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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 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Selective Detection of Intermediate-Amplitude Motion by Solid-State NMR

The coexistence of rigid and mobile molecules or molecular segments abounds in biomolecular assemblies. Examples include the carbohydrate-rich cell walls of plants and intrinsically disordered proteins that contain rigid β-sheet cores. In solid-state nuclear magnetic resonance (NMR) spectroscopy, dipolar polarization transfer experiments are well suited for detecting rigid components, whereas scalar-coupling experiments are well suited for detecting highly mobile components. However, few NMR methods are available to detect the segments that undergo intermediate-amplitude fast motion. Here, we introduce two NMR experiments, a two-dimensional T 2H -filtered CP-hCH correlation and a three-dimensional J-INADEQUATE CCH correlation, to observe this intermediate-amplitude motion. Both experiments involve 1 H detection under fast magic-angle spinning (MAS). By combining 1 H transverse relaxation (T 2H ) filters with dipolar polarization transfer, we suppress the signals of both highly rigid and highly mobile species, thus revealing the signals of intermediate mobile species. 1 H detection under fast MAS is crucial for distinguishing the different motional amplitudes. Here, we demonstrate these techniques on several plant cell wall samples and show that they allow the selective detection and resolution of certain hemicellulose and pectin signals, which are usually masked by the signals of the rigid cellulose and the highly dynamic pectins in purely dipolar and scalar NMR spectra.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Simulation of Wingtip Vortex Flows with Reynolds-Averaged Navier–Stokes and Scale-Resolving Simulation Methods

The simulation of wingtip vortex flows is reported on with Reynolds-averaged Navier–Stokes (RANS) equations and scale-resolving simulation (SRS) models. These range from turbulent viscosity and Reynolds-stress model (RSM) RANS closures, to hybrid and bridging SRS methods. The aim of the study was threefold: assess the relevance of replicating the experimental flow conditions, evaluate the numerical requisites of each mathematical model, and determine their modeling accuracy in prediction of a representative wingtip vortex flow. The selected problem is the flow around a NACA 0012 wing at 10 deg of angle of attack and Reynolds number of 4.60×10 6 . The results confirm the relevance of reproducing the experimental flow conditions, in particular at the inlet boundary where the flow is not uniform. For this reason, the evaluation of modeling errors using the available measurements requires the specification of the experimental inlet conditions. On the other hand, the quantification of the modeling error indicates that solely RANS–RSM can achieve an accurate representation of the flow dynamics. Whereas the well-recognized limitations of turbulent viscosity RANS closures to deal with solid-body rotation lead to the overprediction of turbulence and consequent rapid diffusion of the wingtip vortex, the predictive use of SRS methods may reveal excessively complex and demanding.

42 ENGINEERING↗
DOE OSTI2020

Lagrangian simulations of spray interaction with a surface using a stochastic multi-regime impingement model

Modeling of spray impingement upon the piston or cylinder surface is important for hydrocarbon emission and soot predictions in high-fidelity simulation of internal combustion engines with direct injections. Due to the complexity of the physical process of spray impingement, current computational models heavily rely on the empirical studies which involve large uncertainties. A computational model is presented for spray impingement on solid walls in general computational fluid dynamics (CFD) simulations. The model adopts the Marmanis-Thoroddsen theory for determining the number of secondary droplets and a stochastic method for calculating the velocities of the secondary droplets. The numerical methods and parallel implementation of the impingement model are presented in detail. The model is implemented in Grit, which is a recently developed CPU/GPU performance-portable Lagrangian particle library, for accelerating spray simulations. The model and its implementation are tested for examples of spray impingements on flat and smooth surfaces with different impingement angles.

Ge, Wenjun↗
NASA NTRS1995

Backscatter model for the unusual radar properties of the Greenland Ice Sheet

A number of planetary objects exhibit large radar reflectivity and polarization ratios, and more recently, a similar behavior has been observed over a vast portion of the Earth's surface: the percolation facies of the Greenland Ice Sheet. Surface-based ranging radar data and snow stratigraphy studies demonstrated that the radar properties of that portion of Greenland are caused by enhanced scattering from massive, large, solid-ice bodies buried in the top few meters of the dry, cold, clean snowy surface of the ice sheet and created by seasonal melting and refreezing events. Here, we model the icy inclusions as randomly oriented, discrete, noninteracting, dielectric cylinders embedded in a transparent snow medium. An exact analytical solution is used to compute the scattered field from the cylinders. Using this model, we correctly predict the polarimetric radar observations gathered by an airborne imaging system at three wavelengths (5.6, 24, and 68 cm), between 19 deg and 65 deg incidence angle. The diameter and number density of the cylinders that are inferred from the radar data using the model are consistent with in situ observations of the icy inclusions. The large radar reflectivity and polarization ratios are interpreted as arising internal reflections of the radar signals in the icy inclusions that first-order external reflection models fail to predict. The results compare favorably with predictions from the coherent backscatter or weak localization theory and may provide a complementary framework for interpreting exotic radar echoes from other planetary objects.

Rignot, Eric↗
DOE OSTI2017

Enhancing the Efficiency of Organic Photovoltaics by a Photoactive Molecular Mediator

High boiling-point solvent additives, such as 1,8-diiodooctane, have been widely used to tune nanoscale phase morphology for increased efficiency in bulk heterojunction organic solar cells. However, liquid-state solvent additives remain in the active films for extended times and later migrate or evaporate from the films, leading to unstable device performance. Here, a solid-state photoactive molecular mediator, namely N(BAI) 3 , is reported that could be employed to replace the commonly used solvent additives to tune the morphology of bulk heterojunction films for improved device performance. The N(BAI) 3 mediator not only resides in the active films locally to fine tune the phase morphology, but also contributes to the additional absorption of the active films, leading to ~11% enhancement of power conversion efficiency of P3HT:PC 60 BM devices. Comparative studies are carried out to probe the nanoscale morphologies using grazing incidence wide-angle X-ray scattering and complementary neutron reflectometry. The use of 1 wt% N(BAI) 3 is found to effectively tune the packing of P3HT, presumably through balanced π-interactions endowed by its large conjugated π surface, and to promote the formation of a PC 60 BM-rich top interfacial layer. Finally, these findings open up a new way to effectively tailor the phase morphology by photoactive molecular mediators in organic photovoltaics.

14 SOLAR ENERGY↗
DOE OSTI2014

Visible light absorption of TiO{sub 2} materials impregnated with tungstophosphoric acid ethanol–aqueous solution at different pH values. Evidence about the formation of a surface complex between Keggin anion and TiO{sub 2} surfaces

Graphical abstract: - Highlights: • TPA impregnation on TiO{sub 2} particles was done at different initial pH values. • Powders characterization evidenced the possible existence of TPA–TiO{sub 2} complexes. • Keggin anion complexed on TiO{sub 2} would be responsible of visible light absorption. - Abstract: TiO{sub 2} particles prepared by the sol–gel method were impregnated at different pH values (1.0, 2.0, 5.0 and 10.0) with a water–ethanol solution (50% V/V) of tungstophosphoric acid (TPA) (0.012 M). Similar preparation was carried out to synthesize TiO{sub 2} impregnated with [WO{sub 4}]{sup 2−} (TiW). These materials were characterized by different techniques such as UV–vis diffuse reflectance spectroscopy (UV–vis DRS), magic angle spinning nuclear magnetic resonance of {sup 31}P ({sup 31}P MAS NMR), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Fourier transform Raman spectroscopy (FT-Raman). Results revealed that TPA–TiO{sub 2} materials exhibit visible light absorption only when impregnation was done at pH 1.0 (TiTPA1) and 2.0 (TiTPA2). TiW powder did not show visible light absorption. XRD patterns show the presence of peaks at 2θ = 25.4° (1 0 1), 37.9° (0 0 4), 47.8° (2 0 0) and 54.3° associated to the anatase phase. Solid NMR, FT-IR and FT-Raman characterization showed that TiTPA1 and TiTPA2 samples contain Keggin ([PW{sub 12}O{sub 40}]{sup 3−}) and lacunary anions ([PW{sub 11}O{sub 39}]{sup 7−}) respectively. On the other hand, FT-Raman results revealed a blue shifting and broadening of the band at 141 cm{sup −1} corresponding to anatase TiO{sub 2} and moreover, a broadening of bands at 900–1100 cm{sup −1} attributed to Keggin structures of TPA. Both spectral changes could be related to the formation of a surface complex between the Keggin anion of TPA and TiO{sub 2} surfaces. This interaction should be responsible for visible light absorption.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Oxygen-diffusion limited metal combustions in Zr, Ti, and Fe foils: Time- and angle-resolved x-ray diffraction studies

The transient phase and chemical transformations of diffusion controlled metal combustions in bulk Zr, Ti, and Fe foils have been investigated, in situ, using novel time- and angle-resolved x-ray diffraction (TARXD). The TARXD employs monochromatic synchrotron x-rays and a fast-rotating diffracted beam chopper resolving the diffraction image temporally in time-resolution of {approx}45 {mu}s along the azimuth on a 2D pixel array detector. The metal foil strips (10-25 {mu}m in thickness) are ignited using a pulsed electrical heating with a typical heating rate of {approx}10{sup 6} K/s. The x-ray results indicate that the combustion occurs in molten metals, producing a wide range of stoichiometric solid oxides. It reflects an enhanced oxygen solubility and mobility of molten metals with respect to those of solid metals. However, the initial oxides formed are mainly oxygen-deficient metal oxides of ZrO, TiO, and FeO/Fe{sub 3}O{sub 4} - the lowest suboxides stable at these high temperatures. These transition metal monoxides further react with unreacted molten metals, yielding the secondary products of Zr{sub 3}O, Ti{sub 3}O, and Ti{sub 2}O - but not in FeO/Fe{sub 3}O{sub 4}. On the other hand, the higher stoichiometric oxides of ZrO{sub 2} and TiO{sub 2} are formed in the later time only on the metal surface. These results clearly indicate that the combustion process of metal strips is diffusion limited and strongly depends on the solubility and diffusivity of oxygen into molten metals. The time-resolved diffraction data reveals no evidence for metal oxidation in solids, but a series of temperature-induced polymorphic phase transitions. The dynamic thermal expansibility of Fe measured in the present fast heating experiments is similar to those in static conditions (3.3*10{sup -5}/K vs 3.5*10{sup -5}/K for {alpha}-Fe and 6.5*10{sup -5}/K versus 7.0*10{sup -5}/K for {gamma}-Fe).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Effect of target composition on proton acceleration in ultraintense laser-thin foil interaction

The interactions of ultraintense circularly polarized laser pulses with a mixed solid target and a double-layer target are studied by two-dimensional particle-in-cell simulations. Different carbon and proton compositions in the targets are used in the simulations. It is shown that the proton acceleration mechanisms in both targets are very sensitive to the ion density ratios between protons and carbon ions. For a mixed solid target, a relatively low proton density gives rise to monoenergetic peaks in the proton energy spectrum while a high proton density leads to a large cut-off energy and wide energy spread. With the increase of the ratio, the so-called directed-Coulomb-explosion becomes dominated over the radiation pressure. Surprisingly, for a double-layer target with a front proton layer and an ultrathin rear carbon layer, a highly monoenergetic proton beam with a peak energy of 1.7 GeV/u, an energy spread of {approx}4%, and a divergency angle of 2 Degree-Sign can be obtained, which might have diverse applications in medical therepy and proton imaging in future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Structure characterization of MHEMT heterostructure elements with In{sub 0.4}Ga{sub 0.6}As quantum well grown by molecular beam epitaxy on GaAs substrate using reciprocal space mapping

The crystallographic parameters of elements of a metamorphic high-electron-mobility transistor (MHEMT) heterostructure with In{sub 0.4}Ga{sub 0.6}As quantum well are determined using reciprocal space mapping. The heterostructure has been grown by molecular-beam epitaxy (MBE) on the vicinal surface of a GaAs substrate with a deviation angle of 2° from the (001) plane. The structure consists of a metamorphic step-graded buffer (composed of six layers, including an inverse step), a high-temperature buffer of constant composition, and active high-electron-mobility transistor (HEMT) layers. The InAs content in the metamorphic buffer layers varies from 0.1 to 0.48. Reciprocal space mapping has been performed for the 004 and 224 reflections (the latter in glancing exit geometry). Based on map processing, the lateral and vertical lattice parameters of In{sub x}Ga{sub 1–x}As ternary solid solutions of variable composition have been determined. The degree of layer lattice relaxation and the compressive stress are found within the linear elasticity theory. The high-temperature buffer layer of constant composition (on which active MHEMT layers are directly formed) is shown to have the highest (close to 100%) degree of relaxation in comparison with all other heterostructure layers and a minimum compressive stress.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

Effect of Full-Chord Porosity on Aerodynamic Characteristics of the NACA 0012 Airfoil

A test was conducted on a model of the NACA 0012 airfoil section with a solid upper surface or a porous upper surface with a cavity beneath for passive venting. The purposes of the test were to investigate the aerodynamic characteristics of an airfoil with full-chord porosity and to assess the ability of porosity to provide a multipoint or self-adaptive design. The tests were conducted in the Langley 8-Foot Transonic Pressure Tunnel over a Mach number range from 0.50 to 0.82 at chord Reynolds numbers of 2 x 10(exp 6), 4 x 10(exp 6), and 6 x 10(exp 6). The angle of attack was varied from -1 deg to 6 deg. At the lower Mach numbers, porosity leads to a dependence of the drag on the normal force. At subcritical conditions, porosity tends to flatten the pressure distribution, which reduces the suction peak near the leading edge and increases the suction over the middle of the chord. At supercritical conditions, the compression region on the porous upper surface is spread over a longer portion of the chord. In all cases, the pressure coefficient in the cavity beneath the porous surface is fairly constant with a very small increase over the rear portion. For the porous upper surface, the trailing edge pressure coefficients exhibit a creep at the lower section normal force coefficients, which suggests that the boundary layer on the rear portion of the airfoil is significantly thickening with increasing normal force coefficient.

Mineck, Raymond E.↗
NASA NTRS1998

Video Guidance Sensor Flight Experiment Results

NASA's Marshall Space Flight Center flew on the STS-87 mission an active sensor system, the Video Guidance Sensor (VGS), to demonstrate its functioning in space and to collect performance data. The VGS was designed to provide near-range sensor data as part of an automatic rendezvous and docking system. The sensor determines the relative positions and attitudes between the active sensor and the passive target. The VGS uses laser diodes to illuminate retro-reflectors in the target, a solid-state camera to detect the return from the target, and a frame grabber and digital signal processor to convert the video information into the relative positions and attitudes. The system is designed to operate with the target within a relative azimuth of +/- 9.5 degrees and a relative elevation of +/- 7.5 degrees. The system will acquire and track the target within that field-of-view anywhere from 1.5 meters to 110 meters range, and is designed to acquire at relative attitudes of +/- 10 degrees in pitch and yaw and at any roll angle. The data is output from the sensor at 5 Hz, and the target and sensor software have been designed to permit two independent sensors to operate simultaneously (in order to allow for redundancy). The data from the flight experiment includes raw video data from the VGS camera, relative position and attitude measurements from the VGS to the target, independent hand-held laser ranges from the Shuttle Aft Flight Deck to the target, and Remote Manipulator System position data to correlate with the VGS data. The experiment was quite successful and returned much useful information. The experience gained from the design and flight of this experiment will lead to improved video sensors in the future.

Howard, Richard T.↗
DOE OSTI2015

Dynamics-based selective 2D {sup 1}H/{sup 1}H chemical shift correlation spectroscopy under ultrafast MAS conditions

Dynamics plays important roles in determining the physical, chemical, and functional properties of a variety of chemical and biological materials. However, a material (such as a polymer) generally has mobile and rigid regions in order to have high strength and toughness at the same time. Therefore, it is difficult to measure the role of mobile phase without being affected by the rigid components. Herein, we propose a highly sensitive solid-state NMR approach that utilizes a dipolar-coupling based filter (composed of 12 equally spaced 90° RF pulses) to selectively measure the correlation of {sup 1}H chemical shifts from the mobile regions of a material. It is interesting to find that the rotor-synchronized dipolar filter strength decreases with increasing inter-pulse delay between the 90° pulses, whereas the dipolar filter strength increases with increasing inter-pulse delay under static conditions. In this study, we also demonstrate the unique advantages of proton-detection under ultrafast magic-angle-spinning conditions to enhance the spectral resolution and sensitivity for studies on small molecules as well as multi-phase polymers. Our results further demonstrate the use of finite-pulse radio-frequency driven recoupling pulse sequence to efficiently recouple weak proton-proton dipolar couplings in the dynamic regions of a molecule and to facilitate the fast acquisition of {sup 1}H/{sup 1}H correlation spectrum compared to the traditional 2D NOESY (Nuclear Overhauser effect spectroscopy) experiment. We believe that the proposed approach is beneficial to study mobile components in multi-phase systems, such as block copolymers, polymer blends, nanocomposites, heterogeneous amyloid mixture of oligomers and fibers, and other materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Heavy ion measurement on LDEF

The Kiel Long Duration Exposure Facility (LDEF) experiment M0002, mounted on experiment tray E6, was designed to measure the heavy ion environment by means of CR-39 plastic solid state track detectors. The detector stack with a size of 40x34x4.5 cu cm was exposed in vacuum covered by thermal protection foils with a total thickness of approx. 14 mg/sq cm. After etching small samples of the detector foils tracks with Z greater than or = 6 could be easily detected on a background of small etch pits, which were probably produced by secondaries from proton interactions. The LDEF orientation with respect to the magnetic field lines within the South Atlantic Anomaly (SAA) is expected to be constant during the mission. Therefore, the azimuth angle distribution was measured on the detector foils for low energy stopping particles. All detected arrival directions are close to a plane perpendicular to the magnetic field line of -20 deg declination and -40 deg inclination at location 34 deg W and 27 deg S. Together with the steep energy spectrum, this spatial distribution close to the mirror plane in the SAA is an evidence that heavy ions were detected from a radiation belt population.

Beaujean, R.↗
NASA NTRS2002

Computing Aerodynamic Performance of a 2D Iced Airfoil: Blocking Topology and Grid Generation

The ice accrued on airfoils can have enormously complicated shapes with multiple protruded horns and feathers. In this paper, several blocking topologies are proposed and evaluated on their ability to produce high-quality structured multi-block grid systems. A transition layer grid is introduced to ensure that jaggedness on the ice-surface geometry do not to propagate into the domain. This is important for grid-generation methods based on hyperbolic PDEs (Partial Differential Equations) and algebraic transfinite interpolation. A 'thick' wrap-around grid is introduced to ensure that grid lines clustered next to solid walls do not propagate as streaks of tightly packed grid lines into the interior of the domain along block boundaries. For ice shapes that are not too complicated, a method is presented for generating high-quality single-block grids. To demonstrate the usefulness of the methods developed, grids and CFD solutions were generated for two iced airfoils: the NLF0414 airfoil with and without the 623-ice shape and the B575/767 airfoil with and without the 145m-ice shape. To validate the computations, the computed lift coefficients as a function of angle of attack were compared with available experimental data. The ice shapes and the blocking topologies were prepared by NASA Glenn's SmaggIce software. The grid systems were generated by using a four-boundary method based on Hermite interpolation with controls on clustering, orthogonality next to walls, and C continuity across block boundaries. The flow was modeled by the ensemble-averaged compressible Navier-Stokes equations, closed by the shear-stress transport turbulence model in which the integration is to the wall. All solutions were generated by using the NPARC WIND code.

Chi, X.↗
DOE OSTI2023

Elucidating Design Rules toward Enhanced Solid-State Charge Transport in Oligoether-Functionalized Dioxythiophene-Based Alternating Copolymers

This study investigates the solid-state charge transport properties of the oxidized forms of dioxythiophene-based alternating copolymers consisting of an oligoether-functionalized 3,4-propylenedioxythiophene (ProDOT) copolymerized with different aryl groups, dimethyl ProDOT (DMP), 3,4-ethylenedioxythiophene (EDOT), and 3,4-phenylenedioxythiophene (PheDOT), respectively, to yield copolymers P(OE3)-D, P(OE3)-E, and P(OE3)-Ph. At a dopant concentration of 5 mM FeTos 3 , the electrical conductivities of these copolymers vary significantly (ranging between 9 and 195 S cm –1 ) with the EDOT copolymer, P(OE3)-E, achieving the highest electrical conductivity. UV–vis–NIR and X-ray spectroscopies show differences in both susceptibility to oxidative doping and extent of oxidation for the P(OE3) series, with P(OE3)-E being the most doped. Wide-angle X-ray scattering measurements indicate that P(OE3)-E generally demonstrates the lowest paracrystallinity values in the series, as well as relatively small π–π stacking distances. The significant (i.e., order of magnitude) increase in electrical conductivity of doped P(OE3)-E films versus doped P(OE3)-D or P(OE3)-Ph films can therefore be attributed to P(OE3)-E exhibiting both the highest carrier ratios in the P(OE3) series, along with good π–π overlap and local ordering (low paracrystallinity values). Furthermore, these trends in the extent of doping and paracrystallinity are consistent with the reduced Fermi energy level and transport function prefactor parameters calculated using the semilocalized transport (SLoT) model. Observed differences in carrier ratios at the transport edge (c t ) and reduced Fermi energies [η(c)] suggest a broader electronic band (better overlap and more delocalization) for the EDOT-incorporating P(OE3)-E polymer relative to P(OE3)-D and P(OE3)-Ph. Ultimately, we rationalize improvements in electrical conductivity due to microstructural and doping enhancements caused by EDOT incorporation, a structure–property relationship worth considering in the future design of highly electrically conductive systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Coupling of laser energy into hot-electrons in high-contrast relativistic laser-plasma interactions

We use particle-in-cell simulations to explain the mechanisms responsible for the coupling of laser energy into relativistic electrons for the case of sharp interface, solid density metal targets free of pre-plasma. For perfectly flat interfaces, the accelerated electron trajectories are dominated by the standing-wave (SW) field structure formed by interference between incident and reflected pulses. We find that quasi-static magnetic fields that develop near the interface play only a minor role in perturbing the relativistic electron trajectories but can contribute to enhanced absorption. Target surfaces that are structured exhibit enhanced absorption, and the acceleration mechanism deviates from the clean standing-wave acceleration mechanism leading to more stochastic electron heating and larger divergence angles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

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