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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Transient analysis using conical shell elements

The use of the NASTRAN conical shell element in static, eigenvalue, and direct transient analyses is demonstrated. The results of a NASTRAN static solution of an externally pressurized ring-stiffened cylinder agree well with a theoretical discontinuity analysis. Good agreement is also obtained between the NASTRAN direct transient response of a uniform cylinder to a dynamic end load and one-dimensional solutions obtained using a method of characteristics stress wave code and a standing wave solution. Finally, a NASTRAN eigenvalue analysis is performed on a hydroballistic model idealized with conical shell elements.

Yang, J. C. S.↗
DOE OSTI2020

Relativistic two-component projection-based quantum embedding for open-shell systems

In this work, we present a relativistic quantum embedding formalism capable of variationally treating relativistic effects, including scalar-relativity and spin–orbit coupling. We extend density functional theory (DFT)-in-DFT projection-based quantum embedding to a relativistic two-component formalism, where the full spin magnetization vector form is retained throughout the embedding treatment. To benchmark various relativistic embedding schemes, spin–orbit splitting of the nominally t 2g valence manifold of W(CO) 6 , exchange coupling of [(H 3 N) 4 Cr(OH) 2 Cr(NH 3 ) 4 ] 4+ , and the dissociation potential curve of WF 6 are investigated. The relativistic embedding formalism introduced in this work is well suited for efficient modeling of open-shell systems containing late transition metal, lanthanide, and actinide molecular complexes.

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

Correlative cellular ptychography with functionalized nanoparticles at the Fe L-edge

Precise localization of nanoparticles within a cell is crucial to the understanding of cell-particle interactions and has broad applications in nanomedicine. Here in this paper, we report a proof-of-principle experiment for imaging individual functionalized nanoparticles within a mammalian cell by correlative microscopy. Using a chemically-fixed HeLa cell labeled with fluorescent core-shell nanoparticles as a model system, we implemented a graphene-oxide layer as a substrate to significantly reduce background scattering. We identified cellular features of interest by fluorescence microscopy, followed by scanning transmission X-ray tomography to localize the particles in 3D, and ptychographic coherent diffractive imaging of the fine features in the region at high resolution. By tuning the X-ray energy to the Fe L-edge, we demonstrated sensitive detection of nanoparticles composed of a 22 nm magnetic Fe 3 O 4 core encased by a 25-nm-thick fluorescent silica (SiO 2 ) shell. These fluorescent core-shell nanoparticles act as landmarks and offer clarity in a cellular context. Our correlative microscopy results confirmed a subset of particles to be fully internalized, and high-contrast ptychographic images showed two oxidation states of individual nanoparticles with a resolution of ~16.5 nm. The ability to precisely localize individual fluorescent nanoparticles within mammalian cells will expand our understanding of the structure/function relationships for functionalized nanoparticles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1985

Crustal structure of the Churchill-Superior boundary zone between 80 and 98 deg W longitude from Magsat anomaly maps and stacked passes

A modeling technique using spherical shell elements and equivalent dipole sources has been applied to Magsat signatures at the Churchill-Superior boundary in Manitoba, Ontario, and Ungava. A large satellite magnetic anomaly (12 nT amplitude) on POGO and Magsat maps near the Churchill-Superior boundary was found to be related to the Richmond Gulf aulacogen. The averaged crustal magnetization in the source region is 5.2 A/m. Stacking of the magnetic traces from Magsat passes reveals a magnetic signature (10 nT amplitude) at the Churchill-Superior boundary in an area studied between 80 deg W and 98 deg W. Modeling suggests a steplike thickening of the crust on the Churchill side of the boundary in a layer with a magnetization of 5 A/m. Signatures on aeromagnetic maps are also found in the source areas for both of these satellite anomalies.

Hall, D. H.↗
DOE OSTI2014

Shell effects in hot nuclei and their influence on nuclear composition in supernova matter

We calculate nuclear composition in supernova (SN) matter explicitly taking into account the temperature dependence of nuclear shell effects. The abundance of nuclei in SN matter is important in the dynamics of core-collapse supernovae and, in recently constructed equations of state (EOS) for SN matter, the composition of nuclei are calculated assuming nuclear statistical equilibrium wherein the nuclear internal free energies govern the composition. However, in these EOS, thermal effects on the shell energy are not explicitly taken into account. To address this shortfall, we calculate herein the shell energies of hot nuclei and examine their influence on the composition of SN matter. Following a simplified macroscopic-microscopic approach, we first calculate single-particle (SP) energies by using a spherical Woods-Saxon potential. Then we extract shell energies at finite temperatures using Strutinsky method with the Fermi distribution as the average occupation probability of the SP levels. The results show that at relatively low temperatures, shell effects are still important and magic nuclei are abundant. However, at temperatures above approximately 2 MeV, shell effects are almost negligible, and the mass fractions with shell energies including the thermal effect are close to those obtained from a simple liquid drop model at finite temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A unique Co@CoO catalyst for hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran

The development of precious-metal-free catalysts to promote the sustainable production of fuels and chemicals from biomass remains an important and challenging target. Here, we report the efficient hydrogenolysis of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran over a unique core-shell structured catalyst, Co@CoO that affords the highest productivity among all catalysts, including noble-metal-based catalysts, reported to date. Surprisingly, we find that the catalytically active sites reside on the shell of CoO with oxygen vacancies rather than the metallic Co. The combination of various spectroscopic experiments and computational modelling reveals that the CoO shell incorporating oxygen vacancies not only drives the heterolytic cleavage, but also the homolytic cleavage of H 2 to yield more active H δ- species, resulting in the exceptional catalytic activity. Co@CoO also exhibits excellent activity toward the direct hydrodeoxygenation of lignin model compounds. This study unlocks, for the first time, the potential of simple metal-oxide-based catalysts for the hydrodeoxygenation of renewable biomass to chemical feedstocks.

09 BIOMASS FUELS↗
DOE OSTI2018

Numerical Simulation of Bulging Deformation for Wide-Thick Slab Under Uneven Cooling Conditions

In the present work, the bulging deformation of a wide-thick slab under uneven cooling conditions was studied using finite element method. The non-uniform solidification was first calculated using a 2D heat transfer model. The thermal material properties were derived based on a microsegregation model, and the water flux distribution was measured and applied to calculate the cooling boundary conditions. Based on the solidification results, a 3D bulging model was established. The 2D heat transfer model was verified by the measured shell thickness and the slab surface temperature, and the 3D bulging model was verified by the calculated maximum bulging deflections using formulas. The bulging deformation behavior of the wide-thick slab under uneven cooling condition was then determined, and the effect of uneven solidification, casting speed, and roll misalignment were investigated.

36 MATERIALS SCIENCE↗
NASA NTRS2007

Coupled Groups of g-Modes in a Sun with Mixed Core

Groups of linear g-modes can sum to create long-lived nonlinear oscillations in small "hot volumes" very deep in the Sun that help drive the modes. In these volumes (dimensions -10 Mm), the time average rate of He-3 burning doubles as temperature fluctuations exceed 10% and rises by an order of magnitude for fluctuations of 25%. To be consistent with locally large motions, we impose a mixed shell on an otherwise standard solar model before computing g-mode solutions. Mixing in the assumed shell r = (0.10+/-0.03) R(sub sun) is rapid (<<10(exp 6) yr) with slower mixing somewhat beyond. If l is the principal spherical harmonic index, a set of g-modes for any single l less than or equal to 15 with five consecutive radial harmonics can be excited with nearly linear thermal amplitudes, A(sub T) less than or equal to 0.053, throughout the star and a fractional temperature fluctuation in its hot volume of (Delta)T/T less than or equal to 0.18. These thresholds for excitation will become smaller when sets for several values of l are computed simultaneously. There is some evidence for the rotation of g-mode sets in the long solar activity record and g-mode upward wave flux has been suggested to explain the 1.3 yr reversing flows tentatively detected below the Sun's convective envelope (CE). The large local amplitudes needed for excitation implies that g-modes may transport a non-negligible fraction of the solar luminosity, yet their near linear amplitudes outside the hot volume suggests amplitudes over most of the solar surface that would be barely detectable for l > 3. A formalism is presented for summing the g-modes and estimating growth rates under the approximation that modes are strictly linear except in a hot volume which holds only a few percent of mode kinetic energy. Finally over the range 2 less than or equal to l less than or equal to 30, we summed all zonal harmonics, m, for a given l and computed the relative angular orientations that would release the most nuclear energy. This should be close to the physically preferred angular state of such a family and a few examples were displayed.

Wolff, Charles L.↗
NASA NTRS2010

Investigation of a Macromechanical Approach to Analyzing Triaxially-Braided Polymer Composites

A macro level finite element-based model has been developed to simulate the mechanical and impact response of triaxially-braided polymer matrix composites. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. The material stiffness and strength values required for the constitutive model are determined based on coupon level tests on the braided composite. Simulations of quasi-static coupon tests of a representative braided composite are conducted. Varying the strength values that are input to the material model is found to have a significant influence on the effective material response predicted by the finite element analysis, sometimes in ways that at first glance appear non-intuitive. A parametric study involving the input strength parameters provides guidance on how the analysis model can be improved.

Goldberg, Robert K.↗
DOE OSTI2018

Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity

We report 3D coherent diffractive imaging (CDI) of Au/Pd core-shell nanoparticles with 6.1nm spatial resolution with elemental specificity. We measured single-shot diffraction patterns of the nanoparticles using intense x-ray free electron laser pulses. By exploiting the curvature of the Ewald sphere and the symmetry of the nanoparticle, we reconstructed the 3D electron density of 34 core-shell structures from these diffraction patterns. To extract 3D structural information beyond the diffraction signal, we implemented a super-resolution technique by taking advantage of CDI’s quantitative reconstruction capabilities. We used high-resolution model fitting to determine the Au core size and the Pd shell thickness to be 65.0±1.0nm and 4.0±0.5nm, respectively. We also identified the 3D elemental distribution inside the nanoparticles with an accuracy of 3%. To further examine the model fitting procedure, we simulated noisy diffraction patterns from a Au/Pd core-shell model and a solid Au model and confirmed the validity of the method. We anticipate this super-resolution CDI method can be generally used for quantitative 3D imaging of symmetrical nanostructures with elemental specificity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Predicting cutoff L-shells of solar protons using the GPPSn particle dataset

Solar energetic protons (SEPs) arriving at the Earth trigger severe radiation storms in the near-Earth space, directly impacting space missions operating at various altitudes. Therefore, monitoring SEP events and predicting the penetration depths of solar protons are critical for aerospace sectors. Building on previous efforts, here we demonstrate the feasibility of using proton measurements from the Global Prompt Proton Sensor network (GPPSn), enabled by Los Alamos National Laboratory developed combined X-ray dosimeters aboard GPS satellites, to characterize and predict the penetration of solar protons into the geomagnetic field. The inclined medium-Earth-orbits (MEOs) of the global GPS constellation offer a unique advantage of allowing simultaneous measurements of penetrating solar protons inside both open- and closed-field line regions. Therefore, the L-profiles of ∼10s–100 MeV solar protons and their associated cutoff L-shells can be determined from the GPPSn dataset, using predefined threshold proton flux values rather than traditional flux ratios. After examining a list of SEP event intervals across solar cycles 23, 24 and 25—including the 2024 Mother’s Day superstorm, we showcase how the latest GPPSn proton dataset (release v1.10), reprocessed and calibrated, can not only be used to monitor solar proton distributions inside the dynamic geomagnetic field for individual events, but also to derive a new empirical model linking cutoff L-shells with several key space weather parameters. This newly developed SEPCL-MEO model demonstrates high predictive performance; for example, predictions for > 30 MeV solar protons yield a correlation coefficient of 0.85 and performance efficiency of 0.67 when validated against GPPSn observations. Results from this pilot study underscores the scientific and operational value of the GPPSn dataset, and this dataset—when paired with machine-learning techniques—can play a critical role in observing and predicting the effects of future incoming SEP events, including extreme ones.

58 GEOSCIENCES↗
NASA NTRS1980

Glass shell manufacturing in space

A heat transfer model was developed that mathematically describes the heating and calculates the thermal history of a gel particle in free-fall through the furnace. The model parameters that greatly affect the calculations were found to be gel particle mass, geometry, specific heat, and furnace gas. Empirical testing of the model has commenced. The code calculations and the initial empirical testing results both indicate that the gel-to-shell transformation occurs early and rapidly in the thermal history of the gel particle, and that for current work the heat transfer rate is not a limitation in shell production.

Nolen, R. L., Jr.↗
NASA NTRS2007

Relativistic Iron K Emission and Absorption in the Seyfert 1.9 Galaxy MCG-05-23-16

We present the results of the simultaneous deep XMM-Newton and Chandra observations of the bright Seyfert 1.9 galaxy MCG-5-23-16, which is thought to have one of the best known examples of a relativistically broadened iron Kalpha line. We detected a narrow sporadic absorption line at 7.7 keV which appears to be variable on a time-scale of 20 ksec. If associated with FeXXVI this absorption is indicative of a possible variable high ionization, high velocity outflow. The time averaged spectral analysis shows that the iron K-shell complex is best modeled with an unresolved narrow emission component (FWHM less than 5000 kilometers per second, EW approx. 60 eV) plus a broad component. This latter component has FWHM approx. 44000 kilometers per second, an EW approx. 50 eV and its profile is well described with an emission line originating from the accretion disk viewed with an inclination angle approx. 40 deg. and with the emission arising from within a few tens of gravitational radii of the central black hole. The time-resolved spectral analysis of the XMM-Newton EPIC-pn spectrum shows that both the narrow and broad components of the Fe K emission line appear to be constant within the errors. The analysis of the XMM-Newton/RGS spectrum reveals that the soft X-ray emission of MCG-5-23-16 is likely dominated by several emission lines superimposed on an unabsorbed scattered power-law continuum. The lack of strong Fe L shell emission together with the detection of a strong forbidden line in the O VII triplet supports a scenario where the soft X ray emission lines are produced in a plasma photoionized by the nuclear emission.

Braito, V.↗
NASA NTRS1976

Structural analyses for the modification and verification of the Viking aeroshell

The Viking aeroshell is an extremely lightweight flexible shell structure that has undergone thorough buckling analyses in the course of its development. The analytical tools and modeling technique required to reveal the structural behavior are presented. Significant results are given which illustrate the complex failure modes not usually observed in simple models and analyses. Both shell-of-revolution analysis for the pressure loads and thermal loads during entry and a general shell analysis for concentrated tank loads during launch were used. In many cases fixes or alterations to the structure were required, and the role of the analytical results in determining these modifications is indicated.

Stephens, W. B.↗
DOE OSTI2023

Influence of clay mineral weathering on green rust formation at iron-reducing conditions

Green rusts (GR) are important drivers for trace metal and nutrient cycling in suboxic environments. We investigated whether green rusts would incorporate aluminum (Al) or other elements from naturally-formed clay minerals containing easily-weatherable clay minerals (e.g. mica, interlayered clays). We isolated the clay minerals from a Matapeake silt loam soil by removal of silt and sand, organic matter, and reducible oxides to study mechanisms of interaction between Fe(II) and soil-sourced clay minerals. We conducted batch Fe(II) sorption experiments at multiple near-neutral pHs (6.5–7.5) and reaction times (2h–365 days). Mineral transformations were characterized by selective extractions, X-ray diffraction (XRD), and Fe X-ray absorption spectroscopy (XAS) analyzed by shell-fitting and linear combination fitting (LCF) with natural and synthetic standards. Clay mineral fraction contained a mixture of quartz, kaolinite, interlayered vermiculite, mica, and chlorite with significant structural Fe (2.6% wt). Uptake of Fe(II) increased with pH and kinetics were rapid until 5 days, followed by slow continuous Fe(II) uptake. Citrate-bicarbonate desorption kinetics from Fe(II) sorbed clay released more Al and silicon (Si) compared with unreacted soil clay fraction whereas magnesium (Mg) and potassium (K) were unaffected. Citrate-bicarbonate extracted Fe contained more Fe(II) than an ideal GR with an Fe(II)/Fe(III) molar ratio of 5.50. Analysis of the Fe EXAFS by both LCF and shell fitting was best modeled as a combination of Fe(III)-clay reduction to Fe(II) and precipitation of GR and Fe(II)-Al LDH. After 7 days of Fe(II) sorption, LCF identified 55.2% total Fe in clay, 33.4% GR(Cl) and 11.4% Fe(II)-Al LDH. Further, these results provide novel evidence of Fe(II)-Al LDHs precipitating on naturally-formed soil clay minerals as a minor phase to GR. The geochemical implications are that GRs formed in soils and sediments should be considered to have Al and Si as well as Mg substitutions affecting their structure and reactivity.

58 GEOSCIENCES↗
DOE OSTI2024

Toward constraint of ionization-potential depression models in a convergent geometry

We demonstrate the value of inner-shell x-ray absorption spectroscopy for dense-plasma atomic physics and explore the coupling between constraint of the thermodynamic state and constraint of ionization-potential depression models. Synthetic K-shell absorption spectra are generated along a radius from a point-like core and analyzed using different ionization-potential depression models. Within this synthetic analysis framework, we identify plasma conditions (T e = 400 eV, ρ = 40g/cm 3 ) accessible by spherical implosions where K-shell absorption spectra discriminate between models if the material temperature is measured to a precision of 20%. The analysis is extensible to a finite-sized core and can be used to guide future studies of ionization-potential depression, informing material and radiative properties of matter in fusion plasmas and stellar interiors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Thermoelastic flutter models for elements of flexible satellites

Models of thermally induced flutter of the flexible elements of a satellite, such as beams, circular plates, and cylindrical shells have been obtained. These models form the necessary blocks for analyzing the motion of satellites. The heat input is considered to be caused by solar radiations. The partial differential equations for all the elements of the satellite are linear in the space dependent variables and nonlinear in the time-dependent variables. These equations are coupled through the motion of the center of mass of the satellite. Galerkin's method has been used to remove the space-dependence of these equations. In the succeeding paper, a further reduction of these equations is made into singular perturbation equations, which are amenable to solution for complex problems of extremely large number of degrees of freedom.

Huang, T. C.↗