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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

Palosz, B.↗
NASA NTRS2016

Retrievals of Cloud Droplet Size from the RSP Data: Validation Using in Situ Measurements

We present comparisons of cloud droplet size distributions retrieved from the Research Scanning Polarimeter (RSP) data with correlative in situ measurements made during the North Atlantic Aerosols and Marine Ecosystems Study (NAAMES). This field experiment was based at St. Johns airport, Newfoundland, Canada with the latest deployment in May - June 2016. RSP was onboard the NASA C-130 aircraft together with an array of in situ and other remote sensing instrumentation. The RSP is an along-track scanner measuring polarized and total reflectances in9 spectral channels. Its unique high angular resolution allows for characterization of liquid water droplet size using the rainbow structure observed in the polarized reflectances in the scattering angle range between 135 and 165 degrees. A parametric fitting algorithm applied to the polarized reflectances provides retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, Rainbow Fourier Transform (RFT), which allows us to retrieve the droplet size distribution (DSD) itself. The latter is important in the case of clouds with complex structure, which results in multi-modal DSDs. During NAAMES the aircraft performed a number of flight patterns specifically designed for comparison of remote sensing retrievals and in situ measurements. These patterns consisted of two flight segments above the same straight ground track. One of these segments was flown above clouds allowing for remote sensing measurements, while the other was at the cloud top where cloud droplets were sampled. We compare the DSDs retrieved from the RSP data with in situ measurements made by the Cloud Droplet Probe (CDP). The comparisons show generally good agreement with deviations explainable by the position of the aircraft within cloud and by presence of additional cloud layers in RSP view that do not contribute to the in situ DSDs. In the latter case the distributions retrieved from the RSP data were consistent with the multi-layer cloud structures observed in the correlative High Spectral Resolution Lidar (HSRL) profiles. The comparison results provide a rare validation of polarimetric droplet size retrieval techniques, which can be used for analysis of satellite data on global scale.

cloud droplets↗
NASA NTRS1977

Load distributions on slender delta wings having vortex flow

Results obtained through application of potential-flow theory based on a suction flow analogy for incompressible flow are compared to attached-flow theory and to experimental data acquired for sharp-edged delta wings. The error incurred in predicting structural loads on the basis of attached-flow theory is investigated. Force and moment coefficients and load distributions are used in the comparisons. The root bending moment can be estimated by assuming vortex lift concentrated at the wing leading edge. While this may entail some error at large angles of attack (owing to inboard movement of the center of vortex lift), it may furnish an upper bound in evaluating results based on other theories.

Kuhlman, J.↗
NASA NTRS1994

Illustrated structural application of universal first-order reliability method

The general application of the proposed first-order reliability method was achieved through the universal normalization of engineering probability distribution data. The method superimposes prevailing deterministic techniques and practices on the first-order reliability method to surmount deficiencies of the deterministic method and provide benefits of reliability techniques and predictions. A reliability design factor is derived from the reliability criterion to satisfy a specified reliability and is analogous to the deterministic safety factor. Its application is numerically illustrated on several practical structural design and verification cases with interesting results and insights. Two concepts of reliability selection criteria are suggested. Though the method was developed to support affordable structures for access to space, the method should also be applicable for most high-performance air and surface transportation systems.

Verderaime, V.↗
DOE OSTI2023

Local cation ordering in compositionally complex Ruddlesden–Popper n = 1 oxides

The Ruddlesden–Popper (RP) layered perovskite structure is of great interest due to its inherent tunability, and the emergence and growth of the compositionally complex oxide (CCO) concept endows the RP family with further possibilities. Here, a comprehensive assessment of thermodynamic stabilization, local order/disorder, and lattice distortion was performed in the first two reported examples of lanthanum-deficient La n+1 B n O 3n+1 (n = 1, B = Mg, Co, Ni, Cu, Zn) obtained via various processing conditions. Chemical short-range order (CSRO) at the B-site and the controllable excess interstitial oxygen (δ) in RP-CCOs are uncovered by neutron pair distribution function analysis. Reverse Monte Carlo analysis of the data, Metropolis Monte Carlo simulations, and extended x-ray absorption fine structure analysis implies a modest degree of magnetic element segregation on the local scale. Further, ab initio molecular dynamics simulations results obtained from special quasirandom structure disagree with experimentally observed CSRO but confirm Jahn–Teller distortion of CuO 6 octahedra. These findings highlight potential opportunities to control local order/disorder and excess interstitial oxygen in layered RP-CCOs and demonstrate a high degree of freedom for tailoring application-specific properties. They also suggest a need for expansion of theoretical and data modeling approaches in order to meet the innate challenges of CCO and related high-entropy phases.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding protein-complex assembly through grand canonical maximum entropy modeling

Inside a cell, heterotypic proteins assemble in inhomogeneous, crowded systems where the abundance of these proteins vary with cell types. While some protein complexes form putative structures that can be visualized with imaging, there are far more protein complexes that are yet to be solved because of their dynamic associations with one another. Nevertheless, it is possible to infer these protein complexes through a physical model. However, it is often not clear to physicists what kind of data from biology is necessary for such a modeling endeavor. Here, we aim to model these clusters of coarse-grained protein assemblies from multiple subunits through the constraints of interactions among the subunits and the chemical potential of each subunit. We obtained the constraints on the interactions among subunits from the known protein structures. We inferred the chemical potential that dictates the particle number distribution of each protein subunit from the knowledge of protein abundance from experimental data. Guided by the maximum entropy principle, we formulated an inverse statistical mechanical method to infer the distribution of particle numbers from the data of protein abundance as chemical potentials for a grand canonical multicomponent mixture. Using grand canonical Monte Carlo simulations, we captured a distribution of high-order clusters in a protein complex of succinate dehydrogenase with four known subunits. The complexity of hierarchical clusters varies with the relative protein abundance of each subunit in distinctive cell types such as lung, heart, and brain. When the crowding content increases, we observed that crowding stabilizes emergent clusters that do not exist in dilute conditions. We, therefore, proposed a testable hypothesis that the hierarchical complexity of protein clusters on a molecular scale is a plausible biomarker of predicting the phenotypes of a cell.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Kinematics and ionization of extended gas in active galaxies. IV - The Seyfert 2 galaxy NGC 4388

The results of direct CCD imaging and long-slit medium-dispersion spectroscopy of the extended narrow-line-emitting gas in the nearby Seyfert 2 galaxy NGC 4388 are presented. The spectra are used to investigate the distribution, kinematics, and ionization structure of the excited gas in the regions surrounding the nucleus out to a distance of about 4.8 kpc. The data support earlier suggestions that the galaxy, which appears to lie near the core of the Virgo cluster, has been tidally distorted, possibly by the nearby cluster core galaxies M84 or IC 3303. Much of the highly ionized gas in the galaxy appears to be distributed in two wide cones originating from the nucleus and extending above and below the disk. Explanations are offered for the distribution of this gas and for the remainder of the gas above and below the disk.

Corbin, Michael R.↗
DOE OSTI2021

Understanding the Adsorption of Rare-Earth Elements in Oligo-Grafted Mesoporous Carbon

Rare-earth elements (REEs) are 17 elements of the periodic table primarily consisting of lanthanides. In modern society, the usage of REEs is ubiquitous in almost all modern gadgets and therefore efficient recovery and separation of REEs are of high importance. Selective adsorption and chelation of REEs in solid sorbents is a unique and sustainable process for their recovery. In this work, single-stranded oligos with 100 units of thymine were grafted onto carboxylated mesoporous carbon to synthesize a sorbent with phosphorus and oxygen functionalities. Additionally, the sorbent was characterized by X-ray photoelectron spectroscopy, Fourier-transform infrared spectroscopy, and scanning electron microscopy-energy-dispersive X-ray spectroscopy. Three different REEs with varying atomic radii and densities, Lu, Dy, and La, were adsorbed onto the carbon from aqueous solutions. It was observed that the adsorbed amounts increased with the increase in the atomic radius or decrease in the atomic density. Calculation of the distribution coefficients for all the equilibrium adsorption amounts suggested that adsorption is more effective in the lower concentration region. The L 3 -edge X-ray absorption near-edge structure confirmed a 3+ oxidation state of REEs in the adsorbed phase. Extended X-ray absorption fine structure (EXAFS) confirmed the binding of REEs with oxygen functionalities in the adsorbed phase. The radial distribution functions calculated from the EXAFS data suggest a longer RE–O distance for La compared to those for Lu and Dy. The coordination numbers and Debye–Waller factors have typical values of about 8–9 atoms and 0.01–0.02 Å 2 , respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Bayesian Adaptive Polynomial Chaos Expansions

Polynomial chaos expansions (PCEs) are widely used for uncertainty quantification (UQ) tasks, particularly in the applied mathematics community. However, PCE has received comparatively less attention in the statistics literature, and fully Bayesian formulations remain rare—especially with implementations in R. Motivated by the success of adaptive Bayesian machine learning models such as BART, BASS and BPPR, we develop a new fully Bayesian adaptive PCE method with an efficient and accessible R implementation: khaos. Our approach includes a novel proposal distribution that enables data-driven interaction selection and supports a modified g-prior tailored to PCE structure. Through simulation studies and real-world UQ applications, we demonstrate that the Bayesian adaptive PCE provides competitive performance for surrogate modeling, global sensitivity analysis and ordinal regression tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Fission fragment decay simulations with the CGMF code

The CGMF code implements the Hauser-Feshbach statistical nuclear reaction model to follow the de-excitation of fission fragments by successive emissions of prompt neutrons and γ rays. The Monte Carlo technique is used to facilitate the analysis of complex distributions and correlations among the prompt fission observables. Starting from initial configurations for the fission fragments in mass, charge, kinetic energy, excitation energy, spin, and parity, Y(A,Z,KE,U,J,π), CGMF samples neutron and γ-ray probability distributions at each stage of the decay process, conserving energy, spin and parity. Nuclear structure and reaction input data from the RIPL3 library are used to describe fission fragment properties and decay probabilities. Characteristics of prompt fission neutrons, prompt fission γ rays, and independent fission yields can be studied consistently. Correlations in energy, angle and multiplicity among the emitted neutrons and γ rays can be easily analyzed as a function of the emitting fragments. Finally, in its current version, CGMF is limited to certain spontaneous fission reactions on Pu and Cf isotopes, as well as neutron-induced fission reactions up to 20 MeV on U, Np, and Pu isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Neural chaos: A spectral stochastic neural operator

Building surrogate models for operators with uncertainty quantification capabilities is essential for many engineering applications where randomness–such as variability in material properties, boundary conditions, and initial conditions–is unavoidable. Polynomial Chaos Expansion (PCE) is widely recognized as a go-to method for constructing stochastic surrogates in both intrusive and non-intrusive ways, and it has recently been used in the context of operator learning. However, its application becomes challenging for complex or high-dimensional processes, as achieving accuracy requires higher-order polynomials, which can increase computational demand and/or the risk of overfitting. Furthermore, PCE requires specialized treatments to manage random variables that are not independent, and these treatments may be problem-dependent or may fail with increasing complexity. Here, in this work, we adopt the same formalism as the spectral expansion used in PCE; however, we replace the classical polynomial basis functions with neural network (NN) basis functions to leverage their expressivity. To achieve this, we propose an algorithm that identifies NN-parameterized basis functions in a purely data-driven manner, without any prior assumptions about the joint distribution of the random variables involved, whether independent or dependent, or about their marginal distributions. The proposed algorithm identifies each NN-parameterized basis function sequentially, ensuring they are orthogonal with respect to the data distribution. The basis functions are constructed directly on the joint stochastic variables without requiring a tensor product structure or assuming independence of the random variables. This approach may offer greater flexibility for complex stochastic models, while simplifying implementation compared to the tensor product structures typically used in PCE to handle random vectors. This is particularly advantageous given the current state of open-source packages, where building and training neural networks can be done with just a few lines of code and extensive community support. We demonstrate the effectiveness of the proposed scheme through several numerical examples of varying complexity and provide comparisons with classical PCE.

Polynomial chaos expansion↗
DOE OSTI2019

Analysis of the MHD stability and energetic particles effects on EIC events in LHD plasma using a Landau-closure model

The aim of this study is to perform a theoretical analysis of the magnetohydrodynamic (MHD) stability and energetic particle effects on a LHD equilibria, calculated during a discharge where energetic-ion-driven resistive interchange mode (EIC) events were triggered. Here, we use the reduced MHD equations to describe the linear evolution of the poloidal flux and the toroidal component of the vorticity in a full 3D system, coupled with equations of density and parallel velocity moments for the energetic particles species, including the effect of the acoustic modes, multiple energetic particles (EP) species, helical couplings and helically trapped EP. We add the Landau damping and resonant destabilization effects using a closure relation. The simulations suggest that the helically trapped EP driven by the perpendicular neutral beam injector (NBI) further destabilizes the 1/1 MHD-like mode located at the plasma periphery ( r / a = 0.88). If the β of the EP driven by the perpendicular NBI is larger than 0.0025 a 1/1 EIC with a frequency around 3 kHz is destabilized. If the effect of the passing EP driven by the tangential NBI is included on the model, any enhancement of the injection intensity of the tangential NBI below β leads to a decrease of the instability growth rate. The simulations indicate that the perpendicular NBI EP is the main driver of the EIC events, as it was observed in the experiment. If the effect of the helical couplings are added in the model, an 11/13 EIC is destabilized with a frequency around 9 kHz, inward shifted ( r / a = 0.81) compared to the 1/1 EIC. Thus, one possible explanation for the EIC frequency chirping down from 9 to 3 kHz is a transition between the 11/13 to the 1/1 EIC due to a weakening of the destabilizing effect of the high n modes, caused by a decrease of the EP drive due to a loss of helically trapped EP or a change in the EP distribution function after the EIC burst. The experimental data during the EIC bursting phase shows a complex mode structure and an inward shift of the instability, although no direct evidence of the proposed transition has been observed yet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Analysis of ISEE-3/ICE solar wind data

Under the grant that ended November 11, 1988 work was accomplished in a number of areas, as follows: (1) Analysis of solar wind data; (2) Analysis of Giacobini/Zinner encounter data; (3) Investigation of solar wind and magnetospheric electron velocity distributions; and (4) Experimental investigation of the electronic structure of clusters. Reprints and preprints of publications resulting from this work are included in the appendices.

Coplan, Michael A.↗
NASA NTRS1989

Far infrared, submm and mm spectroscopy of the galactic center: Radio arc and +20/+50 km s (exp -1) clouds

The observations of the par improved spectroscopy and the molecular clouds at the galactic center are reported. The results show: the spatial distributions of C(II) 158 microns and molecular line radiation and of the thermal radio continuum emission in the arched filaments of the radio arc are similar; about 2 x 10(exp 4) of the solar mass, or 10 percent of the total gas mass in the radio arc, are contained in C(+) regions; the H(+)/C(+) regions are probably located at the surfaces of the dense molecular clouds in the arc. Profiles, fluxes and spatial distributions of the C(II) fine structure and CO rotational lines are reported. It is demonstrated that the data does not fit models in which the neutral interstellar clouds in the arc are ionized by shocks or by magnetohydrodynamic phenomena. Moreover, that the high temperatures and densities derived previously from NH3 and CS observations may not be characteristic of the bulk of the molecular gas.

Genzel, R.↗
NASA NTRS1992

Influence of airfoil geometry on delta wing leading-edge vortices and vortex-induced aerodynamics at supersonic speeds

An assessment of the influence of airfoil geometry on delta wing leading edge vortex flow and vortex induced aerodynamics at supersonic speeds is discussed. A series of delta wing wind tunnel models were tested over a Mach number range from 1.7 to 2.0. The model geometric variables included leading edge sweep and airfoil shape. Surface pressure data, vapor screen, and oil flow photograph data were taken to evaluate the complex structure of the vortices and shocks on the family of wings tested. The data show that airfoil shape has a significant impact on the wing upper surface flow structure and pressure distribution, but has a minimal impact on the integrated upper surface pressure increments.

Wood, Richard M.↗
NASA NTRS1992

Bursts of transverse ion acceleration at rocket altitudes

High-time-resolution ion mass spectrometer distribution function measurements and wave data from a sounding rocket flight over an aurora have revealed the fine structure of the transverse ion acceleration mechanism in the upper ionosphere. The transversely accelerated ion (TAI) events can occur in a volume with a cross-field dimension as small as several tens of meters and thus appear as 50-100 ms ion bursts due to the rocket payload motion. Bulk heating to a characteristic energy of several eV and tail heating in the direction perpendicular to B of a few percent of ambient ions to a characteristic energy the order of 10 eV occur for both hydrogen and oxygen ions. The TAI at 90 deg pitch angle occur in localized regions of intense lower hybrid waves and in regions of density depletion. On close examination of the correlation between the wave bursts and the TAI it is believed that the waves produce the ion acceleration. The TAI occur during periods of field-aligned auroral electron bursts. Finally, near 1000 km altitude they occur about once every second. If the event presented here is considered average, the flux of TAI oxygen ions above 7 eV could account for the ion conic fluxes measured by the ISIS spacecraft.

Arnoldy, R. L.↗
NASA NTRS1994

Deformation of the total ozone content field in the tropical zone

Presented are the ozone investigation results obtained in the tropical zone. Measurements of the total ozone content (TOC) were carried out by the ozonometer M-124. The ozonometer was automated to investigate the ozone intradiurnal variations and to increase precision of the TOC measurements. Obtained results allowed us to follow the effect of tropical cyclones (TC) on the TOC field. Several days before the TC formation the TOC increase is observed in daily mean course compared with the background one. Three types of trend can be singled out in the TOC intradiurnal course: zero, parabolic, quasi-linear. Maximum velocities of a trend are observed some days before the TC formation. Analogous harmonic constituents are mainly presented as spectrum of daily means of ozone, mean and absolute velocities of trend and dispersion as well as spectra of meteorological, hydrometeorological and actinometric values. Revealed is a number of day-to-day ozone variations concerned with large-scale circulations; moisture content in the atmosphere. Obtained are the data about short-period ozone waves (period less than a day). Thin-film silver sensors were used to measure the vertical ozone distribution (VOD). Atmospheric aerosol and VOD measurements were carried out simultaneously, they gave data of the VOD layered structure, where the VOD local minima coincided with the position of aerosol layers' maxima.

Vasilyev, Victor I.↗
NASA NTRS2010

Conduct of Geologic Field Work During Planetary Exploration: Why Geology Matters

The science of field geology is the investigative process of determining the distribution of rock units and structures on a planet fs surface, and it is the first-order data set that informs all subsequent studies of a planet, such as geochemistry, geochronology, geophysics, or remote sensing. For future missions to the Moon and Mars, the surface systems deployed must support the conduct of field geology if these endeavors are to be scientifically useful. This lecture discussed what field geology is all about.why it is important, how it is done, how conducting field geology informs many other sciences, and how it affects the design of surface systems and the implementation of operations in the future.

Eppler, Dean B.↗