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At least 37 records · Page 2

Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Nitrogen Substitution

The B3LYP/4-31G approach is used to compute the harmonic frequencies of substituted naphthalene, anthracene, and their cations. The substitutions include cyano (CN), aminio (NH2), imino (NH), and replacement of a CH group by a nitrogen atom. All unique sites are considered, namely 1 and 2 for naphthalene and 1, 2, and 9 for an'tracene, except for the imino, where only 2-iminonaphthalene is studied. The IR spectra of these substituted species are compared with those of the unsubstituted molecules. The addition of a CN group does not significantly affect the spectra except to add the CN stretching frequency. Replacing a CH group by N has only a small effect on the IR spectra. The addition of the NH2 group dramatically affects the neutral spectra, giving it much of the character of the cation spectra. However, the neutral 2-irrinonaphthalene spectra looks more like that of naphthalene than like the 2-aminonaphthalene spectra.

Bauschlicher, Charles W.↗

Synthesis and Photoluminescent Properties of Arylethynyl substituted 9,10-Anthraquinones

A series of arylethynyl substituted anthraquinones were synthesized via Sonogashira coupling reactions of 2,7- dibromo-, 2,6-dibromo- and 2-bromoanthraquinone with para-substituted phenylacetylenes. While the redox properties of those compounds are almost insensitive to substitution, their absorption maxima are linearly related to the Hammett constants for electron donating and electron withdrawing groups separately. All compounds are photoluminescent both in solution (quantum yield of emission approximately 2%) and as solids. X-ray crystallographic characterization of 2,7-bisphenylethynyl anthraquinone indicates a monoclinic p2(l/n) space group and no indication for pi-overlap that would promote self-quenching. The emission maxima are red- shifted by both electron donating and electron withdrawing groups alike. The Stokes shifts of all compounds are significant and are correlated to the electronic properties of the substituents. The reduced forms of these compounds are also photoluminescent and the emission originates from the dihydroanthraquinone core.

Yang, Jin-Hua↗

Spacecraft methods and structures with enhanced attitude control that facilitates gyroscope substitutions

Methods and structures are provided that enhance attitude control during gyroscope substitutions by insuring that a spacecraft's attitude control system does not drive its absolute-attitude sensors out of their capture ranges. In a method embodiment, an operational process-noise covariance Q of a Kalman filter is temporarily replaced with a substantially greater interim process-noise covariance Q. This replacement increases the weight given to the most recent attitude measurements and hastens the reduction of attitude errors and gyroscope bias errors. The error effect of the substituted gyroscopes is reduced and the absolute-attitude sensors are not driven out of their capture range. In another method embodiment, this replacement is preceded by the temporary replacement of an operational measurement-noise variance R with a substantially larger interim measurement-noise variance R to reduce transients during the gyroscope substitutions.

Li, Rongsheng↗

Effects of Hydrogen Bonding and Molecular Chain Flexibility of Substituted n-Alkyldimethylsilanes On Impact Ice Adhesion Shear Strength

The effects of hydrogen bonding and molecular flexibility upon ice adhesion shear strength were investigated using aluminum substrates coated with substituted n-alkyldimethylalkoxysilanes. The location of the chemical group substitution was on the opposing end of the linear n-alkyl chain with respect to silicon. Three hydrogen-bonding characteristics were evaluated: 1) non-hydrogen bonding, 2) donor/acceptor, and 3) acceptor. Varying the length of the n-alkyl chain provided an assessment of molecular chain flexibility. Coated and uncoated aluminum surfaces were characterized by receding water contact angle and surface roughness. Ice adhesion shear strength was determined in the Adverse Environment Rotor Test Stand facility from -16 to -8°C that simulated aircraft in-flight icing conditions within the FAR Part 25/29 Appendix C icing envelope. Surface roughness of the coatings was similar allowing for comparison of the test results. An adhesion reduction factor, based on the ice adhesion shear strength data with respect to uncoated aluminum obtained at the same temperature, was calculated to compare the data. The results revealed complex interactions with impacting supercooled water droplets that were interdependent upon ice accretion temperature, surface energy characteristics of water and ice, hydrogen bonding characteristic of the substituent, and length of the n-alkyl chain. To aid in explaining the results, 1) changes in the surface energy component (i.e., non-polar and polar) values that water undergoes during its’ phase change from liquid to solid that arise from the freezing of impacting supercooled water droplets on the surface depended upon the temperature during accretion were taken into account and 2) the physical properties (i.e., water solubility and melting point) of small compounds analogous to the substituted n-alkyldimethylalkoxysilanes used in this study were compared.

Smith, Joseph G.↗

Substitution of ceramics for high temperature alloys

The high temperature capability of ceramics such as silicon nitride and silicon carbide can result in turbine engines of improved efficiency. Other advantages when compared to the nickel and cobalt alloys in current use are raw material availability, lower weight, erosion/corrosion resistance, and potentially lower cost. The use of ceramics in three different sizes of gas turbine is considered; these are the large utility turbines, advanced aircraft turbines, and small automotive turbines. Special consideration, unique to each of these applications, arise when one considers substituting ceramics for high temperature alloys. The effects of material substitutions are reviewed in terms of engine performance, operating economy, and secondary effects.

Probst, H. B.↗

Substitution for chromium in 304 stainless steel

An investigation was conducted to determine the effects of substituting less strategic elements for Cr on oxidation and corrosion resistance of AISI 304 stainless steel. Cyclic oxidation resistance was evaluated at 870 C. Corrosion resistance was determined by exposure of specimens to a boiling copper-rich solution of copper sulfate and sulfuric acid. Alloy substitutes for Cr included Al, Mn, Mo, Si, Ti, V, Y, and misch metal. A level of about 12% Cr was the minimum amount of Cr required for adequate oxidation and corrosion resistance in the modified composition 304 stainless steels. This represents a Cr saving of 33 percent. Two alloys containing 12% Cr plus 2% Al plus 2% Mo and 12% Cr plus 2.65% Si were identified which exhibited oxidation and corrosion resistance comparable to AISI 304 stainless steel.

Stephens, J. R.↗

Reduction of chromium in Ni-base superalloys through element substitution and rapid solidification processing

The reduction in the use of Cr in Ni base superalloys by the combined approaches of both elemental substitution and rapid solidification processing is studied. The elements Si, Zr, Y and Hf were chosen as potential partial substitutes for Cr in Waspaloy and IN 713LC sine their separate addition to other alloys has previously resulted in enhanced oxidation resistance. The roles of Cr and these replacement elements in determining the microstructure and properties are evaluated. The elements Si, Zr, and Y and Hf are used as partial replacements for Cr in the base superalloys and these resultant alloys are processed using rapid solidification techniques. The mechanical properties and oxidation resistance of the processed materials are evaluated. The microstructure is characterized using state of the art techniques (e.g. analytical transmission electron microscopy), and the mechanism by which these structures are produced is determined.

Fraser, H. D.↗

Carboranylmethylene-substituted phosphazenes and polymers thereof

Carboranylmethylene-substituted cyclophosphazenes are described which can be thermally polymerized into carboranylmethylene-substituted phosphazene polymers. The polymers are useful as thermally stable coatings. Also, due to the characteristics of these polymers in acting as a ligand for transition metals, metalocarboranylmethylene phosphazene polymers are described which can act as immobilized catalyst systems, and are electrically conductive and superconductive.

Allcock, H. R.↗

Effect of diamagnetic substitution on growth-induced anisotropy in (YBi)3Fe5O12

Films of (Y/3-x-y/Bi/x/Pb/y/)(Fe/5-z/Ga/z/)O12(Z = 0-1.1) and (Y/3-x-y/Bi/x/PB/y/)(Fe/5-w/In/w/)O12(w = 0-O.6) garnets were prepared by liquid-phase epitaxy. The effects of tetrahedral Ga and octahedral In substitution on the Bi-based growth-induced uniaxial anisotropy in (Ybi)3Fe5O12 films were measured. Both Ga and In resulted in a linear decrease in the anisotropy with increasing substitution. The effect of octahedral In was twice that of tetrahedral Ga.

Fratello, V. J.↗

A study of reduced chromium content in a nickel-base superalloy via element substitution and rapid solidification processing

A study of reduced chromium content in a nickel base superalloy via element substitution and rapid solidification processing was performed. The two elements used as partial substitutes for chromium were Si and Zr. The microstructure of conventionally solidified materials was characterized using microscopy techniques. These alloys were rapidly solidified using the chill block melt spinning technique and the rapidly solidified microstructures were characterized using electron microscopy. The spinning technique and the rapidly solidified microstructures was assessed following heat treatments at 1033 and 1272 K. Rapidly solidified material of three alloys was reduced to particulate form and consolidated using hot isostatic pressing (HIP). The consolidated materials were also characterized using microscopy techniques. In order to evaluate the relative strengths of the consolidated alloys, compression tests were performed at room temperature and 1033 K on samples of as-HIPed and HIPed plus solution treated material. Yield strength, porosity, and oxidation resistance characteristics are given and compared.

Powers, William O.↗

Rare-earth substitution in (BiYCa)3(FeSiGe)5O12 bubble films

The substitution of Y by Sm, Tb, Gd, and Ho in (BiYCa)3 FeSiGe)5O12 bubble garnet is shown to have large effects on the growth-induced anisotropy (GIA). The presently accepted film composition intended for 6-or 8-micron-period bubble memory devices demands partial substitution of Y by Gd and Ho. However, comparing films grown under the same growth conditions, it is observed that YGdHoBilG films posess less (GIA) than their Gd, Ho-free counterparts. Thus, to satisfy (GIA) requirements, the supercooling during growth must be increased by 20 K to 80 K with undesirable effects on defect densities. A new film composition containing Sm, Tb, and Gd has been formulated to satisfy all known material property specifications for 6- or 8-micron-period memory devices. It can be grown with only 45-50 K supercooling.

Luther, L. C.↗

Sensory substitution for space gloves and for space robots

Sensory substitution systems for space applications are described. Physical sensors replace missing human receptors and feed information to the interpretive centers of a different sense. The brain is plastic enough so that, with training, the subject localizes the input as if it were received through the missing receptors. Astronauts have difficulty feeling objects through space suit gloves because of their thickness and because of the 4.3 psi pressure difference. Miniature force sensors on the glove palm drive an electrotactile belt around the waist, thus augmenting the missing tactile sensation. A proposed teleoperator system with telepresence for a space robot would incorporate teleproprioception and a force sensor/electrotactile belt sensory substitution system for teletouch.

Bach-Y-rita, P.↗

Structural chemistry of Au(III)-substituted Ba2YCu3O(7-delta)

A series of gold-substituted perovskite superconductors Ba2Y(Cu/1-x/Aux)3O(7-delta)(x = 0-0.1) was synthesized. For x = 0.1, there was no change in the a and b lattice parameters (a = 3.826 A and b = 3.889 A), but a 0.06 A c-axis expansion to 11.75 A was observed. Substituted gold was found to be trivalent by X-ray photoelectron spectroscopy. Replacing Cu(1) in the copper oxide chain with a slight reordering of oxygen is consistent with c-axis expansion. The formal charge of the site remains trivalent, while remaining Cu in the chains is reduced to Cu(I), resulting in an oxygen stoichiometry of less than 7. Finally, no large effect on Tc is observed (Tc = 89 K for x = 0.10), in contrast to the effect of a number of other metal ion dopants. These results are discussed relative to the chemistry of Au(III) and to the use of the metal in structures containing gold and ceramic superconductors.

Hepp, A. F.↗

The Space Station Freedom evolution-phase - Crew-EVA demand for robotic substitution by task primitive

Space Station Freedom represents a significant demand for automation and robotics services as substitutes for crew EVAs. Results are reported from a study aimed at identifying the demand for crew EVA and the crew-task primitive distributions derived for input to future robotic substitution studies. Generic EVA tasks are developed from historical EVA mission timelines, and a set of 70 task primitives defined. The generic task activities are partitioned into task setup, kernel, and tear-down, with standardized task times and frequencies. These standardized times are coupled with inputs from numerous mission data bases in a probabilistic simulation to obtain estimates of total crew-EVA task time demand by crew task primitive. The use of probabilistic model is found to be crucial for understanding, isolating, and addressing the large uncertainties in the EVA task kernels.

Smith, Jeffrey H.↗

Substituted 1,1,1-triaryl-2,2,2-trifluoroethanes and processes for their synthesis

Synthetic procedures are disclosed for tetraalkyls, tetraacids, and dianhydrides substituted 1,1,1-triaryl 2,2,2-trifluoroethanes which comprises: (1) 1,1-bis (dialkylaryl) 1-aryl 2,2,2-trifluoroethane, (2) 1,1-bis (dicarboxyaryl) 1-aryl 2,2,2-trifluoroethane, or (3) cyclic dianhydride or diamine of 1,1-bis (dialkylaryl) 1-aryl 2,2,2-trifluoroethanes. The synthesis of (1) is accomplished by the condensation reaction of an aryltrifluoromethyl ketone with a dialkylaryl compound. The synthesis of (2) is accomplished by the oxidation of (1). The synthesis dianhydride of (3) is accomplished by the conversion of (2) to its corresponding cyclic dianhydride. The synthesis of the diamine is accomplished by the similar reaction of an aryltrifluoromethyl ketone with aniline or aklyl substituted or disubstituted anilines. Also, other derivatives of the above are formed by nucleophilic displacement reactions.

Alston, William B.↗

Fully elliptic incompressible flow calculations on regular grid by a new pressure substitution method

A new method is presented for the solution of incompressible flow in generalized coordinates. This method is based on the substitution of the pressure weighted form of the momentum equations into the continuity equation. The algorithm is rigorously derived and a Fourier analysis is used to assess its suitability to act as an error smoother. Linear stability analysis results indicate that the performance of the new pressure substitution method (PSM) and the pressure correction method (PCM) is about the same at low Reynolds numbers, with no significant pressure gradient. At high Reynolds numbers the PSM shows much faster convergence. Likewise prediction of various flows indicate that the PSM has better accuracy for high Reynolds number flows with significant pressure gradients. Since most practical aerodynamic flows have significant pressure gradients, the PSM seems to be attractive for such flows. Solutions for both laminar and turbulent flow are compared with the experimental data. A two-equation low Reynolds number turbulence model is used to resolve the turbulent flowfield.

Hobson, G. V.↗

Transformation products of submicron-sized aluminum-substituted magnetite: Color and reductant solubility

Magnetite, when present as fine particles, is soluble in acid ammonium oxalate (pH equals 3). However, the commonly used extractant for free iron oxides (i.e., citrate dithionite-bicarbonate (CDB) is not very effective in dissolving magnetite in soils and geologic materials. Upon oxidation, magnetite transforms to maghemite; at elevated temperatures, maghemite inverts to hematite. This transformation causes a change in color from black to red and may affect the reductant solubility as well. The objectives here were to examine the color and reflectance spectral characteristics of products during the transformation of magnetite to maghemite to hematite and to study the effect of Al-substitution in magnetite on the above process. Reductant solubility of Al-substituted magnetite, maghemite, and hematite was also studied. In summary, the transformation of magnetite to maghemite was accompanied by a change in color from black to red because of the oxidation of Fe2(+) to Fe3(+). The phase change maghemite to hematite had a relatively minor effect on the color and the reflectance spectra.

Golden, D. C.↗

Reflectivity (visible and near IR), Moessbauer, static magnetic, and X ray diffraction properties of aluminum-substituted hematites

The effect of substituting iron by aluminum in polymorphs of Fe2O3 and FeOOH on their reflectivity characteristics was investigated by comparing data on visible and NIR reflectivities and on static magnetic, XRD, and Moessbauer properties for a family of aluminum-substituted hematites alpha-(Fe,Al)2O3, with compositions where the values of the Al/(Al+Fe) ratio were up to 0.61. Samples were prepared by oxidation of magnetite, dehydroxylation of goethite, and direct precipitation. The analytical methods used for obtaining diffuse reflectivity spectra (350-2200 nm), Moessbauer spectra, and static magnetic data are those described by Morris et al. (1989).

Morris, Richard V.↗