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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A comparison of phantom scatter from flattened and flattening filter free high-energy photon beams

Flattening filter free (FFF) photon beams have different dosimetric properties from those of flattened beams. The aim of this work was to characterize the collimator scatter (S{sub c}) and total scatter (S{sub cp}) from 3 FFF beams of differing quality indices and use the resulting mathematical fits to generate phantom scatter (S{sub p}) data. The similarities and differences between S{sub p} of flattened and FFF beams are described. S{sub c} and S{sub cp} data were measured for 3 flattened and 3 FFF high-energy photon beams (Varian 6 and 10 MV and Elekta 6 MV). These data were fitted to logarithmic power law functions with 4 numerical coefficients. The agreement between our experimentally determined flattened beam S{sub p} and published data was within ± 1.2% for all 3 beams investigated and all field sizes from 4 × 4 to 40 × 40 cm{sup 2}. For the FFF beams, S{sub p} was only within 1% of the same flattened beam published data for field sizes between 6 × 6 and 14 × 14 cm{sup 2}. Outside this range, the differences were much greater, reaching − 3.2%, − 4.5%, and − 4.3% for the fields of 40 × 40 cm{sup 2} for the Varian 6-MV, Varian 10-MV, and Elekta 6-MV FFF beams, respectively. The FFF beam S{sub p} increased more slowly with increasing field size than that of the published and measured flattened beam of a similar reference field size quality index, i.e., there is less Phantom Scatter than that found with flattened beams for a given field size. This difference can be explained when the fluence profiles of the flattened and FFF beams are considered. The FFF beam has greatly reduced fluence off axis, especially as field size increases, compared with the flattened beam profile; hence, less scatter is generated in the phantom reaching the central axis.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Miniband Transport in a Two-Dimensional Electron Gas with a Strong Periodic Unidirectional Potential Modulation

In this paper, we study the Bloch oscillations of a two-dimensional electron gas with a strong periodic potential-modulation and miniband transport along the field at low temperatures, assuming a free motion in the transverse direction. The dependence of the current on the field, the electron density, and the temperature is investigated by using a relaxation-time approximation for inelastic scattering. Moreover, for a fixed total scattering rate, the field dependence of the current is sensitive to the ratio of the elastic and inelastic scattering rates in contrast with the recent result of a multiband but otherwise similar model with a weak potential modulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Electromagnetic scattering from a class of open-ended waveguide discontinuities

A relatively simple high frequency analysis of electromagnetic scattering from a class of open-ended waveguide discontinuites was developed. The waveguides are composed of perfectly-conducting sections in which the electromagnetic field can be written as the sum of waveguide modes. Junctions are formed at the open end and also within interior regions where different sections are joined. The reflection and transmission properties of each junction are described in terms of a scattering matrix which is determined by combining the modal ray picture with high frequency techniques such as the Geometrical Theory of Diffraction (GTD), the Equivalent Current Method (ECM), and modifications of the Physical Theory of Diffraction (PTD). A new set of equivalent circuits are employed in this ECM analysis which leads to a simple treatment of many types of junction discontinuities. Also, a new procedure is presented to improve the efficiency of the aperture integration at the open end which is required in the PTD procedure for finding the fields radiated from (or coupled to) the open end. Once the scattering matrices are determined, they are then combined using a self-consistent multiple scattering method to obtain the total scattered fields.

Altintas, A.↗
NASA NTRSDate not supplied

Improved Characterization of PSC Processes Derived from a Third-Generation CALIOP and MLS Detection and Composition Classification Algorithm

The new 3-year CloudSat and CALIPSO Science Team project described in this poster will use a unique combination of data from the Cloud-Aerosol LIdar with Orthogonal Polarization (CALIOP) instrument on CALIPSO and the Microwave Limb Sounder (MLS) on Aura, in conjunction with supporting meteorological information and detailed modeling studies, to advance our understanding of polar stratospheric cloud (PSC) processes and their role in ozone depletion. We will develop a third-generation (Gen3) PSC detection and composition algorithm that incorporates a new, more robust two-dimensional, multi-channel CALIOP feature detection scheme (2D-McDA). We will also devise and implement an improved two-dimensional PSC composition classification scheme that utilizes multiple parameters (e.g., CALIOP 532-nm parallel and perpendicular scattering ratios, CALIOP 1064-nm total scattering ratio, MLS HNO3 and H2O, ambient temperature, and temperature histories) in a Bayesian approach to determine the most likely PSC composition and help constrain solid PSC particle number density and size/shape. The combined CALIOP/MLS analyses will allow us to study in detail the full life cycle of PSCs and their resulting impact on gas-phase HNO3 and H2O, which should lead to improved parameterizations of PSC microphysics in global CCMs where detailed particle information is not available. The Gen3 CALIOP PSC algorithm will be a natural stepping-stone toward the analysis of data collected during future spaceborne lidar missions, such as NASA’s Atmosphere Observation System (AtmOS) mission currently scheduled for launch late in this decade. We will also investigate possible trends in PSC occurrence and composition over the entire CALIOP data record and through further comparisons with the Stratospheric Aerosol Measurement (SAM) II solar occultation PSC record from 1979-1989. Finally, we will validate the mountain-wave parameterization and PSC schemes used in the UM-UKCA (Unified Model coupled to the United Kingdom Chemistry and Aerosol module) chemistry-climate model through detailed comparisons with earlier CALIOP PSC data products and those developed under this proposal.

CALIPSO↗
NASA NTRSDate not supplied

Improved Characterization of PSC Processes Derived from a Third-Generation CALIOP and MLS Detection and Composition Classification Algorithm

The new 3-year CloudSat and CALIPSO Science Team project described in this poster will use a unique combination of data from the Cloud-Aerosol LIdar with Orthogonal Polarization (CALIOP) instrument on CALIPSO and the Microwave Limb Sounder (MLS) on Aura, in conjunction with supporting meteorological information and detailed modeling studies, to advance our understanding of polar stratospheric cloud (PSC) processes and their role in ozone depletion. We will develop a third-generation (Gen3) PSC detection and composition algorithm that incorporates a new, more robust two-dimensional, multi-channel CALIOP feature detection scheme (2D-McDA). We will also devise and implement an improved two-dimensional PSC composition classification scheme that utilizes multiple parameters (e.g., CALIOP 532-nm parallel and perpendicular scattering ratios, CALIOP 1064-nm total scattering ratio, MLS HNO3 and H2O, ambient temperature, and temperature histories) in a Bayesian approach to determine the most likely PSC composition and help constrain solid PSC particle number density and size/shape. The combined CALIOP/MLS analyses will allow us to study in detail the full life cycle of PSCs and their resulting impact on gas-phase HNO3 and H2O, which should lead to improved parameterizations of PSC microphysics in global chemistry-climate models (CCMs) where detailed particle information is not available. The Gen3 CALIOP PSC algorithm will be a natural stepping-stone toward the analysis of data collected during future spaceborne lidar missions, such as NASA’s Atmosphere Observation System (AOS) mission currently scheduled for launch late in this decade. We will also investigate possible trends in PSC occurrence and composition over the entire CALIOP data record and through further comparisons with the Stratospheric Aerosol Measurement (SAM) II solar occultation PSC record from 1979-1989. Finally, we will validate the mountain-wave parameterization and PSC schemes used in the UM-UKCA (Unified Model coupled to the United Kingdom Chemistry and Aerosol module) CCM through detailed comparisons with earlier CALIOP PSC data products and those developed under this proposal.

CALIPSO↗
DOE OSTI2025

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Determination of particle size using measurement of scatter

A literature search was conducted to determine the state of the art particle size measurement by the light scatter technique. This technique may involve diffraction pattern analysis, location of minima and maxima in angular dependence of scattered light, magnitude of intensity verses angle, forward lobe scattered intensity ratio using two small angles, forward scatter in a small cone, and total scatter. Some of the more modern recordings and detection systems are video, holographic, and systems using optical processing.

Scott, R. L., Jr.↗
NASA NTRS1989

Electromagnetic scattering by a straight thin wire

The traveling-wave energy, which multiply diffracts on a straight thin wire, is represented as a sum of terms, each with a distinct physical meaning, that can be individually examined in the time domain. Expressions for each scattering mechanism on a straight thin wire are cast in the form of four basic electromagnetic wave concepts: diffraction, attachment, launch, and reflection. Using the basic mechanisms from P. Ya. Ufimtsev (1962), each of the scattering mechanisms is included into the total scattered field for the straight thin wire. Scattering as a function of angle and frequency is then compared to the moment-method solution. These analytic expressions are then extended to a lossy wire with a simple approximate modification using the propagation velocity on the wire as derived from the Sommerfeld wave on a straight lossy wire. Both the perfectly conducting and lossy wire solutions are compared to moment-method results, and excellent agreement is found. As is common with asymptotic solutions, when the electrical length of wire is smaller than 0.2 lambda the results lose accuracy. The expressions modified to approximate the scattering for the lossy thin wire yield excellent agreement even for lossy wires where the wire radius is on the order of skin depth.

Shamansky, Harry T.↗
NASA NTRS1990

Scattering of positrons and electrons by alkali atoms

Absolute total scattering cross sections (Q sub T's) were measured for positrons and electrons colliding with sodium, potassium, and rubidium in the 1 to 102 eV range, using the same apparatus and experimental approach (a beam transmission technique) for both projectiles. The present results for positron-sodium and -rubidium collisions represent the first Q sub T measurements reported for these collision systems. Features which distinguish the present comparisons between positron- and electron-alkali atom Q sub T's from those for other atoms and molecules (room-temperature gases) which have been used as targets for positrons and electrons are the proximity of the corresponding positron- and electron-alkali atom Q sub T's over the entire energy range of overlap, with an indication of a merging or near-merging of the corresponding positron and electron Q sub T's near (and above) the relatively low energy of about 40 eV, and a general tendency for the positron-alkali atom Q sub T's to be higher than the corresponding electron values as the projectile energy is decreased below about 40 eV.

Stein, T. S.↗
DOE OSTI2017

Polyaspartic Acid Concentration Controls the Rate of Calcium Phosphate Nanorod Formation in High Concentration Systems

Polyelectrolytes are known to greatly affect calcium phosphate (CaP) mineralization. The reaction kinetics as well as the CaP phase, morphology and aggregation state depend on the relative concentrations of the polyelectrolyte and the inorganic ions in a complex, nonlinear manner. This study examines the structural evolution and kinetics of polyaspartic acid (pAsp) directed CaP mineralization at high concentrations of polyelectrolytes, calcium, and total phosphate (19–30 mg/mL pAsp, 50–100 mM Ca 2+ , Ca/P = 2). Using a novel combination of characterization techniques including cryogenic transmission electron microscopy (cryo-TEM), spectrophotometry, X-ray total scattering pair distribution function analysis, and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), it was determined that the CaP mineralization occurred over four transition steps. The steps include the formation of aggregates of pAsp stabilized CaP spherical nanoparticles (sNP), crystallization of sNP, oriented attachment of the sNP into nanorods, and further crystallization of the nanorods. The intermediate aggregate sizes and the reaction kinetics were found to be highly polymer concentration dependent while the sizes of the particles were not concentration dependent. Furthermore, this study demonstrates the complex role of pAsp in controlling the mechanism as well as the kinetics of CaP mineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Influence of Rotational Distortions on Li + - and Na + -Intercalation in Anti-NASICON Fe 2 (MoO 4 ) 3

Anti-NASICON Fe 2 (MoO 4 ) 3 (P2 1 /c) shows significant structural and electrochemical differences in the intercalation of Li + and Na + ions. To understand the origin of this behavior, we have used a combination of in situ X-ray and high-resolution neutron diffraction, total scattering, electrochemical measurements, density functional theory calculations, and symmetry-mode analysis. We find that for Li + -intercalation, which proceeds via a two-phase monoclinic-to-orthorhombic (Pbcn) phase transition, the host lattice undergoes a concerted rotation of rigid polyhedral subunits driven by strong interactions with the Li + ions, leading to an ordered lithium arrangement. Na + -intercalation, which proceeds via a two-stage solid solution insertion into the monoclinic structure, similarly produces rotations of the lattice polyhedral subunits. Furthermore, using a combination of total neutron scattering data and density functional theory calculations, we find that while these rotational distortions upon Na + -intercalation are fundamentally the same as for Li + -intercalation, they result in a far less coherent final structure, with this difference attributed to the substantial difference between the ionic radii of the two alkali metals.

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

Thermal defect annealing of swift heavy ion irradiated ThO 2

Neutron total scattering and Raman spectroscopy were used to characterize the structural recovery of irradiated polycrystalline ThO 2 (2.2 GeV Au, = 1 x 10 13 ions/cm 2 ) during isochronal annealing. Here, neutron diffraction patterns showed that the Bragg signal-to-noise ratio increases and the unit cell parameter decreases as a function of isochronal annealing temperature, with the latter reaching its pre-irradiation value by 750 °C. Diffuse neutron scattering and Raman spectroscopy measurements indicate that an isochronal annealing event occurs between 275$-$425 °C. This feature is attributed to the annihilation of oxygen point defects and small oxygen defect clusters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of atomic size mismatch and chemical complexity on the local lattice distortion of BCC solid solution alloys

Here, the effects of atomic size mismatch and chemical complexity on the local lattice distortion of solid-solution alloys VNbTa, TiVNbMo, TiVNbMoTa and TiVNbMoTaWRe with body-centered cubic (BCC) structure are quantitatively studied with time-of-flight neutron total scattering, extended X-ray absorption fine structure (EXAFS) measurements and first principles calculations. Neutron atomic pair distribution function (PDF) measurements found that the local lattice distortion in the ternary solid-solution alloy VNbTa is 1.1 %, obviously larger than that of the most complicated solid-solution alloy (0.27% for TiVNbMoTaWRe). Our results suggested that atomic size mismatch in high entropy alloys is more critical to the local lattice distortion than chemical complexity. Both EXAFS analysis and theoretical calculations indicate that there is a maximum of ~4 % difference between the bonding length of different atomic pairs in VNbTa.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Location and characterization of heterogeneous phases within Mary Rose wood

Preserving the Mary Rose oak hull for future generations is a major challenge due to the highly heterogeneous nature of waterlogged wooden artifacts, which contain polycrystalline, amorphous, and nanostructured materials that test traditional characterization methods. Effective conservation requires detailed knowledge of the distribution and chemical nature of these species to develop strategies for preventing multiple chemo-mechanical degradation pathways. Here, we apply synchrotron-based computed tomography total scattering methods to the Mary Rose keelson wood that provides valuable position-resolved structural information on multiple embedded species of different length and concentration scales. We identify 5 nm zinc sulfide nanoparticles in the wood, presumably deposits from bacteria operating on the sulfur energy cycle under the anaerobic conditions on the seabed. These are identified as precursors to acid attack on the wood upon removal to an aerobic environment. These insights inform not only next-generation conservation strategies, but also the efficacy and unforeseen issues of previous treatments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Structural Templation of MOF-Derived Zirconia Nanoparticles

Templated synthesis is an important avenue for the development and synthesis of porous materials, as it provides a high level of control over the resulting structure. However, this control is difficult to achieve at the atomic level for poorly crystalline or noncrystalline materials, such as metal–organic framework (MOF)-derived carbons. We report the carbonization of three zirconium-based MOFs with different framework and inorganic building unit structures to form zirconia nanoparticles in a carbon matrix. Using a combination of X-ray diffraction, X-ray total scattering, and transmission electron microscopy, we found that the extended Zr-oxo chains of MIL-140C-bpy facilitate the formation of larger and more ordered zirconia nanoparticles. In contrast, the discrete Zr 6 -oxo clusters of UiO-67-bpy and Zr-ABTC result in smaller and differently structured nanoparticles.

metal-organic framework↗
DOE OSTI2023

Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material

Cation-disordered rock-salt (DRX) materials receive intensive attention as a new class of cathode candidates for high-capacity lithium-ion batteries (LIBs). Unlike traditional layered cathode materials, DRX materials have a three-dimensional (3D) percolation network for Li + transportation. The disordered structure poses a grand challenge to a thorough understanding of the percolation network due to its multiscale complexity. In this work, we introduce the large supercell modeling for DRX material Li 1.16 Ti 0.37 Ni 0.37 Nb 0.10 O 2 (LTNNO) via the reverse Monte Carlo (RMC) method combined with neutron total scattering. Here, through a quantitative statistical analysis of the material’s local atomic environment, we experimentally verified the existence of short-range ordering (SRO) and uncovered an element-dependent behavior of transition metal (TM) site distortion. A displacement from the original octahedral site for Ti 4+ cations is pervasive throughout the DRX lattice. Density functional theory (DFT) calculations revealed that site distortions quantified by the centroid offsets could alter the migration barrier for Li + diffusion through the tetrahedral channels, which can expand the previously proposed theoretical percolating network of Li. The estimated accessible Li content is highly consistent with the observed charging capacity. The newly developed characterization method here uncovers the expandable nature of the Li percolation network in DRX materials, which may provide valuable guidelines for the design of superior DRX materials.

25 ENERGY STORAGE↗
DOE OSTI2025

Probing the local structure of Bi 2 O 3 chemical derivatives: the neglected cation sublattice

High-resolution synchrotron X-ray diffraction data confirm the stabilization of the average structure at ambient temperatures as a defect fluorite structure in ternary and quaternary oxides of Bi 2 O 3 , where some Bi cations are replaced with Dy 3+ and/or Er 3+ , Nb 5+ and W 6+ . Rietveld refinement of the diffraction data indicates that when the larger cation Er 3+ (0.89 Å) is replaced with smaller cations W 6+ (0.42 Å) and/or Nb 5+ (0.48 Å), the unit-cell parameter a, based on the relative ionic radii of the substituents, counterintuitively increases. Total scattering data show that the identity of the cation substituent is important in determining the positions of some Bi cations in the defect fluorite structure. Er 3+ and Dy 3+ cations induce monoclinic-like distortions that extend only locally in the Bi 3+ sublattice. X-ray absorption spectroscopy provides evidence that some Dy cations, in the δ phases, prefer to keep a similar local environment to that in the parent Dy 2 O 3 . W cations are found to be predominantly tetrahedrally coordinated in the δ phases explored in this work.

36 MATERIALS SCIENCE↗