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All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Theoretical study of cathode surfaces and high-temperature superconductors

Calculations are presented for the work functions of BaO on W, Os, Pt, and alloys of Re-W, Os-W, and Ir-W that are in excellent agreement with experiment. The observed emission enhancement for alloy relative to tungsten dispenser cathodes is attributed to properties of the substrate crystal structure and explained by the smaller depolarization of the surface dipole on hexagonal as compared to cubic substrates. For Ba and BaO on W(100), the geometry of the adsorbates has been determined by a comparison of inverse photoemission spectra with calculated densities of unoccupied states based on the fully relativistic embedded cluster approach. Results are also discussed for models of scandate cathodes and the electronic structure of oxygen on W(100) at room and elevated temperatures. A detailed comparison is made for the surface electronic structure of the high-temperature superconductor YBa2Cu3O7 as obtained with non-, quasi-, and fully relativistic cluster calculations.

Mueller, Wolfgang↗
NASA NTRS1996

CVD Of Thin Films From Single Organometallic Precursors

Method of forming thin inorganic films involves chemical vapor deposition (CVD) from single organometallic precursors. No toxic constituents, minimizes impurities, and yields films having substantially uniform crystal structure and composition. Especially suitable for depositing high-quality passivating or buffer layers of GaS on GaAs semiconductor substrates. Also applicable to formation of high-quality films for purposes other than buffering or passivation, and to different materials in which another element from same group in periodic table of elements substituted for all or portion of each element in GaS/GaAs system.

Hepp, Aloysius F.↗
NASA NTRS1996

Development and Processing of Nickel Aluminide-Carbide Alloys

With the upper temperature limit of the Ni-based superalloys attained, a new class of materials is required. Intermetallics appear as likely candidates because of their attractive physical properties. With a relatively low density, high thermal conductivity, excellent oxidation resistance, high melting point, and simple crystal structure, nickel aluminide (NiAl) appears to be a potential candidate. However, NiAl is limited in structural applications due to its low room temperature fracture toughness and poor elevated temperature strength. One approach to improving these properties has been through the application of eutectic composites. Researchers have shown that containerless directional solidification of NiAl-based eutectic alloys can provide improvement in both the creep strength and fracture toughness. Although these systems have shown improvements in the mechanical properties, the presence of refractory metals increases the density significantly in some alloys. Lower density systems, such as the carbides, nitrides, and borides, may provide NiAl-based eutectic structure. With little or no information available on these systems, experimental investigation is required. The objective of this research was to locate and develop NiAl-carbide eutectic alloys. Exploratory arc-melts were performed in NiAl-refractory metal-C systems. Refractory metal systems investigated included Co, Cr, Fe, Hf, Mo, Nb, Ta, Ti, W, and Zr. Systems containing carbides with excellent stability (i.e.,HfC, NbC, TaC, TiC, and ZrC) produced large blocky cubic carbides in an NiAl matrix. The carbides appeared to have formed in the liquid state and were randomly distributed throughout the polycrystalline NiAl. The Co, Cr, Fe, Mo, and W systems contained NiAl dendrites with a two-phase interdendritic microconstituent present. Of these systems, the NiAl-Mo-C system had the most promising microstructure for in-situ composites. Three processing techniques were used to evaluate the NiAl-Mo-C system: arc-melting, slow cooling, and containerless directional solidification. Arc-melting provided a wide range of compositions in an economical and simple fashion. The slow cooled ingots provided larger ingots and slower cooling rates than arc-melting. Directional solidification was used to produce in-situ composites consisting of NiAl reinforced with molybdenum carbides.

Newport, Timothy Scott↗
NASA NTRS1994

Scanning and Transmission Electron Microscopy of High Temperature Materials

Software and hardware updates to further extend the capability of the electron microscope were carried out. A range of materials such as intermetallics, metal-matrix composites, ceramic-matrix composites, ceramics and intermetallic compounds, based on refractory elements were examined under this research. Crystal structure, size, shape and volume fraction distribution of various phases which constitute the microstructures were examined. Deformed materials were studied to understand the effect of interfacial microstructure on the deformation and fracture behavior of these materials. Specimens tested for a range of mechanical property requirements, such as stress rupture, creep, low cycle fatigue, high cycle fatigue, thermomechanical fatigue, etc. were examined. Microstructural and microchemical stability of these materials exposed to simulated operating environments were investigated. The EOIM Shuttle post-flight samples were also examined to understand the influence of low gravity processing on microstructure. In addition, fractographic analyses of Nb-Zr-W, titanium aluminide, molybdenum silicide and silicon carbide samples were carried out. Extensive characterization of sapphire fibers in the fiber-reinforced composites made by powder cloth processing was made. Finally, pressure infiltration casting of metal-matrix composites was carried out.

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NASA NTRS1997

Rare Earth Element Partition Coefficients from Enstatite/Melt Synthesis Experiments

Enstatite (En(80)Fs(19)Wo(01)) was synthesized from a hypersthene normative basaltic melt doped at the same time with La, Ce, Nd, Sm, Eu, Dy, Er, Yb and Lu. The rare earth element concentrations were measured in both the basaltic glass and the enstatite. Rare earth element concentrations in the glass were determined by electron microprobe analysis with uncertainties less than two percent relative. Rare earth element concentrations in enstatite were determined by secondary ion mass spectrometry with uncertainties less than five percent relative. The resulting rare earth element partition signature for enstatite is similar to previous calculated and composite low-Ca pigeonite signatures, but is better defined and differs in several details. The partition coefficients are consistent with crystal structural constraints.

Schwandt, Craig S.↗
NASA NTRS1997

Organometallic Polymeric Conductors

For aerospace applications, the use of polymers can result in tremendous weight savings over metals. Suitable polymeric materials for some applications like EMI shielding, spacecraft grounding, and charge dissipation must combine high electrical conductivity with long-term environmental stability, good processability, and good mechanical properties. Recently, other investigators have reported hybrid films made from an electrically conductive polymer combined with insulating polymers. In all of these instances, the films were prepared by infiltrating an insulating polymer with a precursor for a conductive polymer (either polypyrrole or polythiophene), and oxidatively polymerizing the precursor in situ. The resulting composite films have good electrical conductivity, while overcoming the brittleness inherent in most conductive polymers. Many aerospace applications require a combination of properties. Thus, hybrid films made from polyimides or other engineering resins are of primary interest, but only if conductivities on the same order as those obtained with a polystyrene base could be obtained. Hence, a series of experiments was performed to optimize the conductivity of polyimide-based composite films. The polyimide base chosen for this study was Kapton. 3-MethylThiophene (3MT) was used for the conductive phase. Three processing variables were identified for producing these composite films, namely time, temperature, and oxidant concentration for the in situ oxidation. Statistically designed experiments were used to examine the effects of these variables and synergistic/interactive effects among variables on the electrical conductivity and mechanical strength of the films. Multiple linear regression analysis of the tensile data revealed that temperature and time have the greatest effect on maximum stress. The response surface of maximum stress vs. temperature and time (for oxidant concentration at 1.2 M) is shown. Conductivity of the composite films was measured for over 150 days in air at ambient temperature. The conductivity of the films dropped only half an order of magnitude in that time. Films aged under vacuum at ambient temperature diminished slightly in conductivity in the first day, but did not change thereafter. An experimental design approach will be applied to maximize the efficiency of the laboratory effort. The material properties (initial and long term) will also be monitored and assessed. The experimental results will add to the existing database for electrically conductive polymer materials. Attachments: 1) Synthesis Crystal Structure, and Polymerization of 1,2:5,6:9,10-Tribenzo-3,7,11,13-tetradehydro(14) annulene. 2) Reinvestigation of the Photocyclization of 1,4-Phenylene Bis(phenylmaleic anhydride): Preparation and Structure of (5)Helicene 5,6:9,10-Dianhydride. 3) Preparation and Structure Charecterization of a Platinum Catecholate Complex Containing Two 3-Ethynyltheophone Groups. and 4) Rigid-Rod Polymers Based on Noncoplanar 4,4'-Biphenyldiamines: A Review of Polymer Properties vs Configuration of Diamines.

Youngs, Wiley J.↗
NASA NTRS1961

A Method for the Calculation of Lattice Energies of Complex Crystals with Application to the Oxides of Molybdenum

A theoretical study has been made of molybdenum dioxide and molybdenum trioxide in order to extend the knowledge of factors Involved in the oxidation of molybdenum. New methods were developed for calculating the lattice energies based on electrostatic valence theory, and the coulombic, polarization, Van der Waals, and repulsion energie's were calculated. The crystal structure was examined and structure details were correlated with lattice energy.

Chaney, William S.↗
NASA NTRS1997

Scientific Applications of Optical Instruments to Materials Research

Microgravity is a unique environment for materials and biotechnology processing. Microgravity minimizes or eliminates some of the effects that occur in one g. This can lead to the production of new materials or crystal structures. It is important to understand the processes that create these new materials. Thus, experiments are designed so that optical data collection can take place during the formation of the material. This presentation will discuss scientific application of optical instruments at MSFC. These instruments include a near-field scanning optical microscope, a miniaturized holographic system, and a phase-shifting interferometer.

Witherow, William K.↗
NASA NTRS1998

New AFM Techniques for Investigating Molecular Growth Mechanisms of Protein Crystals

Atomic Force Microscopy (AFM) has emerged as a powerful technique for investigating protein crystal growth. Earlier AFM studies were among the first to demonstrate that these crystals grew by dislocation and 2D nucleation growth mechanisms [1]. These investigations were restricted to the micron range where only surface features, such as dislocation hillocks and 2D islands are visible. Most AFM instruments can scan at higher resolutions and have the potential to resolve individual protein molecules at nanometer ranges. Such scans are essential for determining the molecular packing arrangements on crystal faces and for probing the growth process at the molecular level. However, at this resolution the AFM tip influences the image produced, with the resulting image being a convolution of the tip shape and the surface morphology [2]. In most studies this problem is resolved by deconvoluting the image to obtain the true surface morphology. Although deconvolution routines work reasonably well for simple one- dimensional shapes, for complex surfaces this approach does not produce accurate results. In this study we devised a new approach which takes advantage of the precise molecular order of crystal surfaces, combined with the knowledge of individual molecular shapes from the crystallographic data of the protein and the AFM tip shape. This information is used to construct expected theoretical AFM images by convoluting the tip shape with the constructed crystal surface shape for a given surface packing arrangement. By comparing the images from actual AFM scans with the constructed ones for different possible surface packing arrangements, the correct packing arrangement can be conclusively determined. This approach was used in this study to determine the correct one from two possible packing arrangements on (I 10) faces of tetragonal lysozyme crystals. Another novel AFM technique was also devised to measure the dimension of individual growth units of the crystal faces. Measuring these units was not attempted before and most studies have assumed that the growth unit consisted of individual protein molecules. The linescan mode of AFM instruments allows the crystal surface to be scanned along a single line. By scanning across a growth step an image showing the motion of the step is obtained. Normally such an image shows a straight line for continuous and constant step velocity. In this study by increasing the scan rate and by decreasing the step velocity (by decreasing the supersaturation), we were able to capture images of individual growth events, shown by jump discontinuities in the step line. By suitable integration of the image the growth unit dimension in the scanned direction can be obtained. Since multiple units can be involved in the growth process it is necessary to collect a statistically relevant sample before drawing conclusions about the growth mechanism. This technique was successfully employed to obtain the dimensions of growth units for the (110) face, showing that they consisted of various aggregates corresponding to the 43 helices in the crystal structure.

Li, Huayu↗
NASA NTRS2000

Gravity-Related Transport Process in Off-Axis Sputtering Deposition

In the synthesis of epitaxial oxide films, reactive off-axis sputtering deposition techniques have demonstrated the advantages of fabricating high quality epitaxial films. Due to the collisions between the sputtered species and the residue gases, the kinetic energy of species was reduced and the transport of depositing species changed from a ballistic movement to a diffusive drift in which the transport species were almost thermalized. A gravity effect could appear in the transport process. Three transport regimes were observed when the growth pressures vary from 5 mTorr to 150 mTorr. Film growth rate, depositing orientations, crystal structure, surface morphology, and compositions were characterized. A gravity related phenomenon was revealed in film growth at the relative low growth pressures.

Zhu, Shen↗
NASA NTRS1960

Thermal Design of the Micrometeoroid Satellite S-55

The thermal design of the micrometeoroid satellite S-55 involves both experimental and analytical approaches in selecting materials and coatings. A cutaway drawing of the S-55 satellite is shown. The purpose of which is to obtain scientific and engineering design data on the frequency and penetration hazard of micrometeoroids at altitudes between about 250 nautical miles and 700 nautical miles. The passive method of thermal control used involves the selection of materials and coatings that give the desired ratio of absorptivity to emissivity alpha/epsilon for keeping the telemetry temperature within narrow limits and also to prevent overheating of the separate experiments. The selection of a material or coating for this purpose, however, is dictated not only by its absorptivity and emissivity values, but also by its reliability and the constancy of these values under long exposure to the space environment. Several test programs have been conducted in order to evaluate the materials and coatings being considered. Some of these are as follows: (1) Ultraviolet radiation in a vacuum to study discoloration and weight change. (2) Solar radiation in a vacuum to determine maximum equilibrium temperature, discoloration, and weight loss. (3) Thermal cycling and thermal shock to study material integrity (leaking, spalling, melting, etc.). (4) Proton radiation to observe effects on color, crystal structure, and strength. (5) Determination of effects of heat associated with coating application on the leak rate of pressurized parts. (6) Absorptivity and emissivity measurements. The experimental tests outlined and the maximum use of coating methods successfully employed on previous satellites should provide high reliability of the material used for the thermal design of this vehicle. A theoretical analysis was made to determine the values of alpha/epsilon required for different areas in order that the telemetry remain within the desired temperature limits.

Hastings, Earl C., Jr.↗
NASA NTRS2001

Interfacial Surgery Determination of Succinonitrile and Succinonitrile-Acetone Alloy Using Surface Light Scattering Spectrometer

The objectives of this ground based research is to measure the liquid/vapor interfacial surface energies of succinonitrile (SCN) and alloys of succinonitrile and acetone using Surface Light Scattering Spectrometer. Liquid/vapor interfacial energy measurements will be made near and above the melting point and are the primary goal of this proposal. A measurement of viscosity also results from the Surface Light Scattering technique employed. Interfacial free energies between the phases enters into many analysis of phase transformation and flow, including nucleation, dendritic growth, interface stability, Ostwald ripening, and Marangoni flow. Succirionitrile (SCN) is useful as a model for the study of metal solidification, although it is an organic material, it has a BCC crystal structure and solidifies dendriticly like a metal. It is also transparent and has a low melting point (58.08 C). Succinonitrile has been and is being used extensively in NASAs Microgravity Materials Science and Fluid Physics programs and as well as in several ground-based and microgravity studies including the Isothermal Dendritic Growth Experiment (IDGE) due to Glicksman and coworkers and subsequently in several theoretical and numerical studies of dendritic growth. Previous measurements of succinonitrile (SCN) and alloys of succinonitrile and acetone surface tensions are extremely limited. We believe the data sought through this proposal have significant basic physical property data value and thus the work proposed will provide needed data in support of NASAs Microgravity program research.

Tin, Padetha↗
NASA NTRS1995

Effect of Stacking Faults on the X-Ray Diffraction Profiles of Beta-SiC Powders

X-ray diffraction patterns or beta-SiC (3C or the cubic polytype or sic) powders often exhibit an additional peak at d = 0.266 nm, high background intensity around the (111) peak, and relative intensities for peaks which differ from those predicted from the crystal structure. Computer simulations were used to show that all these features are due to stacking faults in the powders and not due to the presence of other polytypes in the powders. Such simulations allow diffraction patterns to be generated for different types, frequencies, and spatial distribution or faults. Comparison of the simulation results to the XRD data indicates that the B-SiC particles consist either of heavily faulted clusters distributed irregularly between regions that have only occasional faults or twins, or the powders consist of two types of particles with different populations of faults: those with a high density of faults and those with only twins or occasional faults. Additional information is necessary to determine which description is correct. However, the simulation results can be used to rule out certain fault configurations.

Pujar, Vijay V.↗
NASA NTRS2000

CHEMIN: A Mineralogical Dust Analyzer for the Odyssey Mission to Comet Kopff

The Odyssey spacecraft will be launched in June 2006 and will rendezvous with periodic Comet Kopff in September 2009. Odyssey will initially perform slow flybys of the active Kopff nucleus at distances between 500 and 100 km, and will then be placed in orbit around the nucleus at altitudes between 200 and 50 km. Odyssey's scientific payload of seven instruments includes CHEMIN, a mineralogical dust analyzer, which will make the first direct measurements of the crystal structure and elemental composition of cometary dust. CHEMIN will simultaneously perform X-ray Diffraction and X-ray Fluorescence (XRD/XRF) of individual 1-100 micron dust particles collected passively as the spacecraft is immersed in the comet's coma. The instrument has the geometry of a microfocus X-ray camera, with a postage stamp-sized energy-discriminating CCD in place of the film, and a miniature Cu target X-ray tube as the X-ray source. The CHEMIN flight instrument will weigh less than 2 kg., will have a total volume of about 1 liter, and will operate on 3 watts of power. Individual analyses will require 1-2 hours. XRD maxima from 5 to 65 degrees two-theta will be collected, encompassing definitive peaks for all known minerals. XRF data will be simultaneously collected for elements C through U. The instrument has sufficient resolution to allow Rietveld refinement of the diffraction data. Rock types as complex as basalt have been quantitatively analyzed using a CHEMIN laboratory prototype. Selected examples of diffraction experiments performed on more than 30 minerals and rock types by the CHEMIN laboratory prototype will be discussed.

Blake, David↗
NASA NTRS2001

Embedded Coplanar Strips Traveling-Wave Photomixers

The electric field distribution in photomixers with electrodes deposited on the surface has already been calculated. It was shown that the strength of the electric field diminishes rapidly with depth. It was argued that the resulting reduction of the effective interaction volume of the device lowers the optical-to-heterodyne conversion. In this paper, we will present the results of our investigation on the influence of the electrode placement on the performance of photomixers. We have fabricated and measured traveling-wave photomixer devices which have both embedded and surface electrodes - the nominal spacing between the electrodes was 2 micrometers. Devices were made using either low-temperature-grown (LTG)-GaAs or ErAs:GaAs as the photoconductive material. The dark current, photocurrent, and radio frequency (RF) emission were measured at nominally 1 THz. The experimental data show a surprising difference in the behavior of ErAs:GaAs devices when the electrodes are embedded. A factor of two increase in RF radiation is observed for electric fields < 20 kV/cm. No such improvement was observed for the LTG-GaAs devices. We argue that the distinctive behavior of the two photoconductive materials is due to differences in the crystal structure - LTG-GaAs is isotropic, while ErAs:GaAs is uniaxial. We find that the carrier mobility in-plane (parallel) to the ErAs layers in the ErAs:GaAs superlattice is larger than orthogonal to these layers. The data indicate that carrier velocity overshoot is responsible for the excess radiation produced for the embedded electrode ErAs:GaAs devices.

Wyss, R. A.↗
NASA NTRS1996

In Situ Mineralogical Analysis of Planetary Materials Using X-Ray Diffraction and X-Ray Fluorescence

Remote observations of Mars have led scientists to believe that its early climate was similar to that of the early Earth, having had abundant liquid water and a dense atmosphere. One of the most fascinating questions of recent times is whether simple bacterial life developed on Mars (as it did on the Earth) during this early element period. Analyses of SNC meteorites have broadened considerably our knowledge of the chemistry of certain types of Martian rocks, underscoring the tantalizing possibility of early hydrothermal systems and even of ancient bacterial life. Detailed analyses of SNC meteorites in Terrestrial laboratories utilize the most sophisticated organic, isotopic and microscopic techniques in existence. Indeed; it is unlikely that the key biogenic indicators used in McKay et al (ibid) could be identified by a remote instrument on the surface of Mars. As a result, it is probable that any robotic search for evidence of an ancient Martian biosphere will have as its focus the identification of key minerals in likely host rocks rather than the direct detection of organic or isotopic biomarkers. Even on a sample return mission, mineralogical screening will be utilized to choose the most likely candidate rocks. X-ray diffraction (XRD) is the only technique that can provide a direct determination of the crystal structures of the phases present within a sample. When many different crystalline phases are present, quantitative analysis is better constrained if used in conjunction with a determination of elemental composition, obtainable by X-ray fluorescence (XRF) using the same X-ray source as for XRD. For planetary surface analysis, a remote instrument combining XRD and XRF could be used for mineralogical characterization of both soils and rocks. We are designing a remote XRD/XRF instrument with this objective in mind. The instrument concept pays specific attention to constraints in sample preparation, weight, volume, power, etc. Based on the geometry of a pinhole camera (transmission geometry, flat two-dimensional detector perpendicular to the direct beam), the instrument (which we call CHEMIN, for Chemistry and Mineralogy) uses an X-ray sensitive CCD detector which will allow concurrent positional and energy-dispersive analysis of collected photons. Thus XRF (energy) and XRD (geometry) analysis of transmitted X-rays will be performed at the same time. Tests performed with single minerals and simple mixtures give promising results. Refinements of the prototype promise interpretable results on complex samples.

Sarrazin, P.↗
NASA NTRS2002

Glennan Microsystems Initiative

During the 2001-2002 award period, we performed research on Pt/Ti/bare 6H-SiC and bare 4H-SiC interfaces in order to identify their electronic properties as a function of surface preparation. The overall aim of this work is to optimize the electronic properties of metal contacts to SiC as well as the active SiC material itself as a function of surface preparation and subsequent processing. Initially, this work has involved identifying bare surface, subsurface, and metal induced gap states at the metal-SiC contact and correlating energies and densities of deep levels with Schottky barrier heights. We used low energy electron-excited nanoluminescence (LEEN) spectroscopy, X-ray photoemission spectroscopy (XPS), and Secondary Ion Mass Spectrometry (SIMS) in order to correlate electronic states and energy bands with chemical composition, bonding, and crystal structure. A major development has been the discovery of polytype transformations that occur in 4H-SiC under standard microelectronic process conditions used to fabricate SiC devices. Our results are consistent with the stacking fault generation, defect formation, and consequent degradation of SiC recently reported for state-of-the-art ABB commercial diodes under localized electrical stress. Our results highlight the importance of -optimizing process conditions and material properties - anneal times, temperatures and doping to control such structural changes within epitaxial SiC layers. Thus far, we have established threshold times and temperatures beyond which 4H-SiC exhibits 3C-SiC transformation bands for a subset of dopant concentrations and process conditions. On the basis of this temperature time behavior, we have been able to establish an activation energy of approximately 2.5 eV for polytype transformation and dislocation motion. Work continues to establish the fundamental mechanisms underlying the polytype changes and its dependence on material parameters.

Brillson, Leonard J.↗
NASA NTRS1999

A Force to Reckon With

Through a licensing agreement with NASA, Face International Corporation has successfully commercialized ferroelectric actuator/sensor technology developed at Langley Research Center. Face International manufactures both ferroelectric actuators and sensors under the trademark "Thunder" (Thin Layer Composite Unimorph Ferroelectric Driver and Sensor). As actuators the Thunder technology provides a high level of movement not seen before in piezoelectric devices. Crystal structures generate electricity when stressed and move when voltage is applied. As sensors, the technology can be used in such applications as microphones, non-destructive testing, and vibration sensing. Thunder technology is being researched as a noise reduction device for aircraft engines. The technology is durable enough to be used in harsh environments, making it applicable to many commercial applications.

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