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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling Surface-Enhanced Raman Scattering of Au-Pyrazine and Au-Pyrazine-Au Nanorod Dimer Systems with the TD-DFTB Method

This study investigates Raman scattering from a pyrazine molecule adsorbed on gold nanorod surfaces using the time-dependent density functional tight-binding (TD-DFTB) method. We analyze surface enhanced Raman scattering (SERS) of the molecule for two configurations: one where the molecule is adsorbed on a single gold nanorod forming Au-pyrazine complex, and another where it forms a nano-junction Au-pyrazine-Au dimer system. These two configurations offer distinct chemical environments for the molecule and different local field enhancements, with the dimer systems generating enhanced hotspot regions at the junctions. We present results for nanojunction, Au-pyrazine-Au dimer structures, for variable nanogap sizes that lead to shift in the plasmon energy. The study identifies contributions to the SERS enhancements from chemical, electromagnetic, and resonance charge transfer mechanisms. Our results show that the chemical mechanism provides enhancement factors in the range of 10 2 –10 3 , while the electromagnetic enhancements are on the order of 10 3 –10 5 for monomer systems and 10 6 –10 8 for dimer structures. We present results for a nanorod with a length of 5.3 nm and a width of 0.52 nm, consisting of 121 gold atoms.

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

Induced Chirality in QDs Using Thermoresponsive Elastin-like Polypeptides

Circular dichroism (CD) spectroscopy has emerged as a potent tool for probing chiral small-molecule ligand exchange on natively achiral quantum dots (QDs). In this study, we report a novel approach to identifying QD–biomolecule interactions by inducing chirality in CdS QDs using thermoresponsive elastin-like polypeptides (ELPs) engineered with C-terminal cysteine residues. Our method is based on a versatile two-step ligand exchange process starting from monodisperse oleate-capped QDs in nonpolar media and proceeding through an easily accessed achiral glycine-capped QD intermediate. Successful conjugation of the ELPs onto the QDs is confirmed by the diagnostic CD response corresponding to the QD electronic transitions in the visible range. The resulting ELP:CdS conjugates demonstrate thermally reversible coacervation, as observed through dynamic light scattering, small-angle X-ray scattering, and electron microscopy. Furthermore, this research provides a foundation for using induced chirality in QD electronic transitions to probe QD conjugation to complex peptides and proteins, opening pathways for designing dynamic, stimuli-responsive hybrid nanomaterials.

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

Orbital inversion and emergent lattice dynamics in infinite layer CaCoO 2

The layered cobaltate CaCoO 2 exhibits a unique herringbone-like structure. Serving as a potential prototype for a new class of complex lattice patterns, we study the properties of CaCoO 2 using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). Our results reveal a significant inter-plane hybridization between the Ca 4s- and Co 3d- orbitals, leading to an inversion of the textbook orbital occupation of a square planar geometry. Further, our RIXS data reveal a strong low energy mode, with anomalous intensity modulations as a function of momentum transfer close to a quasi-static response. These findings indicate that the newly discovered herringbone structure exhibited in CaCoO 2 may serve as a promising laboratory for the design of materials having strong electronic, orbital and lattice correlations.

Electronic properties and materials↗
DOE OSTI2026

Complexity in the medium-range order of gallium as a polyvalent liquid metal

Simplicity in chemical composition does not always translate into simplicity in the structures and dynamics of liquids and solids. Some elementary liquid metals, such as gallium, show unusual behaviors in thermodynamic and transport properties as a result of their complex atomic structure and dynamics. Here, in this work, we study the real-space atomic correlation function of liquid gallium by neutron scattering. In the pair-distribution function, there exist two kinds of medium-range order (MRO), characterized by oscillations beyond the first nearest neighbors. On the other hand, the first neighbor shell shows only one kind of bond. The two types of MRO are strongly overlapping in space and fluctuating in time. We propose that they are the basis for anomalous behavior of liquid gallium. This view challenges the current view that liquid gallium consists of fluctuating metallic and insulating domains. These findings shed light on the interpretation of similar microscopic anomalies observed in other semimetallic liquids.

Hua, Chengyun [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2024

Reconstructing Richtmyer–Meshkov instabilities from noisy radiographs using low dimensional features and attention-based neural networks

We develop an ML-based approach for density reconstruction based on transformer neural networks. This approach is demonstrated in the setting of ICF-like double shell hydrodynamic simulations wherein the parameters related to material properties and initial conditions are varied. The new method can robustly recover the complex topologies given by the Richtmyer-Meshkoff instability (RMI) from a sequence of hydrodynamic features derived from radiographic images corrupted with blur, scatter, and noise. A noise model is developed to characterize errors in extracting features from synthetic radiographs of the simulated density field. The key component of the network is a transformer encoder that acts on a sequence of features extracted from noisy radiographs. This encoder includes numerous self-attention layers that act to learn temporal dependencies in the input sequences and increase the expressiveness of the model. This approach is shown to exhibit an excellent ability to accurately recover the RMI growth rates, despite the gas-metal interface being greatly obscured by radiographic noise. Our approach can be applied in a broad array of fields involving shock physics and material science.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

A Solid Polarized Target Development Facility at Jefferson Lab

Solid polarized targets are a crucial tool used in scattering experiments to investigate different properties of the nucleon. The equipment used to produce, measure, and maintain conditions for the polarized material is complex in comparison to nonpolarized targets. This, in combination with the frequency of polarized experiments run at Jefferson Lab, limits the opportunity to refine and build upon experience gained from previously constructed targets. To address this, the Jefferson Lab Target Group has begun the construction of a permanent facility dedicated to creating and testing material for Dynamic Nuclear Polarization. The design elements and manufacture of the test cryostat along with the incorporation of other DNP associated equipment will be presented.

Brock, James [Thomas Jefferson National Accelerato↗
NASA NTRS1986

On the polarization of Alpha Orionis

Much of the complex behavior of the polarization observed in the M2 supergiant Alpha Ori can be explained in terms of the combined effects of Rayleigh scattering in the photosphere and scattering by circumstellar dust in the presence of one or more photospheric hot spots. The ad hoc scattering layer of electrons which Schwarz and Clarke employed in their models reported in 1984 can be avoided, eliminating the conflict with the much lower column densities found in other studies of the extended chromosphere of this star. The transfer of polarized continuum radiation in cool model atmospheres has been treated fully. Under conditions of optimal spot area and location on the disk and large temperature differences (up to 1000 K) between the spot and normal photosphere, it is possible to get a net polarization up to about 0.3 percent in the blue in the direct starlight. The effects of spot limb darkening on the polarization of scattered spot light have been evaluated. Narrow-band observations that include molecular bands are encouraged for their diagnostic value.

Doherty, L. R.↗
NASA NTRS1989

Scatter from optical components; Proceedings of the Meeting, San Diego, CA, Aug. 8-10, 1989

Various papers on scatter from optical components are presented. Individual topics addressed include: BRDF of SiC and Al foam compared to black paint at 3.39 microns, characterization of optical baffle materials, bidirectional transmittance distribution function of several IR materials at 3.39 microns, thermal cycling effects on the BRDF of beryllium mirrors, BTDV of ZnSe with multilayer coatings at 3.39 microns, scattering from contaminated surfaces, cleanliness correlation by BRDF and PFO instruments, contamination effects on optical surfaces, means of eliminating the effects of particulate contamination on scatter measurements of superfine optical surfaces, vacuum BRDF measurement of cryogenic optical surfaces, Monte Carlo simulation of contaminant transport to and deposition on complex spacecraft surfaces, surface particle observation and BRDF predictions, satellite material contaminant optical properties, dark field photographic techniques for documenting optical surface contamination, design of a laboratory study of contaminant film darkening in space, contamination monitoring approaches for EUV space optics.

Stover, John C.↗
NASA NTRS1995

GHRS observations of cool, low-gravity star. 2: Flow and turbulent velocities in the outer atmosphere of gamma CRU CIS (M3.4 III)

The Goddard High Resoulution Spectrograph (GHRS) on the Hubble Space Telescope (HST) has been used to obtain medium (R = 20,000) and high (R = 85,000) resoultion UV spectra of chromosphere emission features for the M3.4 III star gamma Cru. Small Science Aperture (SSA) G270M and Echelle-B spectra of selected regions in the 2300-2850 A range were obtained to determine the kinematics of the chromosphere using lines of C2), Fe2, Co2, Si1/2), Ni2, Mn2, and Mg2. Profiles of C2) (UV 0.01) lines and fluorescently excited lines of low optical depth indicate average turbulent velocities (Doppler FWHM) of 30.2 +/- 1.3 and 28.8 +/- 1.3 km/s, respectively. The fluorescent emission lines (mean RV = 21.3 +/- 0.9 km/s) and the wings of the emission components of Fe2 lines (mean RV = 22.8 +/- 0.4 km/s) are approximately at rest relative to the radial velocity of the star (21 km/s), while the C2) lines show a modest inflow (mean RV = 23.1 +/- 0.9 km/s). The more opaque lines of Fe2 and Mg2 exhibit complex profiles resulting from line formation in an optically thick, extended expanding atmosphere. The emission wings of these lines are broadened by multiple scattering, and they are centered near the photospheric radial velocity. Closer to line center, these strong lines show a strong blueshifted self-absorption feature (already seen in IUE data), indicative of formation in an expanding chromosphere, and a previously unseen dip in the profiles on the red side of line center. The absorption components, when extracted using simple Gaussian fits, show strong correlations with the relative optical depths of the lines. The derived absorption flow velocities converge to the photospheric velocity as one examines spectra features formed deeper in the atmosphere. The blueward abosrption velocity increases in magnitude from about 7 to 14 km/s with increasing line optical depth - the strong absorptions directly map the acceleration of the outflowing stellar wind, while the interpretation of the weaker redshifted abosrptions is more ambiguous, indicating either an inflow of material or formation in an extended, spherically expanding outflow. The Mg2 and Fe2 profiles, taken together, imply that the wind speed decreases between the atmospheric layers where the Mg2 and Fe2 self-absorption components are formed. Interstellar absorptions are seen in the resonance lines of Mg2 (UV 1) and Fe2 (UV1) with zero-volt lower levels, at about -3 km/s, consistent with models of the interstellar medium in the direction of gamma Cru. Finally, we have detected the Mg2 'satellite lines' seen in solar spectra obtained above the limb. In gamma Cru these lines are probably fluorescently excited by H Ly beta.

Carpenter, Kenneth G.↗
NASA NTRS1999

Cloud 3D Effects Evidenced in Landsat Power Spectra and Autocorrelation Functions

An analysis of nadir reflectivity Fourier spatial power spectra and autocorrelation functions at solar wavelengths and for cloudy conditions has been carried out. The data come from Landsat Thematic Mapper (TM) observations, while Monte Carlo (MC) simulations are used to aid the interpretation of the Landsat results. We show that radiative processes produce consistent signatures on power spectra and autocorrelation functions. The former take a variety of forms not shown or explained in previous observational studies. We demonstrate that the TM spectra can potentially be affected by both radiative "roughening" at intermediate scales (approx. 1 -5 km), being more prevalent at large solar zenith angles, and the already documented radiative "smoothing" at small scales (less than 1 km). These processes are wavelength dependent, as shown by systematic differences between conservative (for cloud droplets) TM band 4 (approx. 0.8 microns) and absorbing band 7 (approx. 2.2 microns): band 7 exhibits more roughening and less smoothing. This is confirmed quantitatively by comparing least-squared fitted power spectral slopes for the two bands. It is also corroborated by a slower decrease with distance of autocorrelation function values for band 4 compared to band 7. The appearance of roughening at large solar zenith angles is a result of side illumination and shadowing and adds an additional complexity to the power spectra. MC spectra are useful in illustrating that scale invariant optical depth fields can produce complex power spectra that take a variety of shapes under different conditions. We show that radiative roughening increases with the decrease of single scattering albedo and with the increase of solar zenith angle (as in the observations). For high Sun there is also a clear shift of the radiative smoothing scale to smaller values as droplet absorption increases. The shape of the power spectrum is sensitive to the magnitude and type of cloud top height variability, with the spectral signatures of decorrelation between reflectance and optical depth at large scales becoming stronger as the magnitude of cloud top variations increase. Finally, the usefulness of power spectral analysis in evaluating the skill of novel optical depth retrieval techniques in removing 3D radiative effects is demonstrated. New techniques using inverse Non-local Independent Pixel Approximation (NIPA) and Normalized Difference of Nadir Reflectivity (NDNR) yield optical depth fields which better match the scale-by-scale variability of the true optical depth field.

Oreopoulos, Lazaros↗
NASA NTRS2018

An Empirical Model of Radiation Belt Electron Pitch Angle Distributions Based On Van Allen Probes Measurements

Based on over 4 years of Van Allen Probes measurements, an empirical model of radiation belt electron equatorial pitch angle distribution (PAD) is constructed. The model, developed by fitting electron PADs with Legendre polynomials, provides the statistical PADs as a function of L-shell (L = 1-6), magnetic local time, electron energy (~30 keV to 5.2 MeV), and geomagnetic activity (represented by the Dst index) and is also the first empirical PAD model in the inner belt and slot region. For megaelectron volt electrons, model results show more significant day-night PAD asymmetry of electrons with higher energies and during disturbed times, which is caused by geomagnetic field configuration and flux radial gradient changes. Steeper PADs with higher fluxes around 90° pitch angle and lower fluxes at lower pitch angles for higher energy electrons and during active times are also present, which could be due to electromagnetic ion cyclotron wave scattering. For hundreds of kiloelectron volt electrons, cap PADs are generally present in the slot region during quiet times and their energy-dependent features are consistent with hiss wave scattering, while during active times, cap PADs are less significant especially at outer part of slot region, which could be due to the complex energizing and transport processes. The 90°-minimum PADs are persistently present in the inner belt and appear in the slot region during active times, and minima at 90° pitch angle are more significant for electrons with higher energies, which could be a critical evidence in identifying the underlying physical processes responsible for the formation of 90°-minimum PADs.

Zhao, H.↗
NASA NTRS2019

Lyman-Alpha Imaging Polarimetry with the CLASP2 Sounding Rocket Mission

Ultraviolet polarimetry offers a unique opportunity to explore the upper solar chromosphere and the transition region (TR) to the million-degree corona. These outer atmospheric regions play a key role in the transfer of mass and energy from the solar photosphere to the corona. With a sounding rocket experiment called the Chromospheric Lyman-Alpha Spectro-Polarimeter (CLASP), in September 2015 we succeeded in obtaining the first measurement of the linear polarization produced by scattering processes in the hydrogen Lyman-alpha line of the solar disk radiation. The analysis and interpretation of such spectro-polarimetric observation allowed us to obtain information on the geometrical complexity of the corrugated surface that delineates the TR, as well as on the magnetic field strength via the Hanle effect. At the same time, the CLASP slit-jaw (SJ) optics system, which is a Lyman-alpha filter imager characterized by a FWHM (Full Width Half Maximum) equals 7 nanometers, allowed us to obtain broad-band Stokes-I and Q/I images over a large field of view. The obtained broad-band Q/I images are dominated by the scattering polarization signals of the Lyman-alpha wings, and not by the much weaker line-center signals where the Hanle effect operates. On April 11, 2019, we performed another sounding rocket experiment, called the Chromospheric LAyer Spectro-Polarimeter (CLASP2). We used the same instrument after significant modifications in order to obtain spectro-polarimetric observations of a plage and a quiet region in the Mg II h & k lines. At the same time, the CLASP2 SJ optics system allowed us to obtain broad-band Q/I and U/I images around the Lyman-alpha wavelength, in addition to the well- known SJ intensity images.

Kano, Ryouhei↗
NASA NTRSDate not supplied

Preparations for Laser Rayleigh Scattering Flow Visualization of Inert Ethane Plumes in PSI Environments at the NASA Langley 60-ft Vacuum Sphere

Understanding of the interaction between the plume and the regolith during powered descent are critical for reliable landings and to avoid damaging the vehicle or nearby infrastructure. To further study this complex flowfield, preparations are underway to describe the interrogation of an impinging ethane plume in lunar-relevant conditions within the 60-ft vacuum sphere at LaRC using Rayleigh diagnostics.

Flow Visualization↗
NASA NTRSDate not supplied

Look-up Table for Lidar and Polarimeter Liquid Water Cloud Studies

- Combined lidar and polarimeter retrievals of aerosol, cloud and ocean microphysical properties involve single scattering cloud calculations that are time consuming. - We create a look-up table to speed up calculations for water droplets in the atmosphere. The gained increase in computational efficiency is up to 10^(4). - In our new Lorenz-Mie look-up table we tabulate the light scattering by an ensemble of homogeneous isotropic spheres at wavelengths starting from 0.35 µm. - The look-up table covers liquid water cloud particles with radii in the range of 0.001—500 µm. - The covered complex refractive indices range from 1.25 to 1.36 for the real part and from 0 to 0.001 for the imaginary part. - Using look-up table, we can precisely compute inherent optical properties for the particle size distributions ranging up to 100 µm for the effective radius and up to 0.6 for the effective variance. - We test wavelengths from 0.35 to 2.3 µm and find that the P12 element of the normalized scattering matrix is precise to within 1% for 96.7% of cases; the absorption and backscatter coefficients, and lidar ratio are precise to within 1% for 99% of cases; the P11 , P33 and P34 elements of the normalized scattering matrix, the asymmetry parameter, the extinction and scattering coefficients are precise to within 1% for all cases. - We provide an example of using the look-up table with in situ measurements to determine agreement with remote sensing. - The look-up table along with examples of its use soon will be freely available at https://science.larc.nasa.gov/polarimetry

Eduard Chemyakin↗
DOE OSTI2025

Extrusion‐Based Printing of Nanostructured Fatty Acid Gels Incorporated in Hydrogels

Soft materials with unique nanostructures such as lamellar, hexagonal, and cubic morphologies can replicate complex structures that have potential in various fields, including biomedical and industrial applications. However, a key challenge in advancing the broader applications of 3D printing for these nanostructured soft materials is insufficient mechanical properties that hinder their printability and compromise structural stability in the final product. In this study, the suitability of a fatty acid‐based lamellar gel is evaluated for direct extrusion‐based 3D printing. Here, the lamellar gel with varying water content is integrated with a photocurable hydrogel to preserve the shape and stability of the final prints. Complex 2D and 3D design patterns are used to assess extrusion behavior, structural stability, and print precision under varying pressures. Small‐angle X‐ray Scattering (SAXS) measurements reveal the formation of lamellar nanostructures and confirm their retention after photocuring in various gels. Rheological analysis confirms that these gels exhibit key properties suitable for extrusion‐based 3D printing, such as shear‐thinning behavior. Additionally, tensile testing is conducted to evaluate the mechanical properties across cured print samples. This study underscores the potential of nanostructured gels as a robust and versatile platform, facilitating the development of materials engineered for various applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Unitarity-Limit Expansion for Two Nucleons with Perturbative Pions: Digest and Ideas

Theorists love nontrivial fixed points. In the Unitarity Limit, the NN 𝑆-wave binding energies are zero, the scattering lengths infinite, Physics is universal, i.e. insensitive to details of the interactions, and observables display richer symmetries, namely invariance under both scaling and Wigner’s combined SU(4) transformation of spin and isospin. In “Pionless” EFT, both are explicitly but weakly broken and hence perturbative in the Unitarity Window (phase shifts 45° ≲ δ(k) ≲ 135°, i.e. momenta k≈mπ). This Unitarity Expansion provides strong hints that Nuclear Physics resides indeed in a sweet spot: bound weakly enough to be insensitive to the details of the nuclear interaction; and therefore interacting strongly enough that the NN scattering lengths are perturbatively close to the Unitarity Limit. In this paradigm change, NN details are less important than NNN interactions to explain the complexity and patterns of the nuclear chart. This presentation is a digest of the first quantitative exploration of corrections to this picture when pions are included [1] (see there for a more comprehensive list of references). Since the pion mass and decay constant introduce dimensionful scales in the NN system, they explicitly break the symmetries of the Unitarity fixed point. In χEFT, these symmetries must therefore be hidden and instead be classified as emergent.

Griesshammer, Harald W. [The George Washington Uni↗
NASA NTRS1975

Ultraviolet complex refractive index of Martian dust Laboratory measurements of terrestrial analogs

The optical complex index of refraction of four candidate Martian surface materials has been determined between 0.185 and 0.4 microns using a modified Kubelka-Munk scattering theory. The cadidate materials were limonite, andesite, montmorillonite, and basalt. The effect of scattering has been removed from the results. Also presented are diffuse reflection and transmission data on these samples.

Egan, W. G.↗
NASA NTRS1997

Vertical Transport Processes for Inert and Scavenged Species: TRACE-A Measurements

The TRACE-A mission of the NASA DC-8 aircraft made a large-scale survey of the tropical and subtropical atmosphere in September and October of 1992. Both In-situ measurements of CO (G. Sachsen NASA Langley) and aerosol size (J. Browell group, NASA Langley) provide excellent data sets with which to constrain vertical transport by planetary boundary layer mixing and deep-cloud cumulus convection. Lidar profiles of aerosol-induced scattering and ozone (also by Bremen) are somewhat require more subtle interpretation as tracers, but the vertical information on layering largely compensates for these complexities. The reason this DC-8 dataset is so useful is that very large areas of biomass burning over Africa and South America provide surface sources of appropriate sizes with which to characterize vertical and horizontal motions; the major limitation of our source description is that biomass burning patterns move considerably every few days, and daily burning inventories are a matter of concurrent, intensive research. We use the Penn State / NCAR MM5 model in an assimilation mode on the synoptic and intercontinental scale, and assess the success it shows in vertical transport descriptions. We find that the general level of emissions suggested by the climatological approach (Will. Has, U. of Montana) appears to be approximately correct, possibly a bit low, for this October, 1992, time period. Vertical transport in planetary boundary layer mixing to 5.5 kin was observed and reproduced in our simulations. Furthermore we find evidence that Blackader "transilient" or matrix-transport scheme is needed, but may require some adaptation in our tracer model: CO seems to exhibit very high values at the top of the planetary boundary layer, a process that stretches the eddy-diffusion parameterization. We will report on progress in improving the deep convective transport of carbon monoxide: the Grail scheme as we used it at 100 kin resolution did not transport enough material to the upper troposphere. We expect to be able to attribute this to either parameterization reasons (inadequacy of this parameterization at the large 100km scale) or other reasons. Nevertheless, the qualitative nature of deep transport by clouds shows up well in the simulations. As for scavengable species, the simulations predict tens of micrograms per standard cubic meter of smoke aerosol in the boundary layer. In a straightforward illustration of our simple bulk-mass scavenging parameterization, to one or two micrograms per standard cubic meter of smoke aerosol in the free troposphere just above the source regions: very high concentrations for the free troposphere. We expect to report on comparisons of these predictions to a variety of observations.

Chatfield, Robert B.↗