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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Finite-difference algorithms for the time-domain Maxwell's equations - A numerical approach to RCS analysis

The applications of two CFD-based finite-difference methods to computational electromagnetics are investigated. In the first method, the time-domain Maxwell's equations are solved using the explicit Lax-Wendroff scheme and in the second method, the second-order wave equations satisfying the Maxwell's equations are solved using the implicit Crank-Nicolson scheme. The governing equations are transformed to a generalized curvilinear coordinate system and solved on a body-conforming mesh using the scattered-field formulation. The induced surface current and the bistatic radar cross section are computed and the results are validated for several two-dimensional test cases involving perfectly-conducting scatterers submerged in transverse-magnetic plane waves.

Vinh, Hoang↗
NASA NTRS2003

Apparatus and Method for Measuring Strain in Optical Fibers using Rayleigh Scatter

An apparatus and method for measuring strain in an optical fiber using the spectral shift of Rayleigh scattered light. The interference pattern produced by an air gap reflector and backscattered radiation is measured. Using Fourier Transforms, the spectrum of any section of fiber can be extracted. Cross correlation with an unstrained measurement produces a correlation peak. The location of the correlation peak indicates the strain level in the selected portion of optical fiber.

Froggatt, Mark E.↗
DOE OSTI2016

In Situ Methods for Monitoring Silver Nanoparticle Sulfidation in Simulated Waters

To probe the transformation pathways of metallic nanomaterials, measurement tools capable of detecting and characterizing the broad distribution of products with limited perturbation are required. Here, we demonstrate the detection of transformation products resulting from 40 kDa PVP-coated silver nanoparticles (AgNPs) reacted in aerated, sulfide-containing water and EPA moderately hard reconstituted water standard. Using single particle inductively coupled plasma mass spectrometry, silver mass preservation in primary AgNP populations during sulfidation was observed under all reaction conditions examined. Disparate sensitivities of Ag + and AgNPs to different media were observed, limiting confidence in the measured dissolved fraction. Examination with hyphenated asymmetric flow field-flow fractionation (A4F) methods supported similar mass preservation. Using flow-cell FTIR measurements, we provide direct evidence for the preservation of PVP-coatings in the presence of Na 2 S and fulvic acid, which we attributed to the observed, unprecedented Ag preservation. Using A4F and X-ray scattering, sub 10 nm AgNP populations, which have gone nearly unstudied in environmental systems, were detected and characterized in all the pristine and transformed product distributions examined. Lastly, by distinguishing Ag + from individual AgNPs, quantification of each population becomes tractable, which is a critical measurement need for toxicity testing and predicting NP fate in engineered and natural systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Structure and morphology evolution of silica-modified pseudoboehmite aerogels during heat treatment

Silica-modified pseudoboehmite aerogels (0, 10, 20 at% of Si) were prepared by sol–gel method followed by supercritical drying. The phase transformations, changes in structure and morphology upon calcination were thoroughly investigated by advanced X-Ray diffraction (XRD) techniques and high-resolution transmission electron microscopy (HRTEM). Obtained pseudoboehmite samples had specific nanostructure: ultrathin two-dimensional (2D) crystallites were loosely packed. The silica dopant drastically enhanced the crystallite anisotropy. Thus, the aerogel with Al:Si atomic ratio of 9:1 consisted of the pseudoboehmite nanosheets with thickness of one unit cell (average dimensions of 14.0×1.2×14.5 nm). The specific nanostructure caused remarkable features of experimental XRD patterns, including anisotropic peak broadening and appearance of forbidden reflection. Direct simulation of XRD patterns with using the Debye Scattering Equation allowed the size and morphology of pseudoboehmite crystallites to be determined. The silica addition strongly delayed formation of γ-alumina and further phase transformations upon calcinaton. Thermal stability of alumina was suggested to be affected by the particle morphology inherited from the pseudoboehmite precursor. - Graphical abstract: Pseudoboehmite samples had specific nanostructure: ultrathin two-dimensional (2D) crystallites were loosely packed. - Highlights: • Silica-doped boehmites were prepared by sol–gel method with supercritical drying. • Ultrathin two-dimensional crystallites of pseudoboehmite were obtained. • Changes in structure and morphology upon calcination were studied. • Simulation of XRD patterns was performed with use of the Debye Scattering Equation. • Thermal stability of alumina depended on morphology inherited from pseudoboehmite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Heat capacity and thermodynamic functions of crystalline forms of the metal-organic framework zinc 2-methylimidazolate, Zn(MeIm) 2

Zeolitic imidazolate frameworks (ZIFs) are comprised of metal atoms connected with imidazole-like linkers, and these frameworks have potential for applications in molecular sieving, gas sequestration, and catalysis. Furthermore, these materials form true polymorphs with the same chemical composition but different topologies. In this work, we present the results of low temperature heat capacity and inelastic neutron scattering studies of the sodalite (SOD) and diamondoid ( dia ) topologies of the popular zinc 2-methylimidazolate framework, Zn(MeIm) 2 . Molar heat capacities from 1.8 K to 300 K are presented, along with theoretical fits and the values of C p,m °, Δ 0 T S m °, Δ 0 T H m °, and Φ m ° calculated from those fits. The Gibbs energy of the transformation from SOD to dia is -(4.6 ± 2.2) kJ, and this transformation is primarily enthalpically driven. The results of this study are compared with previous measurements on the zinc 2-ethylimidazolate framework, Zn(EtIm) 2 . Inelastic neutron scattering measurements confirm the presence of low energy modes and suggest that the higher heat capacity of SOD at low temperatures is due to the dynamics of the methyl groups on the methylimidazolate linkers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures?

A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid mixtures, both on ground and on-board the International Space Station. All these methods are based on the simultaneous measurement of refractive index changes at two different wavelengths. Here, we discuss and compare different techniques with the emphasis on optical beam deflection (OBD), optical digital interferometry, and thermal diffusion forced Rayleigh scattering (TDFRS). We suggest to formally split the data evaluation into a phenomenological parameterization of the measured transients and a subsequent transformation from the refractive index into the concentration space. In all experiments, the transients measured at two different detection wavelengths can be described by four amplitudes and two eigenvalues of the diffusion coefficient matrix. It turns out that these six parameters are subjected to large errors and cannot be determined reliably. Five good quantities, which can be determined with a high accuracy, are the stationary amplitudes, the initial slopes as defined in TDFRS experiments and by application of a heuristic criterion for similar curves, a certain mean diffusion coefficient. These amplitudes and slopes are directly linked to the Soret and thermodiffusion coefficients after transformation with the inverse contrast factor matrix, which is frequently ill-conditioned. Since only five out of six free parameters are reliably determined, including the single mean diffusion coefficient, the determination of the four entries of the diffusion matrix is not possible. We apply our results to new OBD measurements of the symmetric (mass fractions 0.33/0.33/0.33) ternary benchmark mixture n-dodecane/isobutylbenzene/1,2,3,4-tetrahydronaphthalene and existing literature data for the same system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Scattering Observables from Few-Body Densities and Compton Scattering on $^6$Li

The dynamics of scattering on light nuclei is numerically expensive using standard methods. Fortunately, recent developments allow one to factor the relevant quantities for a given probe into a convolution of an n -body Transition Density Amplitude (TDA) and the interaction kernel for a given probe. These TDAs depend only on the target, and not the probe; they are calculated once for each set of kinematics and can be used for different interactions.\ % in the same kinematics. The kernels depend only on the probe, and not on the target; they can be reused for different targets and different kinematics. The calculation of TDAs becomes numerically difficult for more than four nucleons, but we discuss a new solution through the use of a Similarity Renormalization Group transformation, and a subsequent back-transformation. This technique allows for extending the TDA method to heavier nuclei such as 6 Li. We present preliminary results for Compton scattering on 6 Li and compare with available data, anticipating an upcoming, more thorough study. We also discuss ongoing extensions to pion-photoproduction and other reactions on light nuclei.

Long, Alexander [George Washington University, Was↗
DOE OSTI2017

PARTICLE SCATTERING OFF OF RIGHT-HANDED DISPERSIVE WAVES

Resonant scattering of fast particles off low frequency plasma waves is a major process determining transport characteristics of energetic particles in the heliosphere and contributing to their acceleration. Usually, only Alfvén waves are considered for this process, although dispersive waves are also present throughout the heliosphere. We investigate resonant interaction of energetic electrons with dispersive, right-handed waves. For the interaction of particles and a single wave a variable transformation into the rest frame of the wave can be performed. Here, well-established analytic models derived in the framework of magnetostatic quasi-linear theory can be used as a reference to validate simulation results. However, this approach fails as soon as several dispersive waves are involved. Based on analytic solutions modeling the scattering amplitude in the magnetostatic limit, we present an approach to modify these equations for use in the plasma frame. Thereby we aim at a description of particle scattering in the presence of several waves. A particle-in-cell code is employed to study wave–particle scattering on a micro-physically correct level and to test the modified model equations. We investigate the interactions of electrons at different energies (from 1 keV to 1 MeV) and right-handed waves with various amplitudes. Differences between model and simulation arise in the case of high amplitudes or several waves. Analyzing the trajectories of single particles we find no microscopic diffusion in the case of a single plasma wave, although a broadening of the particle distribution can be observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

WE-AB-207A-02: John’s Equation Based Consistency Condition and Incomplete Projection Restoration Upon Circular Orbit CBCT

Purpose: In transmitted X-ray tomography imaging, projections are sometimes incomplete due to a variety of reasons, such as geometry inaccuracy, defective detector cells, etc. To address this issue, we have derived a direct consistency condition based on John’s Equation, and proposed a method to effectively restore incomplete projections based on this consistency condition. Methods: Through parameter substitutions, we have derived a direct consistency condition equation from John’s equation, in which the left side is only projection derivative of view and the right side is projection derivative of other geometrical parameters. Based on this consistency condition, a projection restoration method is proposed, which includes five steps: 1) Forward projecting reconstructed image and using linear interpolation to estimate the incomplete projections as the initial result; 2) Performing Fourier transform on the projections; 3) Restoring the incomplete frequency data using the consistency condition equation; 4) Performing inverse Fourier transform; 5) Repeat step 2)∼4) until our criteria is met to terminate the iteration. Results: A beam-blocking-based scatter correction case and a bad-pixel correction case were used to demonstrate the efficacy and robustness of our restoration method. The mean absolute error (MAE), signal noise ratio (SNR) and mean square error (MSE) were employed as our evaluation metrics of the reconstructed images. For the scatter correction case, the MAE is reduced from 63.3% to 71.7% with 4 iterations. Compared with the existing Patch’s method, the MAE of our method is further reduced by 8.72%. For the bad-pixel case, the SNR of the reconstructed image by our method is increased from 13.49% to 21.48%, with the MSE being decreased by 45.95%, compared with linear interpolation method. Conclusion: Our studies have demonstrated that our restoration method based on the new consistency condition could effectively restore the incomplete projections, especially for their high frequency component.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Effect of Density Irregularities on Radio Frequency Wave Propagation in Ionospheric Plasmas

Density irregularities play a vital role in determining how radio frequency (RF) waves travel through plasmas. In the Earth’s ionosphere, these density irregularities also impact radio communication. In this study, we conduct a detailed numerical analysis of RF wave propagation in small-scale ionospheric density irregularities using the advanced Petra-M code. We focus specifically on high-frequency (HF) waves, ranging from 3 to 30 MHz, which are essential for military, amateur radio operators, and emergency communications. By introducing density structures, such as equatorial plasma bubbles derived from fluid simulations, we demonstrate that HF waves can scatter in multiple directions when they encounter these irregularities. Additionally, we observe significant mode conversion, where incoming electromagnetic waves transform into electrostatic modes within the density gradient layer. This shows that smaller density irregularities can greatly weaken signals or cause complete signal loss for receivers, emphasizing the need for increased awareness and innovative solutions in radio communication transmission.

Kim, Eun-Hwa [Princeton Plasma Physics Laboratory ↗
DOE OSTI2025

Gravitational memory and Ward identities in the local detector frame

Gravitational memory, which describes the permanent shift in the strain after the passage of gravitational waves, is directly related to Weinberg’s soft graviton theorems and the Bondi-Metzner-Sachs (BMS) symmetry group of asymptotically flat space-times. In this work, we provide an equivalent description of the phenomenon in local coordinates around gravitational wave detectors, such as transverse-traceless (TT) gauge. We show that gravitational memory is encoded in large residual diffeomorphisms in this gauge, which include time-dependent anisotropic spatial rescalings, and prove their equivalence to BMS transformations when translated to TT gauge. We then derive the associated Ward identities and associated soft theorems, for both scattering amplitudes and equal-time (in-in) correlation functions, and explicitly check their validity for planar gravitational waves. Furthermore, the in-in identities are recognized as the flat-space analog of the well-known inflationary consistency relations.

General relativity↗
DOE OSTI2017

LUNUS, Version 0.1a

LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. A set of tools needed for advanced refinement of crystal structures and crystallographic charge density models. Includes tools for processing X--ray diffraction images, charge density maps, and structure factors for analysis of diffuse X-ray scattering and charge density variations in crystallography. Specific methods include: elementary algebraic operations on images and 3D lattices; fourier transform of images and 3D lattices; image processing to measure diffuse intensity; crystallographic refinement; and 3D integration of diffuse intensity.

Wall, Michael↗
DOE OSTI2022

Identifying Redox Orbitals and Defects in Lithium-Ion Cathodes with Compton Scattering and Positron Annihilation Spectroscopies: A Review

Reduction-oxidation (redox) reactions that transfer conduction electrons from the anode to the cathode are the fundamental processes responsible for generating power in Li-ion batteries. Electronic and microstructural features of the cathode material are controlled by the nature of the redox orbitals and how they respond to Li intercalation. Thus, redox orbitals play a key role in performance of the battery and its degradation with cycling. We unravel spectroscopic descriptors that can be used to gain an atomic-scale handle on the redox mechanisms underlying Li-ion batteries. Our focus is on X-ray Compton Scattering and Positron Annihilation spectroscopies and the related computational approaches for the purpose of identifying orbitals involved in electrochemical transformations in the cathode. This review provides insight into the workings of lithium-ion batteries and opens a pathway for rational design of next-generation battery materials.

Nokelainen, Johannes (ORCID:0000000328857850)↗
DOE OSTI2023

A Novel Experimental Approach to Understand the Transport of Nanodrugs

Nanoparticle-based drugs offer attractive advantages like targeted delivery to the diseased site and size and shape-controlled properties. Therefore, understanding the particulate flow of the nanodrugs is important for effective delivery, accurate prediction of required dosage, and developing efficient drug delivery platforms for nanodrugs. In this study, the transport of nanodrugs including flow velocity and deposition is investigated using three model metal oxide nanodrugs of different sizes including iron oxide, zinc oxide, and combined Cu-Zn-Fe oxide synthesized via a modified polyol approach. The hydrodynamic size, size, morphology, chemical composition, crystal phase, and surface functional groups of the water-soluble nanodrugs were characterized via dynamic light scattering, transmission electron microscopy, scanning electron microscopy-energy dispersive X-ray, X-ray diffraction, and fourier transform infrared spectroscopy, respectively. Two different biomimetic flow channels with customized surfaces are developed via 3D printing to experimentally monitor the velocity and deposition of the different nanodrugs. A diffusion dominated mechanism of flow is seen in size ranges 92 nm to 110 nm of the nanodrugs, from the experimental velocity and mass loss profiles. The flow velocity analysis also shows that the transport of nanodrugs is controlled by sedimentation processes in the larger size ranges of 110–302 nm. However, the combined overview from experimental mass loss and velocity trends indicates presence of both diffusive and sedimentation forces in the 110–302 nm size ranges. It is also discovered that the nanodrugs with higher positive surface charges are transported faster through the two test channels, which also leads to lower deposition of these nanodrugs on the walls of the flow channels. The results from this study will be valuable in realizing reliable and cost-effective in vitro experimental approaches that can support in vivo methods to predict the flow of new nanodrugs.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Measurements and Simulations of Nadir-Viewing Radar Returns from the Melting Layer at X- and W-Bands

Simulated radar signatures within the melting layer in stratiform rain, namely the radar bright band, are checked by means of comparisons with simultaneous measurements of the bright band made by the EDOP (X-band) and CRS (W-band) airborne Doppler radars during the CRYSTAL-FACE campaign in 2002. A stratified-sphere model, allowing the fractional water content to vary along the radius of the particle, is used to compute the scattering properties of individual melting snowflakes. Using the effective dielectric constants computed by the conjugate gradient-fast Fourier transform (CGFFT) numerical method for X and W bands, and expressing the fractional water content of melting particle as an exponential function in particle radius, it is found that at X band the simulated radar bright-band profiles are in an excellent agreement with the measured profiles. It is also found that the simulated W-band profiles usually resemble the shapes of the measured bright-band profiles even though persistent offsets between them are present. These offsets, however, can be explained by the attenuation caused by cloud water and water vapor at W band. This is confirmed by the comparisons of the radar profiles made in the rain regions where the un-attenuated W-band reflectivity profiles can be estimated through the X- and W band Doppler velocity measurements. The bright-band model described in this paper has the potential to be used effectively for both radar and radiometer algorithms relevant to the TRMM and GPM satellite missions.

Liao, Liang↗
DOE OSTI2017

LUNUS, Version 0.1a

LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. A set of tools needed for advanced refinement of crystal structures and crystallographic charge density models. Includes tools for processing X--ray diffraction images, charge density maps, and structure factors for analysis of diffuse X-ray scattering and charge density variations in crystallography. Specific methods include: elementary algebraic operations on images and 3D lattices; fourier transform of images and 3D lattices; image processing to measure diffuse intensity; crystallographic refinement; and 3D integration of diffuse intensity.

Wall, Michael↗
DOE OSTI2017

Temperature compensated transfer function for probability of detection (POD) in high temperature ultrasonic NDE using low temperature signals - 249

Ultrasonic piezoelectric based transducers offer the potential for in-coolant NDT measurements and imaging required at high temperature for the safe operation of advanced small modular reactors (SMRs). Current work estimates a significant 97% reduction in the probability of detection (POD) for an artificial flaw size of 2{lambda} due to degradation of the transducer performance at elevated temperature. The source of variability for POD in the current work is the temperature dependence of material matrix of piezoelectric material PZT-5A used in the sensor. The physics based model developed using finite element method quantifies reduction in the scattering amplitude for the side drilled hole (SDH) from 15 C to 195 C. Using model assisted probability of detection (MAPOD) approach, sensor temperature effect on the POD is demonstrated for SDHs in the low carbon steel specimen. Scattering amplitudes for the room temperature simulated data is validated with the experimental data. A temperature correction factor and transfer factors are reported to transform the simulated temperature effect from physics based model to the experimental data for estimation of high temperature POD using low temperature ultrasonic measurements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Effect of ethoxylation and lauryl alcohol on the self-assembly of sodium laurylsulfate: Significant structural and rheological transformation

Fatty alcohols are added to the surfactant solutions to modify foaming and lubrication properties, while the degree of ethoxylation is increased to improve mildness to the skin. However, it is envisioned that both parameters are capable of manipulating rheological and morphological properties. Therefore, an efficient control over the carbon chain length, amount of fatty alcohol and degree of ethoxylation could modify the surfactant self-assembly in an unprecedented way. The present work is focused on understanding the structural transformation, intermolecular interactions and rheological properties of the colloidal systems containing various amounts of lauryl alcohol (LA), and surfactant with varying degrees of ethoxylation. Additionally, combined small-angle neutron scattering (SANS), nuclear magnetic resonance (NMR) spectroscopy, rheological and morphological studies were performed to elucidate these properties. The results reveal that an increase in LA content increases the system viscosity ultimately forming a gel, and drives the assembly pattern of the surfactant from ellipsoidal micellar to lamellar via a vesicular and vesicular/lamellar mixed intermediates. Conversely, higher degrees of ethoxylation delay the onset of morphological transformation and gel formation. The interplay between hydrophobic and polar interactions coupled with hydrogen bonding interactions drive the overall rheological and morphological transformations. Therefore, fine-tuning residual chemicals can offer a novel tool for optimization of the product formulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗