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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Molecular Dynamics Simulation of a Multi-Walled Carbon Nanotube Based Gear

We used molecular dynamics to investigate the properties of a multi-walled carbon nanotube based gear. Previous work computationally suggested that molecular gears fashioned from (14,0) single-walled carbon nanotubes operate well at 50-100 gigahertz. The gears were formed from nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. The gear in this study was based on the smallest multi-walled nanotube supported by some experimental evidence. Each gear was a (52,0) nanotube surrounding a (37,10) nanotube with approximate 20.4 and 16,8 A radii respectively. These sizes were chosen to be consistent with inter-tube spacing observed by and were slightly larger than graphite inter-layer spacings. The benzyne teeth were attached via 2+4 cycloaddition to exterior of the (52,0) tube. 2+4 bonds were used rather than the 2+2 bonds observed by Hoke since 2+4 bonds are preferred by naphthalene and quantum calculations by Jaffe suggest that 2+4 bonds are preferred on carbon nanotubes of sufficient diameter. One gear was 'powered' by forcing the atoms near the end of the outside buckytube to rotate to simulate a motor. A second gear was allowed to rotate by keeping the atoms near the end of its outside buckytube on a cylinder. The ends of both gears were constrained to stay in an approximately constant position relative to each other, simulating a casing, to insure that the gear teeth meshed. The stiff meshing aromatic gear teeth transferred angular momentum from the powered gear to the driven gear. The simulation was performed in a vacuum and with a software thermostat. Preliminary results suggest that the powered gear had trouble turning the driven gear without slip. The larger radius and greater mass of these gears relative to the (14,0) gears previously studied requires a smaller rotation rate and multiple rows of teeth to avoid excessive force on the gear teeth resulting, in slip and failure of the driven gear to turn. We hope that studies such as these will eventually lead to synthesis of components that can be assembled into atomically precise fullerene machines. These machines, in turn, may someday be used in machine-phase fullerene materials with remarkable properties.

Han, Jie↗
NASA NTRS1988

Interfaces in polymer, ceramic, and metal matrix composites; Proceedings of the Second International Conference on Composite Interfaces (ICCI-II), Cleveland, OH, June 13-17, 1988

The present conference on interfacial factors in advanced composite materials discusses such topics in their development status and properties as silane coupling, the electrochemical and plasma-surface treatment of carbon fibers, fiber surface-analytical techniques, polymer molecular scale characterization by atom-probe field-ion microscopy, the study of carbon fiber-epoxy resin interface interactions by means of labeling techniques, and the surface tailoring of SiC by ion implantation. Also discussed are developments in laser light-scattered photoelasticity, microstructural evolutions under heat treatment and radiation damage, TEM for composites, the interfaces of carbon fiber-reinforced Al composites, the influence of the interface on macroscopic composite properties, and the status of the theoretical understanding of composite interfaces.

Ishida, Hatsuo↗
NASA NTRS2004

High Pressure X-Ray Diffraction Studies of Nanocrystalline Materials

Experimental evidence obtained for a variety of nanocrystalline materials suggest that the crystallographic structure of a very small size particle deviates from that in the bulk crystals. In this paper we show the effect of the surface of nanocrystals on their structure by the analysis of generation and distribution of macro- and micro-strains at high pressures and their dependence on the grain size in nanocrystalline powders of Sic. We studied the structure of Sic nanocrystals by in-situ high-pressure powder diffraction technique using synchrotron and neutron sources and hydrostatic or isostatic pressure conditions. The diffraction measurements were done in HASYLAB at DESY using a Diamond Anvil Cell (DAC) in the energy dispersive geometry in the diffraction vector range up to 3.5 - 4/A and under pressures up to 50 GPa at room temperature. In-situ high pressure neutron diffraction measurements were done at LANSCE in Los Alamos National Laboratory using the HIPD and HIPPO diffractometers with the Paris-Edinburgh and TAP-98 cells, respectively, in the diffraction vector range up to 26 Examination of the response of the material to external stresses requires nonstandard methodology of the materials characterization and description. Although every diffraction pattern contains a complete information on macro- and micro-strains, a high pressure experiment can reveal only those factors which contribute to the characteristic diffraction patterns of the crystalline phases present in the sample. The elastic properties of powders with the grain size from several nm to micrometers were examined using three methodologies: (l), the analysis of positions and widths of individual Bragg reflections (used for calculating macro- and micro-strains generated during densification) [I], (2). the analysis of the dependence of the experimental apparent lattice parameter, alp, on the diffraction vector Q [2], and (3), the atomic Pair Distribution Function (PDF) technique [3]. The results of our studies show, that Sic nanocrystals have the features of two phases, each with its distinct elastic properties. and under pressures up to 8 GPa.

Palosz, B.↗
NASA NTRS1985

Teflon, Kapton surface and bulk effects

Two samples of 2 mil aluminized/Kapton thermal blanket and two samples of Teflon were received for evaluation. Their location on the solar maximum is given. The Kapton top layer of the thermal blanket had been exposed to the LEO atomic oxygen environment and shows the surface degradation due to atomic oxygen attack resulting in a diffuse character over most of the surface. The backside Kapton layer which was unexposed appeared to the eye to be in virgin condition. Another sample exhibited similar properties, but was, in large part, covered with Kapton adhesive tape and it was not possible to obtain usable specimens for analysis. One of the Teflon samples which was exposed shows signs of heavy degradation including attack on the Ag/Inconel backside by ultraviolet and atomic oxygen. The other Teflon sample which was unexposed was only slightly fogged on the Teflon side and the Ag/Inconel appeared untouched. These samples were subjected to several chemical and physical analyses, the results of which are discussed.

J C Robinson↗
NASA NTRS2001

Effect of Air and Vacuum Storage on the Degradation of X-Ray-Exposed Aluminized-Teflon Investigated

Metalized Teflon FEP (fluorinated ethylene propylene, DuPont), a common thermal control material, has been found to degrade in the low-Earth-orbit space environment. The aluminized-FEP (Al-FEP) exterior layer on the Hubble Space Telescope has become extremely embrittled, with extensive cracking occurring on all sides of the telescope. This embrittlement has been primarily attributed to radiation exposure (x-rays from solar flares, electron/proton radiation, and possibly near-ultraviolet radiation) combined with thermal cycling. Limited samples of FEP tested after long-term exposure to low Earth orbit on the Hubble Space Telescope and on the Long Duration Exposure Facility indicated that there might be continued degradation in tensile properties over time. An investigation was conducted at the NASA Glenn Research Center to evaluate the effect of air and vacuum storage on the mechanical properties of x-ray-exposed FEP. Aluminized-FEP (5-mil-thick) tensile samples were x-ray exposed with 15.3-kV copper xrays for 2 hr, reducing the percent elongation to failure by approximately 50 percent in comparison to that for pristine Al-FEP. X-ray-exposed samples were stored in air or under vacuum for various time periods to see the effect of storage on tensile properties. Tensile results indicated that samples stored in air had larger decreases in tensile properties than samples stored under vacuum had, as seen in the graph. Samples stored under vacuum (for up to 400 hr) showed no further decrease in tensile properties over time, whereas samples stored in air (for up to 900 hr) appeared to show decreases in tensile properties over time. X-ray-exposed samples stored in air developed a hazy appearance in the exposed area, as seen in the photographs. When the source of the haziness was evaluated using scanning electron microscopy and atomic force microscopy, it was found to reside at the Al/FEP interface as witnessed by an increased surface roughness of the aluminized side of the material and a dramatic decrease in the adhesion between the Al and FEP. Optical properties of air-stored irradiated samples showed an increase in the diffuse reflectance, which is consistent with observed roughening that was characterized by AFM. These findings indicate that air exposure helps degrade x-ray-irradiated FEP. These results indicate that proper sample handling and storage is necessary with space-retrieved materials and with those exposed to ground-based irradiation simulation exposures.

deGroh, Kim K.↗
NASA NTRS1975

Wear and interfacial transport of material

Bonding across the interface for two solids in contact and the subsequent transfer of material from one surface to another is a direct result of the interfacial bonds being stronger than the cohesive bonds in either of the two solids. Surface tools such as LEED, Auger emission spectroscopy, field ion microscopy, and the atom probe are used to examine adhesive contacts and to determine the direction, nature, quantity of material transfer and properties of the solids which effect transfer and wear. The electronic nature, cohesive binding energies, surface structure, lattice disregistry and distribution of species in surface layers are all found to effect adhesion and transfer or transport for clean surfaces in solid state contact. The influence of adsorbed and reacted surface films from fractions of a monolayer to multilayer reactive films are considered. It is shown that even fractions of a monolayer of surface active species such as oxygen and sulfur can markedly inhibit adhesion and transport.

Buckley, D. H.↗
NASA NTRS1975

Quantum chemical study of relative reactivities of a series of amines and nitriles - Relevance to prebiotic chemistry

Using the Iterative Extended Huckel Theory (IEHT) calculations of the electron distribution and orbital energies of a series of thirteen amines, nitriles and amino-nitriles relevant to prebiotic and cosmo-chemistry have been carried out. Ground state properties such as the energy and nature of the highest occupied (HOMO) and lowest empty (LEMO) molecular orbitals, net atomic charges and number of nonbonding electrons have been identified as criteria for correlating the relative nucleophilicity of amine and nitrile nitrogens and the electrophilicity of nitrile and other unsaturated carbon atoms. The results of such correlations can be partially verified by known chemical behavior of these compounds and are used to predict and understand their role in prebiotic organic synthesis.

Loew, G. H.↗
NASA NTRS1979

A method to estimate critical volumes

Methods for estimating the volume of the critical temperature used for the estimation of thermodynamic properties of substances are described. The possibility to estimate the critical temperature by using a combination of only eighteen atomic and structural contributions is shown. These contributions are listed and the critical temperature is given by a linear expression. By comparing the Vetere (1976) and Lydersen (1955) methods with the method discussed it is noted that while all three methods yield about the same average error (about 3%), the new method is superior in that it requires a smaller number of increments to fit data points.

Fedors, R. F.↗
NASA NTRS1987

Structure property behavior of polyimide siloxane segmented copolymers

Procedures were developed for preparing soluble fully imidized polyimide-polydimethyl siloxane segmented copolymers of wide ranging compositions. At low siloxane levels, the materails behave as modified polyimides. At higher concentrations, the materials are analogous to thermoplastic elastomers. Characterization by dynamic mechanical and thermal analysis methods will be reported along with an assesment of the bulk mechanical properties and the surface behavior. The surface behavior is particularly interesting since the materials can be tailored to have siloxane surfaces even at rather low siloxane contents. This influences a number of properties such as the coefficient of friction and, importanly, the degradation of these materials under aggressive oxygen environments (e.g., atomic oxygen, oxygen plasma).

Arnold, C. A.↗
NASA NTRS1989

Atomic oxygen effects on materials

Understanding of the basic processes of atomic oxygen interaction is currently at a very elementary level. However, measurement of erosion yields, surface morphology, and optical properties for low fluences have brought about much progress in the past decade. Understanding the mechanisms and those factors that are important for proper simulation of low Earth orbit is at a much lower level of understanding. The ability to use laboratory simulations with confidence to quantifiably address the functional performance and durability of materials in low Earth orbit will be necessary to assure long-term survivability to the natural space environment.

Banks, Bruce A.↗
NASA NTRS1987

The local interstellar medium

The structure of the local interstellar medium is reviewed with emphasis on the new observations of the cold neutral component. The properties of the high latitude molecular clouds are discussed as well as their relationship to the 'infrared cirrus' and atomic gas. The molecular clouds are shown to lie preferentially along the loops and filaments of local H I gas, but a detailed examination shows the CO and H I peaks are offset from one another. An expansion velocity of 7 km/s is derived for one of the shells, suggesting an expansion energy of about 8 x 10 to the 47th ergs, which is somewhat smaller than that expected for a supernova explosion. If the pressure in the clumps of the high latitude clouds is in equilibrium with the surrounding gas, the pressure in the shells is 10,000-100,000/cu cm K, an order of magnitude higher than what is generally argued to exist in the interstellar medium.

Blitz, Leo↗
NASA NTRS1989

Effects of thermochemistry, nonequilibrium, and surface catalysis on the design of hypersonic vehicles

An account is given of the function of physical aspects of a gas on the characteristics of the flow and of the heating associated with hypersonic flight. At the high temperatures encountered, the thermal and chemical characteristics of the air in a hypersonic vehicle's shock layer are altered in ways which depend on the atomic and molecular structure of N and O and their ions; similar effects exist in scramjet propulsion systems. These properties in turn influence the character of shock waves and expansions, and hence the pressure, temperature, and velocity distributions. Transport properties affecting the boundary-layer structure will also affect heat flux and shear stress.

Scott, Carl D.↗
NASA NTRS1991

Applying NASA's explosive seam welding

The status of an explosive seam welding process, which was developed and evaluated for a wide range of metal joining opportunities, is summarized. The process employs very small quantities of explosive in a ribbon configuration to accelerate a long-length, narrow area of sheet stock into a high-velocity, angular impact against a second sheet. At impact, the oxide films of both surface are broken up and ejected by the closing angle to allow atoms to bond through the sharing of valence electrons. This cold-working process produces joints having parent metal properties, allowing a variety of joints to be fabricated that achieve full strength of the metals employed. Successful joining was accomplished in all aluminum alloys, a wide variety of iron and steel alloys, copper, brass, titanium, tantalum, zirconium, niobium, telerium, and columbium. Safety issues were addressed and are as manageable as many currently accepted joining processes.

Bement, Laurence J.↗
NASA NTRS1992

Pluto's extended atmosphere - An escape model and initial observations

The observational determination of the extent, escape rate, and composition of Pluto's upper atmosphere is presently approached via calculations of the rates of production and hydrodynamic outflow of atomic H generated by methane photodissociation. Observations have been conducted with the IUE in order to detect atomic H's Lyman-alpha emission in the conjectured cloud; these results are used to derive cloud-property upper limits as a function of the extent of the cloud. It is concluded that the extent and density of the hydrogen atmosphere is more dependent on the escape process than on the atmospheric fraction of methane.

Clarke, John T.↗
NASA NTRS1994

Diffuse galactic continuum emission measured by COMPTEL and the cosmic-ray electron spectrum

Diffuse galactic continuum gamma-ray emission in the 0.75-30 MeV range from the inner Galaxy has been studied using data from COMPTEL on the Compton Gamma-Ray Observatory. Observations of the inner Galaxy from the Sky Survey have been used. The imaging properties of COMPTEL enable spatial analysis of the gamma-ray distribution using model fitting. A model based on atomic and molecular gas distributions in the Galaxy has been used to derive the emissivity spectrum of the gamma-ray emission and this spectrum is compared with theoretical estimates of bremsstrahlung emission from cosmic-ray electrons.

Strong, A. W.↗
NASA NTRS1995

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3)sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8)x IO(exp 11)/cu cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, 0, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/s, 2.4 x 10(exp 25)/s, 4.4 x 10(exp 22)/s, and 1.1 x 10(exp 24), respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Ionospheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4) - 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + C(kappa) = 10(exp -11) - 10(exp -10)cu cm/s, and the ion escape velocity upsilon(sub i) approx. equals 150 cm/s.

Krasnopolsky, Vladimir A.↗
NASA NTRS1995

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3) sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8) x 10(exp 11)/cc cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A)) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, O, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/ s, 2.4 x 10(exp 25)/ s, 4.4 x 10(exp 22)/ s, and 1.1 x 10(exp 24)/ s, respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Iono- spheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4)- 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + Ck = 10(exp -11)-10(exp -10)cc cm/s, and the ion escape velocity upselon(sub i) approx. 150 cm/s.

Krasnopolsky, Vladimir A.↗
NASA NTRS2001

Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

Hudgins, Douglas M.↗