GAN is demonstrated using a series of representative problems from subsurface flow modeling. Results show that SPID-GAN achieves satisfactory performance in identifying the bidirectional state-parameter mappings, providing a new deep-learning-based, knowledge representation paradigm for a wide array of complex geophysical problems.

58 GEOSCIENCES↗
DOE OSTI2019

Deciphering the Stress State of Seismogenic Faults in Oklahoma and Southern Kansas Based on an Improved Stress Map

Fault location and geometry are prime considerations in the reactivation of preexisting faults. Here, we combine relocated earthquake catalogs and focal mechanisms to delineate seismogenic faults in Oklahoma and southern Kansas and analyze their stress state. Initially, we identify and map seismogenic faults based on earthquake clustering. We then obtain an improved stress map using 2,047 high-quality focal mechanisms. The regional stress map shows a gradual transition from oblique normal faulting in western Oklahoma to strike-slip faulting in central and eastern Oklahoma. Stress amplitude ratio shows a strong correlation with pore pressure from hydrogeologic models, suggesting that pore pressure exhibits a measurable influence on stress patterns. Finally, we assess fault stress state via 3-D Mohr circles; a parameter understress is used to quantify the level of fault criticality (with 0 meaning critically stressed faults and 1 meaning faults with no applied shear stress). Our findings suggest that most active faults have near vertical planes (planarity >0.8 and dip >70°), and there is a strong correlation between fault length and maximum magnitude on each fault. The fault trends show prominent conjugate sets that strike [55–75°] and [105–125°]. A comparison with mapped sedimentary faults and basement fractures reveals common tectonic control. Based on 3-D Mohr circles, we find that 78% of the faults are critically stressed (understress ≤0.2), while several seismogenic faults are misoriented with high understress (>0.4). Fault geometry and local stress fields may be used to evaluate potential seismic hazard, as the largest earthquakes tend to occur on long, critically stressed faults.

58 GEOSCIENCES↗
DOE OSTI2022

Detecting Hot Spots of Methane Flux Using Footprint‐Weighted Flux Maps

Abstract In this study, we propose a new technique for mapping the spatial heterogeneity in gas exchange around flux towers using flux footprint modeling and focusing on detecting hot spots of methane (CH 4 ) flux. In the first part of the study, we used a CH 4 release experiment to evaluate three common flux footprint models: the Hsieh model (Hsieh et al., 2000), the Kljun model (Kljun et al., 2015), and the K & M model (Kormann and Meixner, 2001), finding that the K & M model was the most accurate under these conditions. In the second part of the study, we introduce the Footprint‐Weighted Flux Map, a new technique to map spatial heterogeneity in fluxes. Using artificial CH 4 release experiments, natural tracer approaches and flux chambers we mapped the spatial flux heterogeneity, and detected and validated a hot spot of CH 4 flux in a oligohaline restored marsh. Through chamber measurements during the months of April and May, we found that fluxes at the hot spot were on average as high as 6589 ± 7889 nmol m −2 s −1 whereas background flux from the open water were on average 15.2 ± 7.5 nmol m −2 s −1 . This study provides a novel tool to evaluate the spatial heterogeneity of fluxes around eddy‐covariance towers and creates important insights for the interpretation of hot spots of CH 4 flux, paving the way for future studies aiming to understand subsurface biogeochemical processes and the microbiological conditions that lead to the occurrence of hot spots and hot moments of CH 4 flux.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

De novo atomic protein structure modeling for cryoEM density maps using 3D transformer and HMM

Accurately building 3D atomic structures from cryo-EM density maps is a crucial step in cryo-EM-based protein structure determination. Converting density maps into 3D atomic structures for proteins lacking accurate homologous or predicted structures as templates remains a significant challenge. Here, we introduce Cryo2Struct, a fully automated de novo cryo-EM structure modeling method. Cryo2Struct utilizes a 3D transformer to identify atoms and amino acid types in cryo-EM density maps, followed by an innovative Hidden Markov Model (HMM) to connect predicted atoms and build protein backbone structures. Cryo2Struct produces substantially more accurate and complete protein structural models than the widely used ab initio method Phenix. Additionally, its performance in building atomic structural models is robust against changes in the resolution of density maps and the size of protein structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

High-resolution mapping of spatial heterogeneity in ice wedge polygon geomorphology near Prudhoe Bay, Alaska

It is well known that microtopography associated with ice wedge polygons drives pronounced, meter-scale spatial gradients in hydrologic and ecological processes on the tundra. However, highresolution maps of polygonal geomorphology are rarely available, due to the complexity and subtlety of ice wedge polygon relief at landscape scales. Here we present a sub-meter resolution map of >106 discrete ice wedge polygons across a ~1200 km2 landscape, delineated within a lidar-derived digital elevation model. The delineation procedure relies on a convolutional neural network paired with a set of common image processing operations and permits explicit measurement of relative elevation at the center of each ice wedge polygon. The resulting map visualizes meter- to kilometer-scale spatial gradients in polygonal geomorphology across an extensive landscape with unprecedented detail. This high-resolution inventory of polygonal geomorphology provides rich spatial context for extrapolating observations of environmental processes across the landscape. The map also represents an extensive baseline dataset for quantifying contemporary land surface deformation (i.e., thermokarst) at the survey area, through future topographic surveys.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A biomass map of the Brazilian Amazon from multisource remote sensing

The Amazon Forest, the largest contiguous tropical forest in the world, stores a significant fraction of the carbon on land. Changes in climate and land use affect total carbon stocks, making it critical to continuously update and revise the best estimates for the region, particularly considering changes in forest dynamics. Forest inventory data cover only a tiny fraction of the Amazon region, and the coverage is not sufficient to ensure reliable data interpolation and validation. This paper presents a new forest above-ground biomass map for the Brazilian Amazon and the associated uncertainty both with a resolution of 250 meters and baseline for the satellite dataset the year of 2016 (i.e., the year of the satellite observation). A significant increase in data availability from forest inventories and remote sensing has enabled progress towards high-resolution biomass estimates. This work uses the largest airborne LiDAR database ever collected in the Amazon, mapping 360,000 km 2 through transects distributed in all vegetation categories in the region. The map uses airborne laser scanning (ALS) data calibrated by field forest inventories that are extrapolated to the region using a machine learning approach with inputs from Synthetic Aperture Radar (PALSAR), vegetation indices obtained from the Moderate-Resolution Imaging Spectroradiometer (MODIS) satellite, and precipitation information from the Tropical Rainfall Measuring Mission (TRMM). A total of 174 field inventories geolocated using a Differential Global Positioning System (DGPS) were used to validate the biomass estimations. The experimental design allowed for a comprehensive representation of several vegetation types, producing an above-ground biomass map varying from a maximum value of 518 Mg ha -1 , a mean of 174 Mg ha -1 , and a standard deviation of 102 Mg ha -1 . This unique dataset enabled a better representation of the regional distribution of the forest biomass and structure, providing further studies and critical information for decision-making concerning forest conservation, planning, carbon emissions estimate, and mechanisms for supporting carbon emissions reductions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

StructureDistiller: Structural relevance scoring identifies the most informative entries of a contact map

Protein folding and structure prediction are two sides of the same coin. Contact maps and the related techniques of constraint-based structure reconstruction can be considered as unifying aspects of both processes. We present the Structural Relevance (SR) score which quantifies the information content of individual contacts and residues in the context of the whole native structure. The physical process of protein folding is commonly characterized with spatial and temporal resolution: some residues are Early Folding while others are Highly Stable with respect to unfolding events. We employ the proposed SR score to demonstrate that folding initiation and structure stabilization are subprocesses realized by distinct sets of residues. The example of cytochrome c is used to demonstrate how StructureDistiller identifies the most important contacts needed for correct protein folding. This shows that entries of a contact map are not equally relevant for structural integrity. The proposed StructureDistiller algorithm identifies contacts with the highest information content; these entries convey unique constraints not captured by other contacts. Identification of the most informative contacts effectively doubles resilience toward contacts which are not observed in the native contact map. Furthermore, this knowledge increases reconstruction fidelity on sparse contact maps significantly by 0.4 Å.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Approximation of nearly-periodic symplectic maps via structure-preserving neural networks

A continuous-time dynamical system with parameter ε is nearly-periodic if all its trajectories are periodic with nowhere-vanishing angular frequency as ε approaches 0. Nearly-periodic maps are discrete-time analogues of nearly-periodic systems, defined as parameter-dependent diffeomorphisms that limit to rotations along a circle action, and they admit formal U(1) symmetries to all orders when the limiting rotation is non-resonant. For Hamiltonian nearly-periodic maps on exact presymplectic manifolds, the formal U(1) symmetry gives rise to a discrete-time adiabatic invariant. In this paper, we construct a novel structure-preserving neural network to approximate nearly-periodic symplectic maps. This neural network architecture, which we call symplectic gyroceptron, ensures that the resulting surrogate map is nearly-periodic and symplectic, and that it gives rise to a discrete-time adiabatic invariant and a long-time stability. This new structure-preserving neural network provides a promising architecture for surrogate modeling of non-dissipative dynamical systems that automatically steps over short timescales without introducing spurious instabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Mapping canopy traits over Québec using airborne and spaceborne imaging spectroscopy

Abstract The advent of new spaceborne imaging spectrometers offers new opportunities for ecologists to map vegetation traits at global scales. However, to date most imaging spectroscopy studies exploiting satellite spectrometers have been constrained to the landscape scale. In this paper we present a new method to map vegetation traits at the landscape scale and upscale trait maps to the continental level, using historical spaceborne imaging spectroscopy (Hyperion) to derive estimates of leaf mass per area, nitrogen, and carbon concentrations of forests in Québec, Canada. We compare estimates for each species with reference field values and obtain good agreement both at the landscape and continental scales, with patterns consistent with the leaf economic spectrum. By exploiting the Hyperion satellite archive to map these traits and successfully upscale the estimates to the continental scale, we demonstrate the great potential of recent and upcoming spaceborne spectrometers to benefit plant biodiversity monitoring and conservation efforts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Planck 2015 results: VIII. High Frequency Instrument data processing: Calibration and maps

This paper describes the processing applied to the cleaned, time-ordered information obtained from the Planck High Frequency Instrument (HFI) with the aim of producing photometrically calibrated maps in temperature and (for the first time) in polarization. The data from the entire 2.5-year HFI mission include almost five full-sky surveys. HFI observes the sky over a broad range of frequencies, from 100 to 857 GHz. To obtain the best accuracy on the calibration over such a large range, two different photometric calibration schemes have been used. The 545 and 857 GHz data are calibrated using models of planetary atmospheric emission. The lower frequencies (from 100 to 353 GHz) are calibrated using the time-variable cosmological microwave background dipole, which we call the orbital dipole. This source of calibration only depends on the satellite velocity with respect to the solar system. Using a CMB temperature of T CMB = 2.7255 ± 0.0006 K, it permits an independent measurement of the amplitude of the CMB solar dipole (3364.3 ± 1.5 μK), which is approximatively 1σ higher than the WMAP measurement with a direction that is consistent between the two experiments. We describe the pipeline used to produce the maps of intensity and linear polarization from the HFI timelines, and the scheme used to set the zero level of the maps a posteriori. We also summarize the noise characteristics of the HFI maps in the 2015 Planck data release and present some null tests to assess their quality. Lastly, we discuss the major systematic effects and in particular the leakage induced by flux mismatch between the detectors that leads to spurious polarization signal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Planck intermediate results: XLIV. Structure of the Galactic magnetic field from dust polarization maps of the southern Galactic cap

Using data from the Planck satellite, we study in this paper the statistical properties of interstellar dust polarization at high Galactic latitudes around the south pole (b < -60°). Our aim is to advance the understanding of the magnetized interstellar medium (ISM), and to provide a modelling framework of the polarized dust foreground for use in cosmic microwave background (CMB) component-separation procedures. We examine the Stokes I, Q, and U maps at 353 GHz, and particularly the statistical distribution of the polarization fraction (p) and angle (ψ), in order to characterize the ordered and turbulent components of the Galactic magnetic field (GMF) in the solar neighbourhood. The Q and U maps show patterns at large angular scales, which we relate to the mean orientation of the GMF towards Galactic coordinates (l 0 ,b 0 ) = (70° ± 5°,24° ± 5°). The histogram of the observed p values shows a wide dispersion up to 25%. The histogram of ψ has a standard deviation of 12° about the regular pattern expected from the ordered GMF. We build a phenomenological model that connects the distributions of p and ψ to a statistical description of the turbulent component of the GMF, assuming a uniform effective polarization fraction (p 0 ) of dust emission. To compute the Stokes parameters, we approximate the integration along the line of sight (LOS) as a sum over a set of N independent polarization layers, in each of which the turbulent component of the GMF is obtained from Gaussian realizations of a power-law power spectrum. We are able to reproduce the observed p and ψ distributions using a p 0 value of 26%, a ratio of 0.9 between the strengths of the turbulent and mean components of the GMF, and a small value of N. The mean value of p (inferred from the fit of the large-scale patterns in the Stokes maps) is 12 ± 1%. We relate the polarization layers to the density structure and to the correlation length of the GMF along the LOS. We emphasize the simplicity of our model (involving only a few parameters), which can be easily computed on the celestial sphere to produce simulated maps of dust polarization. Finally, our work is an important step towards a model that can be used to assess the accuracy of component-separation methods in present and future CMB experiments designed to search the B mode CMB polarization from primordial gravity waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A neutron fluence map of the Los Alamos National Laboratory Godiva IV critical assembly

A neutron fluence map and a total ionizing dose map of the Los Alamos National Laboratory Godiva IV fast burst critical assembly was generated using passive reactor dosimetry, comprised of sulfur pellets and thermoluminescent dosimeters. Godiva IV is an unmoderated, fast burst, critical assembly constructed of approximately 65 kg of highly enriched uranium fuel alloyed with 1.5 % molybdenum for strength. The mapping was performed during a single 75.6 ºC temperature rise burst operation, with the top and sides of the cylindrical Godiva-IV Top Hat covered in passive dosimetry. Dosimetry was placed in a symmetric pattern around the Top Hat, with higher concentrations near the control rods and burst rod. A specific portion of the lower quadrant of the burst rod was mapped to confirm a testing region where the neutron fluence varied by no more than ± 5%. The results will be used to assess the neutron, gamma, and total ionizing dose environment in three-dimensional space around the assembly for higher fidelity experiment placement, active dosimetry positioning, and radiation field characterization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Hypercrosslinked polystyrene networks: An atomistic molecular dynamics simulation combined with a mapping/reverse mapping procedure

An algorithm involving classical molecular dynamics simulations with mapping and reverse mapping procedure is here suggested to simulate the crosslinking of the polystyrene dissolved in dichloroethane by monochlorodimethyl ether. The algorithm comprises consecutive stages: molecular dynamics atomistic simulation of a polystyrene solution, the mapping of atomistic structure onto coarse-grained model, the crosslink formation, the reverse mapping, and finally relaxation of the structure dissolved in dichloroethane and in dry state. The calculated values of the specific volume and the elastic modulus are in reasonable quantitative correspondence with experimental data.

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

Classical mapping for Hubbard operators: Application to the double-Anderson model

A classical Cartesian mapping for Hubbard operators is developed to describe the nonequilibrium transport of an open quantum system with many electrons. The mapping of the Hubbard operators representing the many-body Hamiltonian is derived by using analogies from classical mappings of boson creation and annihilation operators vis-à-vis a coherent state representation. The approach provides qualitative results for a double quantum dot array (double Anderson impurity model) coupled to fermionic leads for a range of bias voltages, Coulomb couplings, and hopping terms. While the width and height of the conduction peaks show deviations from the master equation approach considered to be accurate in the limit of weak system-leads couplings and high temperatures, the Hubbard mapping captures all transport channels involving transition between many electron states, some of which are not captured by approximate nonequilibrium Green function closures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

An applied light-beam induced current study of dye-sensitised solar cells: Photocurrent uniformity mapping and true photoactive area evaluation

The conditions for light-beam induced current (LBIC) measurement were experimentally optimised for dye-sensitised solar cells. The impacts of too fast a laser diode modulation frequency (f) and too short a dwell time (t{sub 0}) were investigated for their distortions, artefacts, and noise on the overall photocurrent map image. Optimised mapping conditions for fastest measurement were obtained at a f = 15 Hz and t{sub 0} = 900 ms. Whole device maps (nominal area 4 × 4 mm{sup 2}) were obtained on devices in which fabrication defects were intentionally induced. The defects were readily resolved with the LBIC setup and conditions. The inclusion of defects had the effect of broadening the photocurrent distribution and producing a sub-optimal tail to photocurrent histograms. Photoactive areas were derived from LBIC maps and were larger than those predicted by the projected screen printing pattern by up to 25%, which has obvious implications for efficiency measurements made on nominal projected active area.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Photoluminescence and Raman mapping of β-Ga 2 O 3

Semi-insulating single crystal β-Ga 2 O 3 is becoming increasingly useful as a substrate for device fabrication. Fe doping is a method for producing such substrates. Along with Fe dopants, β-Ga 2 O 3 :Fe also contains Cr 3+ . Photoluminescence (PL) emission peaks at 690 nm (1.80 eV) and 696 nm (1.78 eV), as well as a broad feature around 709 nm (1.75 eV), are observed in β-Ga 2 O 3 :Fe. PL mapping of the 690 nm emission showed high and low intensity bands due to impurity striations introduced during crystal growth. PL mapping also revealed surface defects showing broad emissions around 983 nm (1.26 eV) and 886 nm (1.40 eV) that were spatially localized, occurring at discrete spots on the sample surface. Raman mapping of an 886 nm emission center revealed peaks at 2878 and 2930 cm -1 , consistent with an organometallic or hydrocarbon compound. Raman mapping of the 983 nm center showed a peak at 2892 cm -1 . Bright UV emission centers showed Raman peaks at 2910 and 2968 cm -1 , which are attributed to Si-CH 3 groups that may originate from silica polishing compounds or annealing in a silica ampoule.

36 MATERIALS SCIENCE↗