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At least 685 records · Page 38

Relaxation of molecular velocities and spectral line profiles of astrophysical masers

The rates at which the velocities of water molecules relax to a Maxwellian distribution are calculated under conditions that are representative of those in astrophysical water masers. Populations are calculated as a function of velocity for the lowest 40 rotational energy levels of ortho-water in order to make a detailed determination of the velocity relaxation rate. Relaxation rates for the 22 GHz maser at H2 densities of 10 exp 9/cu cm are 2.0/s and 5.1/s for temperatures of 400 K and 1000 K, respectively. Under these and other conditions, as well as for other maser transitions, the relaxation rate far exceeds the loss rate - usually by more than a factor of 10. Thus maser lines can remain narrow up to intensities that are at least a factor of 10 greater than the saturation intensity, and to path lengths that are at least a factor of 10 greater than the path length at which saturation occurs. Relaxation is dominated by the effects of trapped infrared radiation, though elastic and inelastic collisions are also included in the calculations. These relaxation rates, together with the observed line breadths of the 22 GHz masers, provide limits on maser luminosities which indicate that the brightest 22 GHz masers are highly beamed, with solid angles smaller than 10 exp -5 to 10 exp -4 Sr.

Anderson, Nels↗

Crystallization and preliminary X-ray analysis of Der f 2, a potent allergen derived from the house dust mite (Dermatophagoides farinae)

Although a number of allergens have been identified and isolated, the underlying molecular basis for the potent immune response is poorly understood. House dust mites (Dermatophagoides sp.) are ubiquitous contributors to atopy in developed countries. The rhinitis, dermatitis and asthma associated with allergic reactions to these arthropods are frequently caused by relatively small (125-129 amino acids) mite proteins of unknown biological function. Der f 2, a major allergen from the mite D. farinae, has been recombinantly expressed, characterized and crystallized. The crystals belong to the tetragonal space group I4(1)22, with unit-cell parameters a = b = 95.2, c = 103.3 A. An essentially complete (97.2%) data set has been collected to 2.4 A at a synchrotron source. Attempts to solve the crystal structure of Der f 2 by molecular replacement using the NMR coordinates for either Der f 2 or Der p 2 (the homologous protein from D. pteronyssinus) failed, but preliminary searches using the crystalline Der p 2 atomic coordinates appear to be promising.

Pyroglyphidae/chemistry/immunology↗

Influence of excess diamine on properties of PMR polyimide resins and composites

By varying the stoichiometry of the reactants in the preparation of PMR polyimide resin, changes occur in molecular weight distribution which influence the rheological properties and thus the processability of the resin, as well as the mechanical properties of the composite. The influence of 1-10 percent molar excess MDA on the molecular weight distribution and rheological properties of an imidized PMR system were exposed. Molecular weight distribution is characterized by gel permeation chromatography of the imidized molding compound; shear viscosity is related to changes in average molecular weight. The thermo-oxidative stability at 600 F, glass transition temperature, flexural and interlaminar shear properties of PMR polyimide/Celion 6000 graphite fiber composites are compared as a function of the percent excess MDA in the monomer reactant mixture.

Hurwitz, F. I.↗

Influence of excess diamine on properties of PMR polyimide resins and composites

This preliminary study explores the influence of 1-10 percent molar excess MDA on the molecular weight distribution and rheological properties of an imidized PMR system. Molecular weight distribution is characterized by gel permeation chromatography of the imidized molding compound; shear viscosity is related to changes in average molecular weight. The thermo-oxidative stability at 600 F glass transition temperature, flexural and interlaminar shear properties of PMR polyimide/Celion 6000 graphite fiber composites are compared as a function of the percent excess MDA in the monomer reactant mixture.

Hurwitz, F. I.↗

NASA multipurpose airborne DIAL system and measurements of ozone and aerosol profiles

The hardware, operational characteristics, data processing system, and applications of the NASA airborne differential absorption lidar (DIAL) system are described. DIAL functions by assessing the average gas concentration over a specified range interval by analyzing the difference in lidar backscatter signals for laser wavelengths tuned on and off of the molecular absorption line of a gas under investigation. The system comprises two frequency-doubled Nd:YAG lasers pumping two high conversion efficiency tunable dye lasers emitting pulses separated by 100 microsec or less. The return signals are digitized and stored on magnetic tape. The signal collector consists of photomultiplier tubes implanted in a cassegrain telescope. Flight tests of the system involved on-measurements at 285.95 nm and off-measurements at 299.40 nm, which yielded a differential cross section of 1.74 x 10 to the -16th sq cm. In situ measurements with another plane at a nominal altitude of 3.2 km for comparison purposes showed accuracy to within 10% in and above the boundary layer. The system is considered as a test apparatus for more developed versions to be flown on the Shuttle

Browell, E. V.↗

Characterization of graded interface In(x)Ga(1-x)As/In(0.52)Al(0.48)As (x between 0.53 and 0.70) structures grown by molecular-beam epitaxy

Modulation-doped In(x)Ga(1-x)As/In(0.52)Al(0.48)As/InP structures were grown by molecular-beam epitaxy with x values between 53 and 70 percent. For pseudomorphic cases, graded instead of abrupt interfaces were used. Hall mobility and persistent photoconductivity measurements as a function of temperature were used to characterize samples with different structural parameters. Consistent trends in the variation of mobilities and two-dimensional carrier concentration, n(2D), under light and dark conditions have been observed and discussed in terms of applicable scattering mechanisms. The Hall mobilities are comparable to the best results obtained to date but with significantly higher n(2D) concentration.

Peng, C. K.↗

Chemical and Thermal Analysis

Work during the past three years has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) for pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-Ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted changes in the molecular weight distribution and the increased crosslinking of the Coflon material using Gel Permeation Chromatographic Analysis. Again these changes may result in variations in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, and Differential Scanning Calorimetry. We investigated a plethora of aged samples of both Tefzel and Coflon that were forwarded from MERL. Pressurized tests were performed on powdered PVDF in a modified Fluid A, which we will call A-2. In this case the ethylene diamine concentration was increased to 3 percent in methanol. Coflon pipe sections and powdered Coflon were exposed in pressure cells at 1700 psi at three separate test temperatures.

Bulluck, J. W.↗

Chemical and Thermal Analysis

Work has included significant research in several areas aimed at further clarification of the aging and chemical failure mechanism of thermoplastics (PVDF or Tefzel) for pipes. Among the areas investigated were the crystallinity changes associated with both the Coflon and Tefzel after various simulated environmental exposures using X-Ray diffraction analysis. We have found that significant changes in polymer crystallinity levels occur as a function of the exposures. These crystallinity changes may have important consequences on the fracture, fatigue, tensile, and chemical resistance of the materials. We have also noted changes in the molecular weight distribution of the Coflon material using a dual detector Gel Permeation Analysis. Again these changes may result in variation in the mechanical and chemical properties in the material. We conducted numerous analytical studies with methods including X-Ray Diffraction, Gel Permeation Chromatography, Fourier Transform Infrared Spectroscopy, Thermogravimetric Analysis, and Differential Scanning Calorimetry. We investigated a number of aged samples of both Tefzel and Coflon that were forwarded from MERL. Pressurized tests were performed in a modified Fluid G, which we will call G2. In this case the ethylene diamine concentration was increased to 3 percent in methanol. Coflon pipe sections and powdered Coflon were exposed in pressure cells at 1700 psi at three separate test temperatures, 70 C, 110 C, and 130 C. The primary purpose of the pressure tests in Fluid G2 was to further elucidate the aging mechanism of PVDF degradation.

Bulluck, J. W.↗

Micro-Detection System for Determination of the Biotic or Abiotic Origin of Amino Acids

The research carried out under this PIDDP involves the development of a breadboard version of a spacecraft-based system for the detection of amino acid chirality (molecular handedness) on solar system bodies. Chirality provides an unambiguous way of distinguishing between abiotic and biotic origins since only one mirror-image form is used in the functional molecules of life. Recent advances in a variety of nano-fabrication technologies have resulted in concepts for enabling miniaturized chemical and biological analytical systems. These are complete application-specific systems that integrate fluid micro handling systems for extracting and reacting target molecules, micro-separation technologies for enhanced sensitivity and resolution, and advanced detection technologies. This effort makes use of a relatively new technology that shows demonstrated promise for spacecraft-based amino acid analysis: microchip-based capillary electrophoresis (μCE). The μCE system is capable of analyzing the type of amino acids present as well as the relative amounts of their mirror image forms. The system we developed will be able to chirally resolve all of the major amino acids found in extraterrestrial material (Gly, Ala, Val, Pro, Asp, Glu, a-aminoisobutyric acid, and isovaline) at sub-part-per-billion levels. The -CE analysis requires that the amino acids be extracted from the sample and derivatized for either optical or electrochemical detection. In our implementation, the amino acids are released from the sample by sublimation and prepared for μCE analysis using a microfluidic circuit. In addition, we have investigated the use of a microfluidic circuit for the release of amino acids from samples in which sublimation has proven to be problematic.

Jeffrey L Bada↗

Assessment of Remote Sensing Technologies for Location of Hydrogen and Helium Leaks

The objective of this initial phase of this research effort is to: 1) Evaluate remote sensing technologies for location of leaks of gaseous molecular hydrogen (H2) and gaseous helium (He) in air, for space transportation applications; and 2) Develop a diffusion model that predicts concentration of H2 or He gas as a function of leak rate and distance from the leak.

Sellar, R. Glenn↗

Laser Ablation Increases PEM/Catalyst Interfacial Area

An investigational method of improving the performance of a fuel cell that contains a polymer-electrolyte membrane (PEM) is based on the concept of roughening the surface of the PEM, prior to deposition of a thin layer of catalyst, in order to increase the PEM/catalyst interfacial area and thereby increase the degree of utilization of the catalyst. The roughening is done by means of laser ablation under carefully controlled conditions. Next, the roughened membrane surface is coated with the thin layer of catalyst (which is typically platinum), then sandwiched between two electrode/catalyst structures to form a membrane/ele c t - rode assembly. The feasibility of the roughening technique was demonstrated in experiments in which proton-conducting membranes made of a perfluorosulfonic acid-based hydrophilic, protonconducting polymer were ablated by use of femtosecond laser pulses. It was found that when proper combinations of the pulse intensity, pulse-repetition rate, and number of repetitions was chosen, the initially flat, smooth membrane surfaces became roughened to such an extent as to be converted to networks of nodules interconnected by filaments (see Figure 1). In further experiments, electrochemical impedance spectroscopy (EIS) was performed on a pristine (smooth) membrane and on two laser-roughened membranes after the membranes were coated with platinum on both sides. Some preliminary EIS data were interpreted as showing that notwithstanding the potential for laser-induced damage, the bulk conductivities of the membranes were not diminished in the roughening process. Other preliminary EIS data (see Figure 2) were interpreted as signifying that the surface areas of the laser-roughened membranes were significantly greater than those of the smooth membrane. Moreover, elemental analyses showed that the sulfur-containing molecular groups necessary for proton conduction remained intact, even near the laser-roughened surfaces. These preliminary results can be taken as indications that laser-roughened PEMs should function well in fuel cells and, in particular, should exhibit current and power densities greater than those attainable by use of smooth membranes.

Whitacre, Jay↗

Sensitivity analysis in multipole-accelerated panel methods for potential flow

In the design of an airframe, the effect of changing the geometry on resulting computations is necessary for design optimization. The geometry is defined in terms of a series of design variables, including design variables to define the wing planform, tail, canard, pylon, and nacelle. Design optimization in this research is based on how these design variable affect the potential flow. The potential flow is computed as a function of the geometry and location of a series of panels describing the airframe, which are in turn a function of the design variables. Multipole accelerated panel methods improve the computational complexity of the problem and thus are an attractive approach. To utilize the methods in design optimization, it was necessary to define the appropriate sensitivity derivatives. The overhead incurred from finding the sensitivity derivatives in conjunction with the original computation should be small. This research developed the background for multipole-accelerated panel methods and the framework for finding sensitivity derivatives in the methods. Potential flow panel codes are commonly used for powered-lift aerodynamic predictions for three dimensional geometries. Given an airframe which has been discretized into a series of panels to define the airframe geometry, potential is computed as a function of the influence of all panels on all other panels. This is a computationally intensive problem for which efficient solutions are desired to improve the computational time and to allow greater resolution by use of more panels. One such solution is the use of hierarchical multipole methods which entail approximations of the effects of far-field terms. Hierarchical multipole methods have become prevalent in molecular dynamics and gravitational physics, and have been introduced into the fields of capacitance calculations, computational fluid dynamics, and electromagnetics. The methods utilize multipole expansions to describe the effect of bodies (i.e. particles, astrophysical bodies, panels, etc.) within a sphere on points distant from the sphere, where the influence diminishes as a function of distance. The expansions are exact with infinite series, however, for practical computations, the series are truncated and accuracy is selected based on the number of terms retained in the expansions. A hierarchical tree structure groups bodies together based on proximity to allow definition of multipole expansions for each group. The multipole expansions are then used to compute the effect of the bodies in a group on distant bodies.

Leathrum, James F., Jr.↗

Enhancing Adhesion: Relative Merits of Different Approaches

Adhesive performance is improved mainly by manipulation of the bimaterials interface zone, which is only a few molecules thick. There are three approaches to enhancement of interfacial adhesion at the molecular level. They are 1) changing the nonchemically bonded interactions across the interface from weak ones to strong ones, 2) making the true interfacial area much larger than the simple geometric area, and 3) inducing chemical bonding between the two materials forming the interface. Our goal this summer was to question some of the built-in assumptions contained within these approaches and to determine the most promising approach, both theoretically and practically, for enhancing adhesion in NASA structures. Our computations revealed that all three of these approaches have, in theory, the potential to enhance molecular adhesion approximately ten-fold. Experiments, however, revealed that this excellent level of enhancement is not likely to be reached in practice. Each approach was found to be severely limited by practical problems. In addition, some of the built-in assumptions associated with these approaches were found to be insufficient or inadequate. The first approach, changing the nonchemically bonded interactions from weak to strong, Is an example of one containing inadequate assumptions. The extensive literature on intermolecular interactions, based on solution studies, shows that certain functional group pairs interact much more strongly than others. It has always been assumed that these data can be reliably extended to systems where only one member of the pair is in solution and the other Is contained in a solid surface. Our experiments this summer demonstrated that solution data do not adequately predict the strength of functional group interaction at the solid-liquid interface. Furthermore, the strong solvents needed to dissolve the monomers or polymers to which the functional groups of interest are attached compete successfully with the solid surface for the functional group. As a result, functional groups in solution cannot pair with the complementary groups in the solid surface, and the expected enhancement of nonchemically bonded interactions is not realized. The second approach, increasing the true interfacial area, is an example of one containing inadequate assumptions and suffering from numerous practical problems. First, practitioners have assumed that material removal, such as bead blasting or etching, increases true surface area (and therefore interfacial area) in a meaningful way. Our geometric analysis demonstrated that removal methods increase area by a factor of two at most. To increase interfacial area by an order of magnitude or more. a thin layer of high porosity must be added to the substrate surface prior to application of the adhesive phase. Consistent with this finding, we attempted to create a thin layer of rigid, highly porous glass on the surface of our smooth glass substrate by means of sol-gel technology. We were unable to surmount a wide variety of practical problems and obtained only collapsed, nonporous layers. Thus this approach, appealing in principle, would require long term development and is not promising in the near term. The third approach, inducing chemical bonding at the interface, is an example of one having neither inadequate assumptions nor insurmountable practical problems. When silicate glass is the substrate, there are only a few chemical reactions that can be successfully conducted to create these chemical bonds, and these reactions usually involve silicon-containing reagents. We compared the silazane reagents to the silane reagents and found through experiment that the silazanes react with the glass surface much more readily, and under milder conditions, than the silanes. The functional groups attached to the glass surface by silazane reactions were not able to be removed by solvent extraction, elevated temperature exposure, or mechanical action. This clearly indicates that the formation of chemical bonds at the interface is the most effective approach for enhancing molecular adhesion.

Penn, L. S.↗

Measurable characteristics of lysozyme crystal growth

The behavior of protein crystal growth is estimated from measurements performed at both the microscopic and molecular levels. In the absence of solutal flow, it was determined that a model that balances the macromolecular flux toward the crystal surface with the flux of the crystal surface well characterizes crystal growth observed using microscopic methods. Namely, it was determined that the model provides accurate estimates for the crystal-growth velocities upon evaluation of crystal-growth measurements obtained in time. Growth velocities thus determined as a function of solution supersaturation were further interpreted using established deterministic models. From analyses of crystal-growth velocities, it was found that the mode of crystal growth varies with respect to increasing solution supersaturation, possibly owing to kinetic roughening. To verify further the hypothesis of kinetic roughening, crystal growth at the molecular level was examined using atomic force microscopy (AFM). From the AFM measurements, it was found that the magnitude of surface-height fluctuations, h(x), increases with increasing solution supersaturation. In contrast, the estimated characteristic length, xi, decreases rapidly upon increasing solution supersaturation. It was conjectured that the magnitude of both h(x) and xi could possibly determine the mode of crystal growth. Although the data precede any exact theory, the non-critical divergence of h(x) and xi with respect to increasing solution supersaturation was nevertheless preliminarily established. Moreover, approximate models to account for behavior of both h(x) and xi are also presented.

Muramidase/chemistry↗

In-situ ellipsometric studies of optical and surface properties of GaAs(100) at elevated temperatures

A rotating-polarizer ellipsometer was attached to an ultrahigh vacuum (UHV) chamber. A GaAs(100) sample was introduced into the UHV chamber and heated at anumber of fixed elevated temperatures, without arsenic overpressure. In-situ spectroscopic ellipsometric (SE) measurements were taken, through a pair of low-strain quartz windows, to monitor the surface changes and measure the pseudodielectric functions at elevated temperatures. Real-time data from GaAs surface covered with native oxide showed clearly the evolution of oxide desorption at approximately 580 C. In addition, surface degradation was found before and after the oxide desorption. An oxide free and smooth GaAs surface was obtained by depositing an arsenic protective coating onto a molecular beam epitaxy grown GaAs surface. The arsenic coating was evaporated immediately prior to SE measurements. A comparison showed that our room temperature data from this GaAs surface, measured in the UHV, are in good agreement with those in the literature obtained by wet-chemical etching. The surface also remained clean and smooth at higher temperatures, so that reliable temperature-dependent dielectric functions were obtained.

Yao, Huade↗

Magnetism, dimensional changes, and magnetic transitions in hydrated cesium manganese chloride

Dimensional changes (strain) along the three principal crystal axes of the antiferromagnet CsMnCl3-2H2O are studied as a function of magnetic field and temperature in the antiferromagnetic, spin flopped, and paramagnetic phases. Changes in dimensions through the phase transitions between the magnetic states are examined. By applying the molecular field model and utilizing all available information, magnetic properties of CsMnCl3-2H2O are determined. The possible usefulness of this material in a magnetic refrigeration cycle is evaluated.

Woollam, J. A.↗

Time correlation functions in classical dense fluids

The velocity autocorrelation functions and memory functions of dense classical fluids may be directly obtained from the static radial distribution function g(r) in an approximate way. Following the Mori projection operator formalism, the memory functions may be related to the fluctuating force correlation. At low densities, these functions may be evaluated by following the trajectories of particle pairs in the interatomic potential. At higher densities, the force correlation functions can be evaluated approximately from particle pair trajectories via the potential of the mean force. The results for argon fluids at various densities and temperatures agree satisfactorily with the molecular dynamics and the Enskog values. The decrease of the diffusion coefficient with density is partly due to the nature of g(r) which reflects the stronger clustering of atoms at higher densities.

Tsang, T.↗