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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Petrogenesis of the Zagami meteorite - Inferences from synchrotron X-ray (SXRF) microprobe and electron microprobe analyses of pyroxenes

Major and minor element abundances in pyroxene, principally pigeonite, from Zagami meteorite samples were determined by electron microprobe; abundances of trace elements Ni, Cu, Zn, and Ga were obtained by synchrotron X-ray (SXRF) microprobe. Abundances of Ni and Cr in the magnesian zones and cores are partially decoupled from abundances of other compatible (Mg) and incompatible (Fe,Ti) elements. The textures, chemical zoning, and element decouplings in the pigeonites are consistent with igneous crystal growth at moderate cooling rates, not isothermally or near equilibrium. From element partitioning and mass balance, Zagami is estimated to contain 20 +/- 5 percent or less cumulus pyroxene (half augite and half pigeonite), half the proportion suggested by equilibrium distribution of Fe/Mg between pigeonite and melt. This inconsistency may be resolved if all pigeonite/melt element partitioning was affected by the rapid growth of the pigeonites. The inference that the pyroxene zoning patterns reflect only magmatic events is consistent with an igneous age of 180 m.y. for Zagami.

Treiman, A. H.↗
DOE OSTI2020

The Coupled Influence of Thermal Physiology and Biotic Interactions on the Distribution and Density of Ant Species along an Elevational Gradient

A fundamental tenet of biogeography is that abiotic and biotic factors interact to shape the distributions of species and the organization of communities, with interactions being more important in benign environments, and environmental filtering more important in stressful environments. This pattern is often inferred using large databases or phylogenetic signal, but physiological mechanisms underlying such patterns are rarely examined. We focused on 18 ant species at 29 sites along an extensive elevational gradient, coupling experimental data on critical thermal limits, null model analyses, and observational data of density and abundance to elucidate factors governing species’ elevational range limits. Thermal tolerance data showed that environmental conditions were likely to be more important in colder, more stressful environments, where physiology was the most important constraint on the distribution and density of ant species. Conversely, the evidence for species interactions was strongest in warmer, more benign conditions, as indicated by our observational data and null model analyses. Our results provide a strong test that biotic interactions drive the distributions and density of species in warm climates, but that environmental filtering predominates at colder, high-elevation sites. Such a pattern suggests that the responses of species to climate change are likely to be context-dependent and more specifically, geographically-dependent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Surface Analysis Insight Note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films

It is common practice to describe the coordination of metal atoms in a binding configuration with their nearest neighbors in terms of oxidation state, a measure by which the number of electrons redistributed between atoms forming chemical bonds. In XPS terms, change to an oxidation state is commonly inferred by correlating photoemission signal with binding energy. The assumption, when classifying photoemission signals into distinct spectral shapes, is that a distribution of intensities shifted to lower binding energy is evidence of a reduction in oxidation state. In this Insight note, we raise the prospect that changes in photoemission peak shape may occur without obvious changes, determined by XPS in stoichiometry for a material. It is well known that TiO 2 measured by XPS yields reproducible Ti 2p photoemission peaks. However, on exposing TiO 2 to ion beams, Ti 2p photoemission evolves to complex distributions in intensity, which are particularly difficult to analyze by traditional fitting of bell-shaped curves to these data. For these reasons, in this Insight note, a thin film of TiO 2 deposited on a silicon substrate is chosen for analysis by XPS and linear algebraic techniques. Alterations in spectral shapes created from modified TiO 2 , which might be interpreted as the change in oxidation state, are assessed in terms of relative proportions of titanium to oxygen. It is found through detailed analysis of spectra that quantification by XPS, using procedures routinely used in practice, is not in accord with the typical interpretations of photoemission shapes. The data processing methods used and results presented in this work are of particular relevance to elucidating fundamental phenomena governing the surface evolution of materials-enabled energy processes where cyclic/non-steady usage changes the nature of bonding, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

GrainGNN: A dynamic graph neural network for predicting 3D grain microstructure

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically performed using multicomponent partial differential equations (PDEs) with moving interfaces. The inherent randomness of the PDE initial conditions (grain seeds) necessitates ensemble simulations to predict microstructure statistics, e.g., grain size, aspect ratio, and crystallographic orientation. Here, currently such ensemble simulations are prohibitively expensive and surrogates are necessary.In GrainGNN, we use a dynamic graph to represent interface motion and topological changes due to grain coarsening. We use a reduced representation of the microstructure using hand-crafted features; we combine pattern finding and altering graph algorithms with two neural networks, a classifier (for topological changes) and a regressor (for interface motion). Both networks have an encoder-decoder architecture; the encoder has a multi-layer transformer long-short-term-memory architecture; the decoder is a single layer perceptron.We evaluate GrainGNN by comparing it to high-fidelity phase field simulations for in-distribution and out-of-distribution grain configurations for solidification under laser power bed fusion conditions. GrainGNN results in 80%–90% pointwise accuracy; and nearly identical distributions of scalar quantities of interest (QoI) between phase field and GrainGNN simulations compared using Kolmogorov-Smirnov test. GrainGNN's inference speedup (PyTorch on single x86 CPU) over a high-fidelity phase field simulation (CUDA on a single NVIDIA A100 GPU) is 150×–2000× for 100-initial grain problem. Further, using GrainGNN, we model the formation of 11,600 grains in 220 seconds on a single CPU core.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Uncertainty quantification for Multiphase-CFD simulations of bubbly flows: a machine learning-based Bayesian approach supported by high-resolution experiments

In this paper, we developed a machine learning-based Bayesian approach to inversely quantify and reduce the uncertainties of multiphase computational fluid dynamics (MCFD) simulations for bubbly flows. The proposed approach is supported by high-resolution two-phase flow measurements, including those by double-sensor conductivity probes, high-speed imaging, and particle image velocimetry. Local distributions of key physical quantities of interest (QoIs), including the void fraction and phasic velocities, are obtained to support the Bayesian inference. In the process, the epistemic uncertainties of the closure relations are inversely quantified while the aleatory uncertainties from stochastic fluctuations of the system are evaluated based on experimental uncertainty analysis. The combined uncertainties are then propagated through the MCFD solver to obtain uncertainties of the QoIs, based on which probability-boxes are constructed for validation. The proposed approach relies on three machine learning methods: feedforward neural networks and principal component analysis for surrogate modeling, and Gaussian processes for model form uncertainty modeling. The whole process is implemented within the framework of an open-source deep learning library PyTorch with graphics processing unit (GPU) acceleration, thus ensuring the efficiency of the computation. The results demonstrate that with the support of high-resolution data, the uncertainties of MCFD simulations can be significantly reduced. The proposed approach has the potential for other applications that involve numerical models with empirical parameters.

42 ENGINEERING↗
DOE OSTI2019

Correlating results from high resolution EBSD with TEM- and ECCI-based dislocation microscopy: Approaching single dislocation sensitivity via noise reduction

High resolution electron backscatter diffraction (HREBSD), an SEM-based diffraction technique, may be used to measure the lattice distortion of a crystalline material and to infer the geometrically necessary dislocation content. Uncertainty in the image correlation process used to compare diffraction patterns leads to an uneven distribution of measurement noise in terms of the lattice distortion, which results in erroneous identification of dislocation type and density. This work presents a method of reducing noise in HREBSD dislocation measurements by removing the effect of the most problematic components of the measured distortion. The method is then validated by comparing with TEM analysis of dislocation pile-ups near a twin boundary in austenitic stainless steel and with ECCI analysis near a nano-indentation on a tantalum oligocrystal. Finally, the HREBSD dislocation microscopy technique is able to resolve individual dislocations visible in TEM and ECCI and correctly identify their Burgers vectors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Map-level baryonification: unified treatment of weak lensing two-point and higher-order statistics

Precision cosmology benefits from extracting maximal information from cosmic structures, motivating the use of higher-order statistics (HOS) at small spatial scales. However, predicting how baryonic processes modify matter statistics at these scales has been challenging. The baryonic correction model (BCM) addresses this by modifying dark-matter-only simulations to mimic baryonic effects, providing a flexible, simulation-based framework for predicting both two-point and HOS. We show that a 3-parameter version of the BCM can jointly fit weak lensing maps' two-point statistics, wavelet phase harmonics coefficients, scattering coefficients, and the third and fourth moments to within 2% accuracy across all scales ℓ < 2000 and tomographic bins for a DES-Y3-like redshift distribution ( z ≲ 2), using the FLAMINGO simulations. These results demonstrate the viability of BCM-assisted, simulation-based weak lensing inference of two-point and HOS, paving the way for robust cosmological constraints that fully exploit non-Gaussian information on small spatial scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Numerical methods and hypoexponential approximations for gamma distributed delay differential equations

Abstract Gamma distributed delay differential equations (DDEs) arise naturally in many modelling applications. However, appropriate numerical methods for generic gamma distributed DDEs have not previously been implemented. Modellers have therefore resorted to approximating the gamma distribution with an Erlang distribution and using the linear chain technique to derive an equivalent system of ordinary differential equations (ODEs). In this work, we address the lack of appropriate numerical tools for gamma distributed DDEs in two ways. First, we develop a functional continuous Runge–Kutta (FCRK) method to numerically integrate the gamma distributed DDE without resorting to Erlang approximation. We prove the fourth-order convergence of the FCRK method and perform numerical tests to demonstrate the accuracy of the new numerical method. Nevertheless, FCRK methods for infinite delay DDEs are not widely available in existing scientific software packages. As an alternative approach to solving gamma distributed DDEs, we also derive a hypoexponential approximation of the gamma distributed DDE. This hypoexponential approach is a more accurate approximation of the true gamma distributed DDE than the common Erlang approximation but, like the Erlang approximation, can be formulated as a system of ODEs and solved numerically using standard ODE software. Using our FCRK method to provide reference solutions, we show that the common Erlang approximation may produce solutions that are qualitatively different from the underlying gamma distributed DDE. However, the proposed hypoexponential approximations do not have this limitation. Finally, we apply our hypoexponential approximations to perform statistical inference on synthetic epidemiological data to illustrate the utility of the hypoexponential approximation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Building a genome-based understanding of bacterial pH preferences

The environmental preferences of many microbes remain undetermined. This is the case for bacterial pH preferences, which can be difficult to predict a priori despite the importance of pH as a factor structuring bacterial communities in many systems. We compiled data on bacterial distributions from five datasets spanning pH gradients in soil and freshwater systems (1470 samples), quantified the pH preferences of bacterial taxa across these datasets, and compiled genomic data from representative bacterial taxa. While taxonomic and phylogenetic information were generally poor predictors of bacterial pH preferences, we identified genes consistently associated with pH preference across environments. We then developed and validated a machine learning model to estimate bacterial pH preferences from genomic information alone, a model that could aid in the selection of microbial inoculants, improve species distribution models, or help design effective cultivation strategies. More generally, we demonstrate the value of combining biogeographic and genomic data to infer and predict the environmental preferences of diverse bacterial taxa.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1974

Photoballistics of volcanic jet activity at Stromboli, Italy

Two night eruptions of the volcano Stromboli were studied through 70-mm photography. Single-camera techniques were used. Particle sphericity, constant velocity in the frame, and radial symmetry were assumed. Properties of the particulate phase found through analysis include: particle size, velocity, total number of particles ejected, angular dispersion and distribution in the jet, time variation of particle size and apparent velocity distribution, averaged volume flux, and kinetic energy carried by the condensed phase. The frequency distributions of particle size and apparent velocities are found to be approximately log normal. The properties of the gas phase were inferred from the fact that it was the transporting medium for the condensed phase. Gas velocity and time variation, volume flux of gas, dynamic pressure, mass erupted, and density were estimated. A CO2-H2O mixture is possible for the observed eruptions. The flow was subsonic. Velocity variations may be explained by an organ pipe resonance. Particle collimation may be produced by a Magnus effect.

Chouet, B.↗
NASA NTRS1977

Analytic model approach to the inversion of scattering data

An analytic model approach is applied to several simple atmospheric inversion problems. This method gives a sharp determination of aerosol size distribution parameters. It is shown that this analytic approach, together with ground level point sampling data measurements, can be used to infer information on the tropospheric ozone profile.

Green, A. E. S.↗
NASA NTRS1979

High-latitude field-aligned current sources and induced electric fields

Using a simple, planar model of the high latitude ionosphere with an enhanced conductivity auroral ring, the electric potential is computed for a pair of field-aligned current sheets inferred from observations. The relationship of various characteristics of the electric potential pattern to features of the field-aligned current distribution are elucidated in the context of a generalized field-aligned current Fourier analysis. On the basis of the analysis and observations to date, it is concluded that boundary layer dynamo action is the prevalent mechanism in the solar wind/magnetosphere/ionosphere interaction.

Barbosa, D. D.↗
NASA NTRS1989

Upper-tropospheric influences on Western Pacific tropical cyclone intensity change as inferred from satellite ozone observations

The use of Nimbus-7 TOMS data to diagnose changes in tropical cyclone intensity is demonstrated. The relationship between upper-tropospheric environmental total ozone distribution and intensity for a tropical cyclone case study is examined. The climatological total ozone patterns are used to identify the upper-tropospheric features to differentiate between intensifying and nonintensifying Western Pacific tropical cyclones.

Rodgers, Edward B.↗
NASA NTRS1992

The early Martian atmosphere

Atmospheric noble gases on Mars, Earth, and Venus are severely and variably depleted with respect to solar abundances, and are characterized by isotopic signatures that differ from planet to planet and from meteoritic and inferred solar compositions. Earlier theories based on simple accretion of meteoritic veneers as planetary volatile sources are unable to replicate these distributions, and so attention is now focusing on evolutionary processes that can fractionate both elements and isotopes, operating either on the early planets themselves or in large preplanetary planetesimals.

Pepin, Robert O.↗
NASA NTRS1992

Constraints on the thermal evolution of Venus inferred from Magellan data

The impact craters with diameters from 1.5 to 280 km compiled from Magellan observations indicate that the crater population on Venus has a completely spatially random distribution and the size/density distribution of craters with diameters greater than or equal to 35 km is consistent with a 'production' population with an age of 500 plus or minus 250 m.y. The similarity in size distribution from area to area indicates that the crater distribution is independent of crater size. Also, the forms of the modified craters are virtually identical to those of the pristine craters. These observations imply that Venus reset its cratering record by global resurfacing 500 m.y. ago, and resurfacing declined relatively fast. The fact that less than 40 percent of all craters have been modified and that the few volcanically embayed craters are located on localized tectonic regions indicate that only minor and localized volcanism and tectonism have occurred since the latest vigorous resurfacing event approximately 500 m.y. ago and the interior of Venus has been solid and possibly colder than Earth's. This is because the high-temperature lithosphere of Venus would facilitate upward ascending of mantle plumes and result in extensive volcanism if the venusian upper mantle were as hot as or hotter than Earth's. Therefore, the present surface morphology of Venus may provide useful constraints on the pattern of that vigorous convection, and possibly on the thermal state of the venusian mantle. We examine this possibility through numerical calculations of three-dimensional thermal convection models in a spherical shell with temperature- and pressure-dependent Newtonian viscosity, temperature-dependent thermal diffusivity, pressure-dependent thermal expansion coefficient, and time-dependent internal heat production rate solar magnitude.

Arkani-Hamed, Jafar↗
NASA NTRS1992

Differential correction technique for removing common errors in gas filter radiometer measurements

The Measurement of Air Pollution from Satellites (MAPS) gas filter radiometer experiment was designed to measure CO mixing ratios in the earth's atmosphere. MAPS also measures N2O to provide a reference channel for the atmospheric emitting temperature and to detect the presence of clouds. In this paper we formulate equations to correct the radiometric signals based on the spatial and temporal uniformity of the N2O mixing ratio in the atmosphere. Results of an error study demonstrate that these equations reduce the error in inferred CO mixing ratios. Subsequent application of the technique to the MAPS 1984 data set decreases the error in the frequency distribution of mixing ratios and increases the number of usable data points.

Wallio, H. A.↗
NASA NTRS1993

Structure of axisymmetric mantle plumes

The structure of axisymmetric subsolidus thermal plumes in the earth's lower mantle is inferred from calculations of axisymmetric thermal plumes in an infinite Prandtl number fluid with thermally activated viscosity. The velocity and temperature distribution is determined for axisymmetric convection above a heated disk in an incompressible fluid cylinder 2,400 km in height and 1,200 km in diameter. Several calculations of plumes with heat transport in the range 100-400 GW, similar to the advective heat transport at the Hawaiian hotspot, are presented. Hotspot formation by plumes originating at the base of the mantle requires both large viscosity variations and a minimum heat transport.

Olson, Peter↗
NASA NTRS2016

NuSTAR, SWIFT, and GROND Observations of the Flairing MeV Blazar PMN J0641-0320

MeV blazars are a sub-population of the blazar family, exhibiting larger-than-average jet powers, accretion luminosities, and black hole masses. Because of their extremely hard X-ray continua, these objects are best studied in the X-ray domain. Here, we report on the discovery by the Fermi Large Area Telescope and subsequent follow-up observations with NuSTAR, Swift, and GROND of a new member of the MeV blazar family: PMN J0641-0320. Our optical spectroscopy provides confirmation that this is a flat-spectrum radio quasar located at a redshift of z = 1.196. Its very hard NuSTAR spectrum (power-law photon index of approx.1 up to approx. 80 keV) indicates that the emission is produced via inverse Compton scattering off of photons coming from outside the jet. The overall spectral energy distribution of PMN J0641-0320 is typical of powerful blazars and, using a simple one-zone leptonic emission model, we infer that the emission region is located either inside the broad line region or within the dusty torus.

galaxies: active quasars: general↗