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At least 739 records · Page 41

Structure of a Hydrated Sulfonatotitanyl(IV) Complex in Aqueous Solution and the Dimethylsulfoxide Solvated Titanyl(IV) Ion in Solution and Solid State

The coordination chemistry of oxotitanium(IV) or titanyl(IV), TiO 2+ , has been studied in solution by X-ray methods. The titanyl(IV) ion hydrolyzes easily in aqueous systems to solid titanium dioxide as long as it is not stabilized through complexation. In this study the structures of the hydrated bissulfatotitanyl(IV) complex and the dimethylsulfoxide (DMSO) solvated titanyl(IV) ions have been determined. In isolated monomeric titanyl complexes titanium(IV) binds strongly to a doubly bound oxo group at ca. 1.64 Å, to four ligands in the equatorial plane almost perpendicular to the Ti=O bond at ca. 2.02 Å, and there is one weakly bound ligand, trans to the Ti=O bond, at ca. 2.22 Å, for oxygen donor ligands; the O=Ti–O eq bond angles are 95°–100°. The structure of the DMSO solvated titanyl(IV) ion in the solid state is maintained in DMSO solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Determination of aerodynamic stability and drag of the Titan 3 C SRM during entry

An experimental aerodynamic investigation was conducted in the NASA/MSFC 14-inch Trisonic Wind Tunnel on a 0.00736 scale model of Titan 3 C Solid Rocket Motor (SRM). Static stability and drag data were obtained for Mach numbers of 0.6 to 4.96, angles of attack of minus 10 deg to 190 deg, and roll angles of 0 to 360 deg. The resulting data will be used to predict the dynamic motions of the SRM during entry which will then be compared to flight data. This comparison will improve and lend credibility to methods for predicting the entry dynamics of the space shuttle Solid Rocket Booster (SRB), which is needed for recovery studies and design of the parachute recovery system.

Ramsey, P. E.↗

Wind-Tunnel Investigation of the Effect of Angle of Attack and Flapping-Hinge Offset on Periodic Bending Moments and Flapping of a Small Rotor

A two-blade rotor having a diameter of 4 feet and a solidity of 0.037 was tested in the Langley 300-MPH 7- by 10-foot tunnel to obtain information on the effect of certain rotor variables on the blade periodic bending moments and flapping angles during the various stages of transformation between the helicopter and autogiro configuration. Variables studied included collective pitch angle, flapping-hinge offset, rotor angle of attack, and tip-speed ratio. The results show that the blade periodic bending moments generally increase with tip-speed ratio up into the transition region, diminish over a certain range of tip-speed ratio, and increase again at higher tip-speed ratios. Above the transition region, the bending moments increase with collective pitch angle and rotor angle of attack. The absence of a flapping hinge results in a significant amplification of the periodic bending moments, the magnitudes of which increase with tip-speed ratio. When the flapping hinge is used, an increase in flapping-hinge offset results in reduced period bending moments. The aforementioned trends exhibited by the bending moments for changes in the variables are essentially duplicated by the periodic flapping motions. The existence of substantial amounts of blade stall increased both the periodic bending moments and the flapping angles. Harmonic analysis of the bending moments shows significant contributions of the higher harmonics, particularly in the transition region.

McCarty, John Locke↗

Imaging Sequences for Hyperpolarized Solids

Hyperpolarization is one of the approaches to enhance Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) signal by increasing the population difference between the nuclear spin states. Imaging hyperpolarized solids opens up extensive possibilities, yet is challenging to perform. The highly populated state is normally not replenishable to the initial polarization level by spin-lattice relaxation, which regular MRI sequences rely on. This makes it necessary to carefully “budget” the polarization to optimize the image quality. In this paper, we present a theoretical framework to address such challenge under the assumption of either variable flip angles or a constant flip angle. In addition, we analyze the gradient arrangement to perform fast imaging to overcome intrinsic short decoherence in solids. Hyperpolarized diamonds imaging is demonstrated as a prototypical platform to test the theory.

59 BASIC BIOLOGICAL SCIENCES↗

Near-opposition limb darkening of solids of planetary interest

Results are presented for a general laboratory study of the limb darkening at small phase angles of various materials of planetary interest, with particular attention given to the wavelength dependence of limb darkening. Only substances stable at room temperature were measured, including basalt, graphite, mixtures of MgO and charcoal powders, olivine, goethite, bronzite, CaCO3, MgSO4, BaSO4, limonite, and hematite. Previous studies aimed at determining the nature of limb darkening at opposition for different common materials are reviewed. It is found that the scattering properties of most particulate materials near phase zero can be described adequately by Minnaert's law, but that such a representation is totally inadequate for materials that tend to fracture into flakes with mirrorlike surfaces (e.g., bronzite and graphite). The results also indicate that materials such as olivine have scattering properties within deep absorption bands which exhibit definite departures from Minnaert's law at large angles of incidence or emission.

Veverka, J.↗

Orbiter/External Tank Mate 3-D Solid Modeling

This research and development project presents an overview of the work completed while attending a summer 2004 American Society of Engineering Education/National Aeronautics and Space Administration (ASEE/NASA) Faculty Fellowship. This fellowship was completed at the Kennedy Space Center, Florida. The scope of the project was to complete parts, assemblies, and drawings that could be used by Ground Support Equipment (GSE) personnel to simulate situations and scenarios commonplace to the space shuttle Orbiter/External Tank (ET) Mate (50004). This mate takes place in the Vehicle Assembly Building (VAB). These simulations could then be used by NASA engineers as decision-making tools. During the summer of 2004, parts were created that defined the Orbiter/ET structural interfaces. Emphasis was placed upon assemblies that included the Orbiter/ET forward attachment (EO-1), aft left thrust strut (EO-2), aft right tripod support structure (EO-3), and crossbeam and aft feedline/umbilical supports. These assemblies are used to attach the Orbiter to the ET. The Orbiter/ET Mate assembly was then used to compare and analyze clearance distances using different Orbiter hang angles. It was found that a 30-minute arc angle change in Orbiter hang angle affected distance at the bipod strut to Orbiter yoke fitting 8.11 inches. A 3-D solid model library was established as a result of this project. This library contains parts, assemblies, and drawings translated into several formats. This library contains a collection of the following files: sti for sterolithography, stp for neutral file work, shrinkwrap for compression. tiff for photoshop work, jpeg for Internet use, and prt and asm for Pro/Engineer use. This library was made available to NASA engineers so that they could access its contents to make angle, load, and clearance analysis studies. These decision-making tools may be used by Pro/Engineer users and non-users.

Godfrey, G. S.↗

SU-E-T-191: Commissioning and Dosimetric Characteristics of Elekta Agility for Total Skin Electron Beam (TSEB) Therapy

Purpose The purpose of this work is to publish beam data from Elekta Synergy(R) linear accelerators with Agility(TM) MLC for total skin electron beam (TSEB) therapy using the HDRE1 (High Dose Rate Electron 6MeV) energy. Method & Materials The optimal gantry angles for TSEB were determined using ion chamber measurements along a vertical profile at 450cm SSD. After gantry angles were chosen, field uniformity was measured over the entire treatment area. Uniformity was measured with and without the patient support device, allowing the dosimetric effect of the support device to be determined. Beam output and PDD were measured at the calibration point (450cm SSD) for a dual beam using a parallel plate chamber in solid water. These measurements were repeated with the chamber and phantom rotated about the patient isocenter at various angles, in order to measure the contribution from oblique beams. This technique provides a precise measurement of the treatment skin dose (TSD). Lastly, ion chamber measurements were verified by film and diodes. Results The optimal gantry angle for 450 cm SSD was determined to be 90±16°. This achieved uniformity better than 96% on the vertical axis, and 92% along the horizontal axis. HDRE1 was calibrated to deliver 10 cGy/MU at standard geometry (100 cm SSD, 1.2 cm depth). Thus at TSEB geometry (450 cm SSD, 0.1 cm depth) the output of the AP dual field was measured to be 0.35 cGy/MU. The TSD of a 20 cm radius cylinder for six (equally, 60° spaced) dual fields was measured to be 1.19 cGy/MU. Percent Depth Dose data for the AP dual field and TSD are shown in Figure 2. Conclusion This paper provides a modern procedure for commissioning TSEB therapy on a linear accelerator, and clinical beam data for the Elekta Synergy(R) with Agility(TM) MLC.

60 APPLIED LIFE SCIENCES↗

Digital Beam Steering Device Based on Decoupled Birefringent Prism Deflector and Polarization Rotator

We describe digital beam deflectors (DBDs) based on liquid crystals. Each stage of the device comprises a polarization rotator and a birefringent prism deflector. The birefringent prism deflects the beam by an angle that depends on polarization of the incident beam. The prism can be made of the uniaxial smectic A (SmA) liquid crystal (LC) or a solid crystal such as yttrium orthovanadate (YVO4). SmA prisms have high birefringence and can be constructed in a variety of shapes, including single prisms and prismatic blazed gratings of different angles and profiles. We address the challenges of uniform alignment of SmA, such as elimination of focal conic domains. Rotation of linear polarization is achieved by an electrically switched twisted nematic (TN) cell. A DBD composed of N rotator-deflector pairs steers the beam into 2(sup N) directions. As an example, we describe a four-stage DBD deflecting normally incident laser beam within the range of +/- 56 mrad with 8 mrad steps. Redirection of the beam is achieved by switching the TN cells.

Pishnyak, Oleg↗

Comparison of calculated and experimental cascade performance for controlled-diffusion compressor stator blading

The mid-span section of a previously reported controlled-diffusion compressor stator has been experimentally evaluated in cascade. Measurements are taken over a range of incidence angles for blade chord Reynolds numbers from 470,000 to 690,000. Blade chord length is 12.7 cm, aspect ratio is 2.0, and solidity is 1.67. Measurements include conventional cascade performance parameters as well as blade surface pressures. Computations are made for the inviscid flow field, surface boundary layers, and loss for several of the blade inlet angle conditions, are compared against corresponding data.

Sanger, N. L.↗

Comparison of calculated and experimental cascade performance for controlled-diffusion compressor stator blading

The mid-span section of a previously reported controlled-diffusion compressor stator has been experimentally evaluated in cascade. Measurements are taken over a range of incidence angles for blade chord Reynolds numbers from 470,000 to 690,000. Blade chord length is 12.7 cm, aspect ratio is 2.0, and solidity is 1.67. Measurements include conventional cascade performance parameters as well as blade surface pressures. Computations are made for the inviscid flow field, surface boundary layers, and loss for several of the blade inlet angle conditions, are compared against corresponding data.

Sanger, N. L.↗

Precise Control of Noncovalent Interactions in Semiconducting Polymers for High-Performance Organic Field-Effect Transistors

Performed through side-chain engineering or by incorporating intramolecular locking units, the directionality and dynamic nature of noncovalent interactions are particularly attractive for the design of novel semiconducting materials in a wide variety of applications. This work investigates the nature and position of hydrogen bonding (intra- versus intermolecular), with the objective of developing a rational approach to the design of new semiconducting materials with improved properties in the solid state. To control the polymer chains’ self-assembly, a π-conjugated polymer incorporating a moiety capable of generating intramolecular hydrogen bonding is evaluated against a polymer that allows for intermolecular hydrogen bonding. Characterization through various techniques, optical spectroscopies, grazing incidence wide-angle x-ray scattering, and solution small-angle neutron scattering showed that intramolecular hydrogen bonds resulted in materials with improved crystallinity and higher effective conjugation in the solid state. Additionally, the effect of the noncovalent interaction configuration on the optoelectronic properties was analyzed in organic field-effect transistor fabrication. Devices prepared from the materials with intramolecular hydrogen bonds showed significantly higher performance, with three orders of magnitude higher charge mobility than their counterparts fabricated from polymers with intermolecular hydrogen bonds. These results confirm the importance of chemical design on polymer structures and offer a novel route for the design of high-efficiency semiconducting polymers for next-generation electronics.

36 MATERIALS SCIENCE↗

Wettability Effects on Falling Film Flow and Heat Transfer Over Horizontal Tubes in Jet Flow Mode

The performance of a falling-film heat exchanger is strongly linked to the surface characteristics and the heat transfer processes that take place over the tubes. The primary aim of this numerical study is to characterize the influence of surface wettability on the film flow behavior and its associated surface heat transfer in the jet-flow mode. Volume of fluid (VOF) based simulations are carried out for horizontal tubes with different surface wettabilities. The wettability of the tube surfaces is represented using the Kistler's dynamic contact angle model. Surface wettability effects ranging from superhydrophilic to superhydrophobic are studied by varying the equilibrium contact angle from 2 deg to 175 deg. Two different liquid mass flow rates of 0.06 and 0.18 kg/m-s corresponding to the inline and staggered jet flow modes are studied. Results are presented in terms of the liquid film thickness, the contact areas between the different phases (solid–liquid and liquid–air), and the heat transfer coefficient or Nusselt number. The resistance imposed by the increasing contact angles inhibits the extent of the liquid spreading over the tube surface, and this, in turn, influences the liquid film thickness, and the wetted area of the tube surface. A significant decrement in the heat transfer rate from the tube surfaces was observed as the equilibrium contact angle increased from 2 deg to 175 deg. The local distributions of the Nusselt number over the tube surface are strongly influenced by the flow recirculation in the liquid bulk.

Engineering↗

Enhancing the Solubility of Semiconducting Polymers in Eco-Friendly Solvents with Carbohydrate-Containing Side Chains

Semiconducting polymers are at the forefront of next-generation organic electronics due to their robust mechanical and optoelectronic properties. However, their extended π-conjugation often leads to materials with low solubilities in common organic solvents, thus requiring processing in high-boiling-point and toxic halogenated solvents to generate thin-film devices. To address this environmental concern, a natural product-inspired side-chain engineering approach was used to incorporate galactose-containing moieties into semiconducting polymers toward improved processability in greener solvents. Novel isoindigo-based polymers with different ratios of galactose-containing side chains were synthesized to improve the solubilities of the organic semiconductors in alcohol-based solvents. The addition of carbohydrate-containing side chains to π-conjugated polymers was found to considerably impact the intermolecular aggregation of the materials and their microstructures in the solid state as confirmed by atomic force microscopy and grazing-incidence wide-angle X-ray scattering. The charge transport characteristics of the new semiconductors were evaluated by the fabrication of organic field-effect transistors prepared from both toxic halogenated and greener alcohol-based solvents. Importantly, the incorporation of carbohydrate-containing side chains was shown to have very little detrimental impact on the electronic properties of the polymer when processed from green solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accessing the Spectral Function in a Current-Carrying Device

The presence of an electrical transport current in a material is one of the simplest and most important realizations of nonequilibrium physics. The current density breaks the crystalline symmetry and can give rise to dramatic phenomena, such as sliding charge density waves, insulator-to-metal transitions, or gap openings in topologically protected states. Almost nothing is known about how a current influences the electron spectral function, which characterizes most of the solid’s electronic, optical, and chemical properties. In this work, we show that angle-resolved photoemission spectroscopy with a nanoscale light spot provides not only a wealth of information on local equilibrium properties, but also opens the possibility to access the local nonequilibrium spectral function in the presence of a transport current. Unifying spectroscopic and transport measurements in this way allows simultaneous noninvasive local measurements of the composition, structure, many-body effects, and carrier mobility in the presence of high current densities. In the particular case of our graphene-based device, we are able to correlate the presence of structural defects with locally reduced carrier lifetimes in the spectral function and a locally reduced mobility with a spatial resolution of 500 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Lithiation of Sulfur-Graphene Compounds Using Reactive Force-Field Molecular Dynamics Simulations

We performed molecular dynamics simulations of lithium-sulfur-graphene compounds using reactive force fields, providing a time scale to observe atomistic features relevant to the microscopic behavior of the of the bulk of sulfur-based cathodes to be used beyond our present Li-ion batteries. The samples we used were set to realistic geometries through sophisticated protocols to simulate ultrafast reactions that occur within the picosecond range, thus allowing us to get some insights into the characteristics of the bulk material in working cathodes of Li–S batteries, which are mixed with carbon to increase the poor electronic conductivity of S. We report chemical speciation and geometrical data at atomistic levels. We observed that slowly lithiated cathodes were more stable and with higher density than those that were suddenly fully-lithiated. We did not observe molecular Li 2 S formation; however, we observed an amorphous solid arrangement with the same stoichiometry of Li and S, with S–Li–S angles of ~111° and smaller ones due to the interaction between polysulfides that did not reacted totally. In addition, graphene keeps its planar shape; however, S8 changes its shape from rings to chains. Lithiated structures are more stable with lower energies, and more close-packed structures than structures with Li already inserted.

25 ENERGY STORAGE↗

Performance, static stability, and control effectiveness of a parametric space shuttle launch vehicle

This test was run as a continuation of a prior investigation of aerodynamic performance and static stability tests for a parametric space shuttle launch vehicle. The purposes of this test were: (1) to obtain a more complete set of data in the transonic flight region, (2) to investigate new H-0 tank noseshapes and tank diameters, (3) to obtain control effectiveness data for the orbiter at 0 degree incidence and with a smaller diameter H-0 tank, and (4) to determine the effects of varying solid rocket motor-to-H0 tank gap size. Experimental data were obtained for angles of attack from -10 to +10 degrees and for angles of sideslip from +10 to -10 degrees at Mach numbers ranging from .6 to 4.96.

Buchholz, R. E.↗

Space shuttle launch vehicle (13 P-OTS) strut support interference effects study in the Rockwell International 7- by 7-foot trisonic wind tunnel (IA68)

Strut support interference investigations were conducted on an 0.004-(-) scale representation of the space shuttle launch vehicle in order to determine transonic and supersonic model support interference effects for use in a future exhaust plume effects study. Strut configurations were also tested. Orbiter, external tank, and solid rocket booster pressures were recorded at Mach numbers 0.9, 1.2, 1.5, and 2.0. Angle of attack and angle of sideslip were varied between plus or minus 4 degrees in 2 degree increments. Parametric variations consisted only of the strut configurations.

Rogge, R. L.↗

Velocity visualization in gaseous flows

Techniques yielding simultaneous, multiple-point measurements of velocity in reacting or nonreacting flow fields have the potential to significantly impact basic and applied studies of fluid mechanics. This research program is aimed at investigating several candidate schemes which could provide such measurement capability. The concepts under study have in common the use of a laser source (to illuminate a column, a grid, a plane or a volume in the flow) and the collection of light at right angles (from Mie scattering, fluorescence, phosphorescence or chemiluminescence) using a multi-element solid-state camera (100 x 100 array of photodiodes). The work will include an overview and a status report of work in progress with particular emphasis on the method of Doppler-modulated absorption.

Hanson, R. K.↗