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At least 703 records · Page 39

Determination of atmospheric moisture structure and infrared cooling rates from high resolution MAMS radiance data

This program has applied Multispectral Atmospheric Mapping Sensor (MAMS) high resolution data to the problem of monitoring atmospheric quantities of moisture and radiative flux at small spatial scales. MAMS, with 100-m horizontal resolution in its four infrared channels, was developed to study small scale atmospheric moisture and surface thermal variability, especially as related to the development of clouds, precipitation, and severe storms. High-resolution Interferometer Sounder (HIS) data has been used to develop a high spectral resolution retrieval algorithm for producing vertical profiles of atmospheric temperature and moisture. The results of this program are summarized and a list of publications resulting from this contract is presented. Selected publications are attached as an appendix.

Menzel, W. Paul↗

Determination of the atmospheric structure of the BO star companion of SMC X-1 by analysis of Ginga observations

The x-ray phenomena of the binary system SMC X-1/Sk 160, observed with the Ginga and ROSAT x-ray observatories, are compared with computed phenomena derived from a three dimensional hydrodynamical model of the stellar wind perturbed by x-ray heating and ionization which is described in the accompanying paper. In the model the BOI primary star has a line-driven stellar wind in the region of the x-ray shadow and a thermal wind in the region heated by x-rays. We find general agreement between the observed and predicted x-ray spectra throughout the binary orbit cycle, including the extended, variable, and asymmetric eclipse transitions and the period of deep eclipse.

Clark, George W.↗

Corona Structure and Heating Constraints Determined from SERTS Observations

Intensities of the Extreme-ultraviolet (EUV) spectral lines were measured as a function of radius off the solar limb by two flights of the Goddard's Solar Extreme-ultraviolet Rocket Telescope and Spectrograph (SERTS) for three quiet sun regions. Density scale heights were determined for the different spectral lines. Limits on the filling factor were determined. In the one case where an upper limit was determined it was much less than unity. Coronal heating above 1.15 solar radii is required for all three regions studied. For reasonable filling factors, local heating is needed.

Falconer, D. A.↗

Huge Coronal Structure and Heating Constraints Determined from Serts Observations

Intensities of the extreme-ultraviolet (EUV) spectral lines were measured as a function of radius off the solar limb by two flights of the Goddard's Solar Extreme-Ultraviolet Rocket Telescope and Spectrograph (SERTS) for three quiet-Sun regions. Density scale heights were determined for the different spectral lines. Limits on the filling factor were determined. In the one case where an upper limit was determined it was much less than unity. coronal heating above 1.15 solar radii is required for all three regions studied. For reasonable filling factors, local heating is needed.

Falconer, D. A.↗

A Brief Introduction to the Theory of Friction Stir Welding

Friction stir welding (FSW) is a solid state welding process invented in 1991 at The Welding Institute in the United Kingdom. A weld is made in the FSW process by translating a rotating pin along a weld seam so as to stir the sides of the seam together. FSW avoids deleterious effects inherent in melting and is already an important welding process for the aerospace industry, where welds of optimal quality are demanded. The structure of welds determines weld properties. The structure of friction stir welds is determined by the flow field in the weld metal in the vicinity of the weld tool. A simple kinematic model of the FSW flow field developed at Marshall Space Flight Center, which enables the basic features of FSW microstructure to be understood and related to weld process parameters and tool design, is explained.

Nunes, Arthur C., Jr.↗

Stability Analysis of Intertank Formed Skin/Stringer Compression Panel with Simulated Damage

The External Tank (ET) is a component of the Space Shuttle launch vehicle that contains fuel and oxidizer. During launch, the ET supplies the space shuttle main engines with liquid hydrogen and liquid oxygen. In addition to supplying fuel and oxidizer, it is the backbone structural component of the Space Shuttle. It is comprised of a liquid hydrogen (LH2) tank and a liquid oxygen (LOX) tank, which are separated by an Intertank. The Intertank is a stringer-stiffened cylindrical structure with hat-section stringers that are roll formed from aluminum-lithium alloy Al-2090. Cracks in the Intertank stringers of the STS-133 ET were noticed after a November 5, 2010 launch attempt. The cracks were approximately nine inches long and occurred on the forward end of the Intertank (near the LOX tank), along the fastener line, and were believed to have occurred while loading the ET with the cryogenic propellants. These cracks generated questions about the structural integrity of the Intertank. In order to determine the structural capability of the Intertank with varying degrees of damage, a finite element model (FEM) simulating a 1995 compression panel test was analyzed and correlated to test data. Varying degrees of damage were simulated in the FEM, and non-linear stability analyses were performed. The high degree of similarity between the compression panel and the Intertank provided confidence that the ET Intertank would have similar capabilities.

Harper, David W.↗

Experimental determination of energy-level structures of diamond silicon-vacancy centers in off-axis magnetic fields

Here, we report the development of an experimental approach to efficiently determine the energy level structure of an individual silicon vacancy (SiV) center in a magnetic field along an arbitrary direction. This approach uses two coupling rates (one each for the ground and the excited states) to characterize the combined effects of static strain and dynamic Jahn-Teller coupling and exploits the fact that orbital Zeeman effects vanish when the magnetic field is normal to the SiV axis. With an analytical expression for the energy level structure of the SiV under a transverse magnetic field, the two coupling rates can be directly derived from two measurements: one on the frequency separation between two spin-conserved transitions and the other on the coherent population trapping resonance of the SiV ground spin states. A detailed comparison between the numerical calculation and the experimental result on the dependence of the spin-conserved splitting on both the amplitude and direction of the magnetic field further reveals unequal orbital magnetic coupling for the ground and excited states, indicating that unequal orbital quenching factors are needed for an accurate description of the SiV energy level structure in a magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Molecular Structure of Sphingomyelin in Fluid Phase Bilayers Determined by the Joint Analysis of Small-Angle Neutron and X-ray Scattering Data

In this work, we have determined the fluid bilayer structure of palmitoyl sphingomyelin (PSM) and stearoyl sphingomyelin (SSM) by simultaneously analyzing small-angle neutron and X-ray scattering data. Using a newly developed scattering density profile (SDP) model for sphingomyelin lipids, we report structural parameters including the area per lipid, total bilayer thickness, and hydrocarbon thickness, in addition to lipid volumes determined by densitometry. Unconstrained all-atom simulations of PSM bilayers at 55 °C using the C36 CHARMM force field produced a lipid area of 56 Å 2 , a value that is 10% lower than the one determined experimentally by SDP analysis (61.9 Å2). Furthermore, scattering form factors calculated from the unconstrained simulations were in poor agreement with experimental form factors, even though segmental order parameter (S CD ) profiles calculated from the simulations were in relatively good agreement with S CD profiles obtained from NMR experiments. Conversely, constrained area simulations at 61.9 Å 2 resulted in good agreement between the simulation and experimental scattering form factors, but not with S CD profiles from NMR. We discuss possible reasons for the discrepancies between these two types of data that are frequently used as validation metrics for molecular dynamics force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polymer-based microfluidic device for on-chip counter-diffusive crystallization and in situ X-ray crystallography at room temperature

Proteins are long chains of amino acid residues that perform a myriad of functions in living organisms, including enzymatic reactions, signalling, and maintaining structural integrity. Protein function is determined directly by the protein structure. X-ray crystallography is the primary technique for determining the 3D structure of proteins, and facilitates understanding the effects of protein structure on function. The first step towards structure determination is crystallizing the protein of interest. We have developed a centrifugally-actuated microfluidic device that incorporates the fluid handling and metering necessary for protein crystallization. Liquid handling takes advantage of surface forces to control fluid flow and enable metering, without the need for any fluidic or pump connections. Our approach requires only the simple steps of pipetting the crystallization reagents into the device followed by either spinning or shaking to set up counter-diffusive protein crystallization trials. The use of thin, UV-curable polymers with a high level of X-ray transparency allows for in situ X-ray crystallography, eliminating the manual handling of fragile protein crystals and streamlining the process of protein structure analysis. We demonstrate the utility of our device using hen egg white lysozyme as a model system, followed by the crystallization and in situ, room temperature structural analysis of the hub domain of calcium–calmodulin dependent kinase II (CaMKIIβ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insights from Femtosecond Transient Absorption Spectroscopy into the Structure–Function Relationship of Glyceline Deep Eutectic Solvents

This study aimed to determine the structure–function relationship (SFR) for ChCl–glycerol mixtures, a deep eutectic solvent (DES), by investigating their microscopic solvation dynamics and how it relates to their macroscopic properties across varying concentrations of ChCl. Femtosecond transient absorption (fs-TA) spectroscopy revealed two distinct solvation dynamics time constants: τ 1 , governed by glycerol–glycerol interactions, and τ 2 , dominated by the choline response. The τ 2 minimum at 25–30 mol % ChCl closely aligned with the eutectic composition (~33.33 mol % ChCl), where the glycerol network was the most organized and the choline ions exhibited the fastest relaxation. The viscosity decreased sharply up to ~25 mol % ChCl and then plateaued, while the conductivity increased monotonically with ChCl concentration, reflecting enhanced ionic mobility. The density decreased with both increasing ChCl concentration and temperature, indicating disrupted hydrogen bonding and reduced molecular packing. The polarity, measured using betaine-30 (B30) and the E T (30) polarity scale, increased steeply up to approximately 25 mol % ChCl before reaching a plateau. These findings identified the eutectic composition as the optimal concentration range for balancing stability, fluidity, conductivity, and enhanced dynamics within the glycerol system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A modal combination computer program for dynamic analysis of structures

Computer program determines the response of a composite linear structure to sinusoidal base motion of a restrained structure or sinusoidal forces of a free structure. This program is applied to problems of testing practices and closed-loop stability of autopilot controlled space vehicles. It is written for the IBM 7094 in FORTRAN 4 language.

Bamford, R. M.↗

Investigation of the Structural Damping of a Full-scale Airplane Wing

An investigation to determine the structural damping characteristics of a full-scale airplane wing was conducted by the shock-excitation method wherein the wing was loaded to a predetermined deflection and the load suddenly released. The test specimen vibrated at its fundamental bending frequency of 1.69 cycles per second. Only the first 2 or 3 cycles showed any indication of a higher frequency being superimposed upon the fundamental bending frequency. The damping was found to increase from about 0.002 to critical at an amplitude of vibration of plus and minus 0.05 inch to approximately 0.006 of critical at an amplitude of + or - 5 inches.

LOADS AND STRESSES, STRUCTURAL - DYNAMIC↗

Electrolyte/Dye/TiO 2 Interfacial Structures of Dye-Sensitized Solar Cells Revealed by In Situ Neutron Reflectometry with Contrast Matching

The nature of an interfacial structure buried within a device assembly is often critical to its function. For example, the dye/TiO 2 interfacial structure that comprises the working electrode of a dye-sensitized solar cell (DSC) governs its photovoltaic output. These structures have been determined outside of the DSC device, using ex situ characterization methods; yet, they really should be probed while held within a DSC since they are modulated by the device environment. Dye/TiO 2 structures will be particularly influenced by a layer of electrolyte ions that lies above the dye self-assembly. We show that electrolyte/dye/TiO 2 interfacial structures can be resolved using in situ neutron reflectometry with contrast matching. Here, we find that electrolyte constituents ingress into the self-assembled monolayer of dye molecules that anchor onto TiO 2 . Some dye/TiO 2 anchoring configurations are modulated by the formation of electrolyte/dye intermolecular interactions. These electrolyte-influencing structural changes will affect dye-regeneration and electron-injection DSC operational processes. This underpins the importance of this in situ structural determination of electrolyte/dye/TiO 2 interfaces within representative DSC device environments.

14 SOLAR ENERGY↗

Potent HIV‑1 protease inhibitors containing oxabicyclo octanol-derived P2-ligands: Design, synthesis, and X‑ray structural studies of inhibitor-HIV-1 protease complexes

Here, we describe here the design, synthesis, and X-ray structural studies of a new class of HIV-1 protease inhibitors containing 8-oxabicyclo[3.2.1]octanol-derived P2 ligands. We investigated the functional effect of these stereochemically defined fused-poly cyclic ligands on enzyme inhibition and antiviral activity in MT-2 cells. The tricyclic core of 8-oxabicyclo[3.2.1]octan-6-ol is designed to interact with the residues in the S2 subsite of HIV-1 protease. The syntheses of the ligands were carried out using the [5+2]-cycloaddition as the key step. Several inhibitors exhibited potent enzyme inhibitory activity. High resolution room-temperature X-ray structures of inhibitor-bound HIV-1 protease were determined. These structures provided important molecular insights for further design and optimization of inhibitor potency.

60 APPLIED LIFE SCIENCES↗