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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Image of Fomalhaut Dust Ring at 350 Microns: The Relative Column Density Map Shows Pericenter-Apocenter Asymmetry

We have imaged the circumstellar disk of Fomalhaut at 350 mm wavelength, using SHARC II (Submillimeter High Angular Resolution Camera II) at the Caltech Submillimeter Observatory. The spatial resolution of the raw images (9") has been enhanced by a factor of 3 using the HiRes deconvolution procedure. We find that at this wavelength and signal-to-noise ratio (approx.12), the observed morphology is that of a simple inclined ring (i approx. 70 deg), with little or no other apparent structure--this is the first observation that shows clearly the ring morphology of the disk. We have combined our 350 mm data with Spitzer Space Telescope images at 24, 70, and 160 mm in order to estimate the two-dimensional spatial variation of relative column density ("tau map") using our DISKFIT procedure. The tau map is based on the following physical assumptions: (1) the wavelength variation of opacity is the same throughout the disk, (2) the radial variation of dust temperature is dictated by the energy balance of individual grains in the stellar radiation field, and (3) the vertical scale height of the disk follows a power-law radial variation. The results confirm the ringlike morphology but also show that the geometric center is displaced from the star by about 8 AU and that the ring has an apocentric enhancement of approximately 14% in integrated column density. If we interpret the displacement in terms of elliptical orbital motion due to gravitational perturbation by an unseen planet, then the implied forced eccentricity is ~0.06; dynamical modeling then predicts an apocentric density enhancement consistent with that inferred from the tau map.

Fomalhaut↗
DOE OSTI2022

The Solvation of the E. coli CheY Phosphorylation Site Mapped by XFMS

The Escherichia coli CheY protein belongs to a large bacterial response regulator superfamily. X-ray hydroxy radical foot-printing with mass spectroscopy (XFMS) has shown that allosteric activation of CheY by its motor target triggers a concerted internalization of aromatic sidechains. We reanalyzed the XFMS data to compare polar versus non-polar CheY residue positions. The polar residues around and including the 57D phosphorylated site had an elevated hydroxy radical reactivity. Bioinformatic measures revealed that a water-mediated hydrogen bond network connected this ring of residues with the central 57D. These residues solvated 57D to energetically stabilize the apo-CheY fold. The abundance of these reactive residues was reduced upon activation. This result was supported by the bioinformatics and consistent with the previously reported activation-induced increase in core hydrophobicity. It further illustrated XFMS detection of structural waters. Direct contacts between the ring residues and the phosphorylation site would stabilize the aspartyl phosphate. In addition, we report that the ring residue, 18R, is a constant central node in the 57D solvation network and that 18R non-polar substitutions determine CheY diversity as assessed by its evolutionary trace in bacteria with well-studied chemotaxis. These results showcase the importance of structured water dynamics for phosphorylation-mediated signal transduction.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2019

Outstanding Natural Occurrence of TiO2-II at the Chicxulub Crater - Anatomy of A Shock-Produced High-Pressure Polymorph

Scientific drilling of the end-Cretaceous, approximately 180 kilometers-diameter Chicxulub crater (Yucatan Peninsula, Mexico) during IODP–ICDP (Integrated Ocean Drilling Program - International Continental Scientific Drilling Program) Expedition 364 has provided new insights into the formation, shock metamorphism, structural evolution, and thermal history of peak rings in large complex impact craters. An outstanding feature in uplifted granitoid rocks of the Chicxulub peak ring is the preservation of TiO2-II, an orthorhombic high-pressure polymorph of TiO2 with an alpha-PbO2 structure, produced during the impact from rutile and/or anatase at shock pressures of approximately 12.5-17.5 gigapascals. Unlike other mostly micro- and cryptocrystalline occurrences of TiO2-II at terrestrial impact sites, ejecta deposits, and in rare ultra-high pressure metamorphic rocks, TiO2-II at Chicxulub occurs as abundant euhedral crystals greater than or equal to 70 microns in size within aggregates of altered magmatic titanite. This mode of occurrence provides an excellent opportunity to investigate the crystallography and transformation kinetics of the shock-produced high-pressure polymorph using scanning electron microscopic, micro-Raman, electron backscatter diffraction (EBSD), focused ion beam (FIB), as well as transmission-EBSD and transmission electron microscopic (TEM) techniques. Here we present refined microstructural and new crystallographic results for TiO2-II at the Chicxulub crater.

Schmieder, Martin↗
DOE OSTI2025

Fused-ring isomerism modulates molecular packing and device performance in non-halogenated organic solar cells

Subtle changes in molecular backbone geometry impact intermolecular interactions and performance of organic solar cells. Here, three isomeric small-molecule acceptors (NaO1, NaO2, and NaO3) are investigated to reveal how different fused-ring configurations control molecular packing, electronic coupling, and film formation. Structural and spectroscopic analyses show that the linearly fused NaO1 forms a compact three-dimensional packing network with large and balanced electronic couplings (>24 meV) across multiple directions, while the more curved analogues exhibit excessive crystallization and phase segregation. In-situ optical measurements demonstrate that NaO1 promotes fast and continuous structural evolution during film formation, resulting in smooth morphology and homogeneous phase distribution. These structural and dynamic advantages facilitate efficient charge generation and transport, accompanied by reduced non-radiative energy loss, ultimately achieving an efficiency of 20.07% for non-halogenated ternary devices. Our findings highlight how fused-ring isomerism decisively governs structure–packing–performance relationships in organic solar cells.

36 MATERIALS SCIENCE↗
NASA NTRS2014

The Vibration Ring

The vibration ring was conceived as a driveline damping device to prevent structure-borne noise in machines. It has the appearance of a metal ring, and can be installed between any two driveline components like an ordinary mechanical spacer. Damping is achieved using a ring-shaped piezoelectric stack that is poled in the axial direction and connected to an electrical shunt circuit. Surrounding the stack is a metal structure, called the compression cage, which squeezes the stack along its poled axis when excited by radial driveline forces. The stack in turn generates electrical energy, which is either dissipated or harvested using the shunt circuit. Removing energy from the system creates a net damping effect. The vibration ring is much stiffer than traditional damping devices, which allows it to be used in a driveline without disrupting normal operation. In phase 1 of this NASA Seedling Fund project, a combination of design and analysis was used to examine the feasibility of this concept. Several designs were evaluated using solid modeling, finite element analysis, and by creating prototype hardware. Then an analytical model representing the coupled electromechanical response was formulated in closed form. The model was exercised parametrically to examine the stiffness and loss factor spectra of the vibration ring, as well as simulate its damping effect in the context of a simplified driveline model. The results of this work showed that this is a viable mechanism for driveline damping, and provided several lessons for continued development.

Asnani, Vivake M.↗
NASA NTRS1988

Numerical simulations of an isolated microburst. I - Dynamics and structure

Isolated and stationary microbursts are simulated using a time-dependent, high-resolution, axisymmetric numerical model. A microburst downdraft is initiated by specifying a distribution of precipitation at the top boundary of the model and allowing it to fall into the domain. Two case studies of a hazardous wet (high reflectivity) microburst are presented. The initial and boundary specifications, evolution, microphysics, ring vortex, burst front, vorticity, and structure of the microbursts are discussed.

Proctor, Fred H.↗
NASA NTRS2016

Polarimetry and Flux Distribution in the Debris Disk Around HD 32297

We present high-contrast angular differential imaging (ADI) observations of the debris disk around HD32297 in H-band, as well as the first polarimetric images for this system in polarized differential imaging (PDI) mode with Subaru/HICIAO. In ADI, we detect the nearly edge-on disk at > or = 5(sigma) levels from approx. 0.45" to approx.1.7" (50-192AU) from the star and recover the spine deviation from the midplane already found in previous works. We also find for the first time imaging and surface brightness (SB) indications for the presence of a gapped structure on both sides of the disk at distances of approx. 0.75" (NE side) and approx. 0.65" (SW side). Global forward-modeling work delivers a best-fit model disk and well-fitting parameter intervals that essentially match previous results, with high-forward scattering grains and a ring located at 110AU. However, this single ring model cannot account for the gapped structure seen in our SB profiles. We create simple double ring models and achieve a satisfactory fit with two rings located at 60 and 95AU, respectively, low-forward scattering grains and very sharp inner slopes. In polarized light we retrieve the disk extending from approx. 0.25-1.6", although the central region is quite noisy and high S/N are only found in the range approx. 0.75-1.2". The disk is polarized in the azimuthal direction, as expected, and the departure from the midplane is also clearly observed. Evidence for a gapped scenario is not found in the PDI data. We obtain a linear polarization degree of the grains that increases from approx. 10% at 0.55" to approx. 25% at 1.6". The maximum is found at scattering angles of 90, either from the main components of the disk or from dust grains blown out to larger radii.

high-contrast angular differential imaging (ADI)↗
NASA NTRS1983

Planetary ring systems

It is pointed out that in the last several years planetary ring studies have evolved from observations of a single example, related to Saturn, to studies of a class of objects. The rings of Uranus were discovered in 1977 by their unexpected occultations of a star. Observations of planetary rings during the time from 1979 to 1982 are largely related to space missions involving the Pioneer 11 Saturn encounter (1979), and Voyager Jupiter (1979) and Saturn (1980-81) encounters. However, ground-based observations he also played and will continue to play a major role. The rings of Saturn are discussed, taking into account structural details, particle properties, and questions concerning an existence of embedded moonlets. Details regarding Jupiter's ring and Uranus' rings are also investigated. Theoretical developments of general interest are considered, giving attention to gravitational torques, internal collective effects, and electromagnetic and erosive processes acting on ring particles.

Cuzzi, J.↗
DOE OSTI2025

Homologous Ladder Cyclohexasilanes

Here, we report the synthesis of five new examples of ladder cyclohexasilanes, possessing up to three consecutive fused rings and differing in relative ring fusion configuration and side chain structure. By coupling a 1,4-dipotassiooligosilyl dianion to a cyclohexasilane, we obtained bi- and tricyclic ladder cyclohexasilanes. Combined experimental and theoretical studies suggested that annulation could favor the cis configuration under kinetic control, while the trans configuration predominates under thermodynamic control. Computational studies show that with each additional ring in the trans-diastereomeric series, the predicted onset of light absorption shifts to longer wavelengths.

36 MATERIALS SCIENCE↗
NASA NTRS1980

On sound transmission into a stiffened cylindrical shell with rings and stringers treated as discrete elements

In the context of the transmission of airborne noise into an aircraft fuselage, a mathematical model is presented for the transmission of an oblique plane sound wave into a finite cylindrical shell stiffened by stringers and ring frames. The rings and stringers are modeled as discrete structural elements. The numerical case studied was typical of a narrow-bodied jet transport fuselage. The numerical results show that the ring-frequency dip in the transmission loss curve that is present for a monocoque shell is still present in the case of a stiffened shell. The ring frequency effect is a result of the cylindrical geometry of the shell. Below the ring frequency, stiffening does not appear to have any significant effect on transmission loss, but above the ring frequency, stiffeners can enhance the transmission loss of a cylindrical shell.

Koval, L. R.↗
DOE OSTI2023

The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition

Cbl-b is a RING-type E3 ubiquitin ligase that is expressed in several immune cell lineages, where it negatively regulates the activity of immune cells. Cbl-b has specifically been identified as an attractive target for cancer immunotherapy due to its role in promoting an immunosuppressive tumor environment. A Cbl-b inhibitor, Nx-1607, is currently in phase I clinical trials for advanced solid tumor malignancies. Using a suite of biophysical and cellular assays, we confirm potent binding of C7683 (an analogue of Nx-1607) to the full-length Cbl-b and its N-terminal fragment containing the TKBD-LHR-RING domains. To further elucidate its mechanism of inhibition, we determined the co-crystal structure of Cbl-b with C7683, revealing the compound’s interaction with both the TKBD and LHR, but not the RING domain. Here, we provide structural insights into a novel mechanism of Cbl-b inhibition by a small-molecule inhibitor that locks the protein in an inactive conformation by acting as an intramolecular glue.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The Structure of Liquid and Glassy Carbamazepine

To enhance the solubility of orally administered pharmaceuticals, liquid capsules or amorphous tablets are often preferred over crystalline drug products. However, little is known regarding the variation in bonding mechanisms between pharmaceutical molecules in their different disordered forms. In this study, liquid and melt-quenched glassy carbamazepine have been studied using high energy X-ray diffraction and modeled using Empirical Potential Structure Refinement. The results show significant structural differences between the liquid and glassy states. The liquid shows a wide range of structures; from isolated molecules, to aromatic ring correlations and NH-O hydrogen bonding. Upon quenching from the liquid to the glass the number of hydrogen bonds per molecule increases by ~50% at the expense of a ~30% decrease in the close contact (non-bonded) carbon-carbon interactions between aromatic rings. During the cooling process, there is an increase in both singly and doubly hydrogen-bonded adjacent molecules. Although hydrogen-bonded dimers found in the crystalline states persist in the glassy state, the absence of a crystalline lattice also allows small, hydrogen-bonded NH-O trimers and tetramers to form. This proposed model for the structure of glassy carbamazepine is consistent with the results from vibrational spectroscopy and nuclear magnetic resonance.

Benmore, Chris J. (ORCID:0000000170077749)↗
DOE OSTI2022

Connecting cation site location to alkane dehydrogenation activity in Ni/BEA catalysts

Ni-modified beta zeolite (Ni/BEA) catalysts activate carbon-hydrogen bonds in light alkanes, as demonstrated through isobutane reaction testing. Controlled synthesis of Ni/BEA allows for efficient introduction of ion-exchanged Ni sites at varying Ni loadings (0.43% - 1.8%). These catalysts exhibit site time yields (STY) for H2 production that increase with increasing Ni loading. A detailed analysis of secondary reactions and carbon deposition based on the relative molar flowrates of product C and H indicates that the observed increase in H2 STY with increasing Ni loading is likely attributed to both increasing alkane activation activity and increasing formation of hydrogen-deficient aromatic products retained within the catalyst pores. In situ diffuse-reflectance UV-visible-NIR absorbance and X-ray absorption spectroscopies indicate isolated, 4-coordinate Ni(2+) species for all loadings. Quantum mechanics/molecular mechanics modeling identifies two distinct Ni(2+) sites consistent with the structural characterization, but with differing relative stabilities due to their coordination environment. Computed reaction energetics for isobutane dehydrogenation demonstrate that the more stable Ni(2+) species at a six-membered 4Si-2Al ring, Ni-6MR, is less active for isobutane dehydrogenation than the less stable Ni(2+) at the five-membered 3Si-2Al ring, Ni-5MR. The differing local structure of the isolated cationic Ni sites in Ni/BEA offers a possible rationalization for the increased H2 STY observed at greater Ni loadings.

catalysts↗
NASA NTRS1987

Shepherding of the Uranian rings. I - Kinematics. II - Dynamics

The possible kinematical relationships between the Uranian rings and all ten newly discovered satellites of Uranus are examined. Observational evidence is presented for interactions between 1986U7 and 1986U8 and the epsilon, delta, and gamma rings. The likelihood that these two satellites are shepherding the epsilon ring and are responsible for some of its internal structure is assessed, and the results are used to propose a reduction in the ring radius scale. It is also proposed that 1986U7 and 1986U8 are the inner and outer shepherds for the epsilon ring, that 1986U7 is the outer shepherd for the delta ring, and that 1986U8 is an outer shepherd for the gamma ring. The results of theoretical investigations of planetary ring dynamics are then applied to these associations, and their dynamical significance is evaluated. The resonant torques which the satellites exert on each ring are calculated and compared to the viscous torque which transports angular momentum outward through the ring and to the atmospheric-drag torque which causes the ring's orbit to decay.

Porco, Carolyn C.↗
NASA NTRS1974

Theory to test comparisons for selected aerospace multishell structures and their interfaces under thermomechanical loadings

Guidelines for structural shell analyses were obtained on the basis of theory-to-test comparisons made on two large-scale aerospace structures subject to thermomechanical loads. The first structural test was the cylindrical aluminum skin-stringer-ring construction of the S-IC forward skirt and S-II interstage. The second structural test included the truncated, cone-shaped, bonded honeycomb sandwich shell of the Spacecraft Lunar Module Adapter; the cylindrical bonded aluminum honeycomb sandwich construction of the Instrument Unit; and the skin-stringer construction with rings and intercostals of the S-IVB forward skirt. Analyses were made for loadings simulating the flight environment. Elementary shear lag theory was superimposed on shell analysis for interface junctions between stages to obtain favorable theory-to-test stress comparisons.

Ferdie, R. D.↗
NASA NTRSDate not supplied

TPSAS-NF1676L-32708-DND

Proposed Effort under Advanced Air Transport Technology (AATT): - Select advanced Al alloy with formability and additive manufacturability, high combined strength and toughness - Fabricate single-piece Integrally Stiffened Cylinders (~10 ft. dia. x 10 ft. long) with longitudinal stiffeners - Demonstrate joining technology for assembly of two cylinders into 20-ft. long fuselage structure - Optimize structural design incorporating tailored, selective reinforcement for durability and damage tolerance - Build-up window, door and circumferential ring frames with large-scale additive manufacturing - Structural test to validate manufacturing demonstration, structural models and analysis

Taminger, Karen M↗
DOE OSTI2021

Effect of metallosupramolecular polymer concentration on the synthesis of poly[n]catenanes

Poly[n]catenanes are a class of polymers that are composed entirely of interlocked rings. One synthetic route to these polymers involves the formation of a metallosupramolecular polymer (MSP) that consists of alternating units of macrocyclic and linear thread components. Ring closure of the thread components has been shown to yield a mixture of cyclic, linear, and branched poly[n]catenanes. Reported herein are investigations into this synthetic methodology, with a focus on a more detailed understanding of the crude product distribution and investigations into how the concentration of the MSP during the ring closing reaction impacts the resulting poly[n]catenanes. In addition to a better understanding of the molecular products obtained in these reactions, the results show that the concentration of the reaction can be used to tune the size and type of poly[n]catenanes accessed. At low concentrations the interlocked product distribution is limited to primarily oligomeric and small cyclic catenanes (number average molar mass $\overline{Mn}$ = 6.2 kg mol -1 , number of rings = 4). However, the same reaction at increased concentration can yield branched poly[n]catenanes with an $\overline{Mn}$ ca. 21 kg mol -1 and evidence of structures with as many as 640 interlocked rings (1000 kg mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Comparison of Fission Product Release Predictions using PARFUME and BISON with Results from the AGR-3/4 Irradiation Experiment

The PARFUME (PARticle Fuel ModEl) fuel performance modeling code and the BISON nuclear fuel performance application built on the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library were used to predict the fission product release from tristructural isotropic (TRISO) coated fuel particles and compacts during the third and fourth irradiation experiment of the Advanced Gas Reactor (AGR-3/4) Fuel Development and Qualification Program. The fuel performance modeling codes PARFUME and BISON modeled the AGR-3/4 irradiation experiment using the fuel compact time-averaged volume averaged (TAVA) daily temperatures for a total irradiation duration of 369.1 effective full power days (EFPD) to predict the release fraction of the fission product silver (Ag-110m) from a representative TRISO-coated fuel particle from AGR-3/4 compacts. Post-irradiation examination (PIE) measurements provided data on the release of these fission products in the compacts outside of the silicon carbide (SIC) layer. The PARFUME and BISON results were then compared to the silver release measured from compact gamma scanning. The results showed good agreement between PARFUME and BISON but both codes under-predicted the silver release fraction for all the compacts. In addition, BISON was used to model and predict the fission product concentration radial profile outside of the compacts in capsules’ inner and outer rings. These rings were either comprised of matrix and/or structural graphite. To obtain the concentration profiles of silver, cesium, and strontium, a sorption isotherm model was developed in BISON to capture the effects of fission product transport across the gaps between the concentric rings. The general shape of the concentration radial profiles as calculated by BISON were similar in the inner ring (IR) but varied in the outer ring (OR) depending on the fission product of interest or capsule temperature. Using this methodology and model, BISON now has the capability to aid in developing new fission product diffusion coefficients for matrix or structural graphite materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗