Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “C60”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A search for the 13175 A infrared diffuse band in dense environments

Models of ionized interstellar C60 predict a strong transition in the 1.2 micrometer region, and two candidate bands have recently been detected in reddened stars. We have searched for the stronger of these bands (at 13175 A) in the Taurus dark cloud complex, to determine its response to the dark-cloud environment. None of the three lines of sight studied (two near the cloud surface, one reaching A(sub V) greater than 20(sup m)) give rise to a detectable band; in one case the equivalent width is a factor of order three below that predicted. Since such behaviour is also shown by the optical Diffuse Interstellar Bands, we suggest that the 13175 A band is a genuine DIB, but we caution against an automatic interpretation in terms of an ionic carrier.

Adamson, A. J.↗
NASA NTRS1994

Investigation of a laboratory candidate for the carrier of the 4430 A diffuse interstellar band

The 4430 A diffuse interstellar band (DIB) is unique among DIB's in that as one of the strong bands, it is the bluest strong band with no others observed at shorter wavelengths. This position at the edge of the DIF 'forrest' suggests it may be the easiest to replicate in the laboratory. In earlier experiments (Wdowiak 1980) an interesting candidate using a gas discharge followed by cryogenic matrix isolation was produced, and this report details its further investigation. This absorption feature, produced when 1 part CH4 in 200 parts Ar is discharged and frozen out approximately 10 K, is at a wavelength of 4500 A in the argon matrix. Our recent experiments strongly indicate it is due to a carbon-based reactive species that is stable against mercury vapor UV radiation, and not likely to be from a contaminant. The effect of matrix shift can be estimated by considering the blueward shift between Ar and Ne matrices in the cases of the pyrene and C60 cations. This suggests that a shift from 4500 A for an Af matrix to the vicinity of 4300 A for a Ne matrix and the gas phase is not unreasonable. A liquid He cooled Ne matrix isolation experiment was prepared to determine the wavelength of the feature in that matrix. Replacing CH4 with C2H2 results in an equivalent absorption due to C3, greatly diminished absorptions from C2 and Ch, and no observable feature at 4500 A. To date our experiments indicate CH4 is a favored precursor for production of the reactive carrier of the 4500 A feature. Perhaps C2H2 is not suitable because of its tendency to polymerize easily in the discharge.

Wdowiak, Thomas J.↗
NASA NTRS1996

Advanced Space Propulsion

This presentation describes a number of advanced space propulsion technologies with the potential for meeting the need for dramatic reductions in the cost of access to space, and the need for new propulsion capabilities to enable bold new space exploration (and, ultimately, space exploitation) missions of the 21st century. For example, current Earth-to-orbit (e.g., low Earth orbit, LEO) launch costs are extremely high (ca. $10,000/kg); a factor 25 reduction (to ca. $400/kg) will be needed to produce the dramatic increases in space activities in both the civilian and government sectors identified in the Commercial Space Transportation Study (CSTS). Similarly, in the area of space exploration, all of the relatively 'easy' missions (e.g., robotic flybys, inner solar system orbiters and landers; and piloted short-duration Lunar missions) have been done. Ambitious missions of the next century (e.g., robotic outer-planet orbiters/probes, landers, rovers, sample returns; and piloted long-duration Lunar and Mars missions) will require major improvements in propulsion capability. In some cases, advanced propulsion can enable a mission by making it faster or more affordable, and in some cases, by directly enabling the mission (e.g., interstellar missions). As a general rule, advanced propulsion systems are attractive because of their low operating costs (e.g., higher specific impulse, ISD) and typically show the most benefit for relatively 'big' missions (i.e., missions with large payloads or AV, or a large overall mission model). In part, this is due to the intrinsic size of the advanced systems as compared to state-of-the-art (SOTA) chemical propulsion systems. Also, advanced systems often have a large 'infrastructure' cost, either in the form of initial R&D costs or in facilities hardware costs (e.g., laser or microwave transmission ground stations for beamed energy propulsion). These costs must then be amortized over a large mission to be cost-competitive with a SOTA system with a low initial development and infrastructure cost and a high operating cost. Note however that this has resulted in a 'Catch 22' standoff between the need for large initial investment that is amortized over many launches to reduce costs, and the limited number of launches possible at today's launch costs. Some examples of missions enabled (either in cost or capability) by advanced propulsion include long-life station-keeping or micro-spacecraft applications using electric propulsion or BMDO-derived micro-thrusters, low-cost orbit raising (LEO to GEO or Lunar orbit) using electric propulsion, robotic planetary missions using aerobraking or electric propulsion, piloted Mars missions using aerobraking and/or propellant production from Martian resources, very fast (100-day round-trip) piloted Mars missions using fission or fusion propulsion, and, finally, interstellar missions using fusion, antimatter, or beamed energy. The NASA Advanced Propulsion Technology program at the Jet Propulsion Laboratory (JPL) is aimed at assessing the feasibility of a range of near-term to far term advanced propulsion technologies that have the potential to reduce costs and/or enable future space activities. The program includes cooperative modeling and research activities between JPL and various universities and industry; and directly supported independent research at universities and industry. The cooperative program consists of mission studies, research and development of ion engine technology using C60 (Buckminsterfullerene) propellant, and research and development of lithium-propellant Lorentz-force accelerator (LFA) engine technology. The university/industry-supported research includes modeling and proof-of-concept experiments in advanced, high-lsp, long-life electric propulsion, and in fusion propulsion.

Frisbee, Robert H.↗
NASA NTRS1997

Fullerenes, PAH, Carbon Nanostructures, and Soot in Low Pressure Diffusion Flames

The formation of fullerenes C60 and C7O is known to occur in premixed laminar benzene/oxygen/argon flames operated at reduced pressures. High resolution transmission electron microscopy (HRTEM) images of material collected from these flames has identified a variety of multishelled nanotubes and fullerene 'onions' as well as some trigonous structures. These fullerenes and nanostructures resemble the material that results from commercial fullerene production systems using graphite vaporization. As a result, combustion is an interesting method for fullerenes synthesis. If commercial scale operation is to be considered, the use of diffusion flames might be safer and less cumbersome than premixed flames. However, it is not known whether diffusion flames produce the types and yields of fullerenes obtained from premixed benzene/oxygen flames. Therefore, the formation of fullerenes and carbon nanostructures, as well as polycyclic aromatic hydrocarbons (PAH) and soot, in acetylene and benzene diffusion flames is being studied using high performance liquid chromatography (HPLC) and high resolution transmission electron microscopy (HRTEM).

Grieco, William J.↗
NASA NTRS1997

Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerenes and their Correlation with Three Geometric Parameters: Group Order, Aromaticity, and Size

Calculations were performed on the valence contribution to the static molecular third-order polarizabilities (gamma) of thirty carbon-cage fullerenes (C60, C70, five isomers of C78, and twenty-three isomers of C84). The molecular structures were obtained from B3LYP/STO-3G calculations. The values of the tensor elements and an associated numerical uncertainty were obtained using the finite-field approach and polynomial expansions of orders four to eighteen of polarization versus static electric field data. The latter information was obtained from semiempirical calculations using the AM1 hamiltonian.

Moore, Craig E.↗
NASA NTRS1998

Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerene and Their Correlation with Three Geometric Properties: Symmetry, Aromaticity, and Size

The static third-order polarizabilities (gamma) of C60, C70, five isomers of C78 and two isomers of C84 were analyzed in terms of three properties, from a geometric point of view: symmetry, aromaticity and size. The polarizability values were based on the finite field approximation using a semiempirical Hamiltonian (AM1) and applied to molecular structures obtained from density functional theory calculations. Symmetry was characterized by the molecular group order. The selection of 6-member rings as aromatic was determined from an analysis of bond lengths. Maximum interatomic distance and surface area were the parameters considered with respect to size. Based on triple linear regression analysis, it was found that the static linear polarizability (alpha) and gamma in these molecules respond differently to geometrical properties: alpha depends almost exclusively on surface area while gamma is affected by a combination of number of aromatic rings, length and group order, in decreasing importance. In the case of alpha, valence electron contributions provide the same information as all-electron estimates. For gamma, the best correlation coefficients are obtained when all-electron estimates are used and when the dependent parameter is ln(gamma) instead of gamma.

Moore, C. E.↗
NASA NTRS2000

Fullerenes and Noble Gases in the Murchison and Allende Meteorites

In this work we report the detection of fullerenes (C60 to C250) in the Murchison and Allende meteorites. By exploiting the unique ability of these molecules to trap noble gases, we have determined that fullerene is indeed a new carrier phase for noble gases in meteorites.

Becker, Luann↗
NASA NTRS2000

Mechanisms of Carbon Nanotube Production by Laser Ablation Process

We will present possible mechanisms for nanotube production by laser oven process. Spectral emission of excited species during laser ablation of a composite graphite target is compared with that of laser irradiated C60 vapor. The similarities in the transient and spectral data suggest that fullerenes are intermediate precursors for nanotube formation. The confinement of the ablation products by means of a 25-mm diameter tube placed upstream of the target seems to improve the production and purity of nanotubes. Repeated laser pulses vaporize the amorphous/graphitic carbon and possibly catalyst particles, and dissociate fullerenes yielding additional feedstock for SWNT growth.

Scott, Carl D.↗
NASA NTRS2000

New Data on Microfossils from Shungites

Shungites are pre-cambrian (2Gya) carbon-rich, silicate rocks known from deposits in the north-western part of lake Onega, near the city of Petrozavodsk in Karelia (North from St. Petersburg, Russia). Shungites are extremely rich in carbon, with carbon accounting for 98% in vein shungites. Shungites have been found to exhibit interesting optical, ultrasonic, thermal, mechanical, electrical properties and have recently been found to contain small amounts of C60 fullerene. Shungite rocks from Karelia have a characteristic globular structure and are chemically inert and metastable. As part of our ongoing search for biomarkers in ancient terrestrial rocks that are of potential significance to Astrobiology, we have conducted Environmental and Field Emission Scanning Electron Micrographs of freshly fractured interior surfaces of Shungites. We find them to contain indigenous miocrofossils, similar to cyanobacteria known from the phosphorites of Khubsugul, Mongolia. We describe this investigation and provide ESEM and FESEM images of biomorphic microstructures that we interpret as indigenous microfossils in Shungites.

Hoover, Robert B.↗
NASA NTRS1999

Production and Characterization of Carbon Nanotubes and Nanotube-Based Composites

The Nobel Prize winning discovery of the Buckuball (C60) in 1985 at Rice University by a group including Dr. Richard Smalley led to the whole new class of carbon allotropes including fullerenes and nanotubes. Especially interesting from many viewpoints are single-walled carbon nanotubes, which structurally are like a single graphitic sheet wrapped around a cylinder and capped at the ends. This cylinders have diameter as small as 0.5 - 2 nm (1/100,000th the diameter of a human hair) and are as long as 0.1 - 1 mm. Nanotubes are really individual molecules and believed to be defect-free, leading to high tensile strength despite their low density. Additionally, these fibers exhibit electrical conductivity as high as copper, thermal conductivity as high as diamond, strength 100 times higher than steel at one-sixth the weight, and high strain to failure. Thus it is believed that developments in the field of nanotechnology will lead to stronger and lighter composite materials for next generation spacecraft. Lack of a bulk method of production is the primary reason nanotubes are not used widely today. Toward this goal JSC nanotube team is exploring three distinct production techniques: laser ablation, arc discharge and chemical vapor deposition (CVD, in collaboration with Rice University). In laser ablation technique high-power laser impinges on the piece of carbon containing small amount of catalyst, and nanotubes self-assemble from the resulting carbon vapor. In arc generator similar vapor is created in arc discharge between carbon electrodes with catalyst. In CVD method nanotubes grow at much lower temperature on small catalyst particles from carbon-containing feedstock gas (methane or carbon monoxide). As of now, laser ablation produces cleanest material, but mass yield is rather small. Arc discharge produces grams of material, but purity is low. CVD technique is still in baby steps, but preliminary results look promising, as well as perspective of scaling the process up. We are also working on necessary purification of nanotubes. Applications of nanotubes are in such various fields as lightweight composites, molecular electronics, energy storage (electrodes in Li ion batteries), flat panel displays, conductive polymers, etc. JSC nanotube team is focused on development of lightweight materials. We work on the injection thermoset epoxies reinforced with nanotubes. Early results show good wetting of nanotube surface with epoxy, which is very important. More research will be possible as more nanotubes become available.

Nikolaev, Pavel↗
NASA NTRS1998

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

Bates, Kevin R.↗
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 NTRS1997

Machine Phase Fullerene Nanotechnology: 1996

NASA has used exotic materials for spacecraft and experimental aircraft to good effect for many decades. In spite of many advances, transportation to space still costs about $10,000 per pound. Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. These studies and others suggest enormous potential for aerospace systems. Unfortunately, methods to realize diamonoid nanotechnology are at best highly speculative. Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically relatively accessible and of great aerospace interest. Machine phase materials are (hypothetical) materials consisting entirely or in large part of microscopic machines. In a sense, most living matter fits this definition. To begin investigation of fullerene nanotechnology, we used molecular dynamics to study the properties of carbon nanotube based gears and gear/shaft configurations. Experiments on C60 and quantum calculations suggest that benzyne may react with carbon nanotubes to form gear teeth. Han has computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Results suggest that rotation can be converted to rotating or linear motion, and linear motion may be converted into rotation. Preliminary results suggest that these mechanical systems can be cooled by a helium atmosphere. Furthermore, Deepak has successfully simulated using helical electric fields generated by a laser to power fullerene gears once a positive and negative charge have been added to form a dipole. Even with mechanical motion, cooling, and power; creating a viable nanotechnology requires support structures, computer control, a system architecture, a variety of components, and some approach to manufacture. Additional information is contained within the original extended abstract.

Globus, Al↗
NASA NTRS1996

Molecular Dynamics Simulation of Carbon Nanotube Based Gears

We used molecular dynamics to investigate the properties and design space of molecular gears fashioned from carbon 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. One gear was powered by forcing the atoms near the end of the buckytube to rotate, and a second gear was allowed.to rotate by keeping the atoms near the end of its buckytube on a cylinder. The meshing aromatic gear teeth transfer angular momentum from the powered gear to the driven gear. A number of gear and gear/shaft configurations were simulated. Cases in vacuum and with an inert atmosphere were examined. In an extension to molecular dynamics technology, some simulations used a thermostat on the atmosphere while the hydrocarbon gear's temperature was allowed to fluctuate. This models cooling the gears with an atmosphere. Results suggest that these gears can operate at up to 50-100 gigahertz in a vacuum or inert atmosphere at room temperature. The failure mode involves tooth slip, not bond breaking, so failed gears can be returned to operation by lowering temperature and/or rotation rate. Videos and atomic trajectory files in xyz format are presented.

Han, Jie↗
NASA NTRS1996

NanoDesign: Concepts and Software for a Nanotechnology Based on Functionalized Fullerenes

Eric Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. While attractive, diamonoid nanotechnology is not physically accessible with straightforward extensions of current laboratory techniques. We propose a nanotechnology based on functionalized fullerenes and investigate carbon nanotube based gears with teeth added via a benzyne reaction known to occur with C60. The gears are single-walled carbon nanotubes with appended coenzyme groups for teeth. Fullerenes are in widespread laboratory use and can be functionalized in many ways. Companion papers computationally demonstrate the properties of these gears (they appear to work) and the accessibility of the benzyne/nanotube reaction. This paper describes the molecular design techniques and rationale as well as the software that implements these design techniques. The software is a set of persistent C++ objects controlled by TCL command scripts. The c++/tcl interface is automatically generated by a software system called tcl_c++ developed by the author and described here. The objects keep track of different portions of the molecular machinery to allow different simulation techniques and boundary conditions to be applied as appropriate. This capability has been required to demonstrate (computationally) our gear's feasibility. A new distributed software architecture featuring a WWW universal client, CORBA distributed objects, and agent software is under consideration. The software architecture is intended to eventually enable a widely disbursed group to develop complex simulated molecular machines.

Globus, Al↗
NASA NTRS2002

Combustion Synthesis of Fullerenes and Fullerenic Nanostructures In Microgravity

The objectives of the proposed research were to determine the effects of gravity on fullerenes formation in flames and, based on the observed effects, to develop fundamental understanding of fullerenes formation and to identify engineering principles for fullerenes production. The research method consisted of the operation of laminar diffusion flames under normal- and reduced-gravity conditions, and the collection from the flames and subsequent analysis of condensables including any fullerenes present, using coupled high performance liquid chromatography/mass spectrometry and high resolution transmission electron microscopy. The focus included fullerene molecules C60 and C70 and fullerenic nanostructures including tubes, spherules and other shapes. The normal-gravity experiments were performed at MIT and complementary reduced-gravity experiments were to have been contributed by NASA. The independent variables of interest are gravity, fuel type, fuel/oxygen ratio, pressure, gas velocity at burner, diluent type and concentration. Given the large number of variables and the absence of data on either fullerene formation in diffusion flames or gravitational effects on fullerene formation in diffusion or premixed flames, the first part of the work was exploratory while the later part involved detailed study of the most interesting mechanisms. Samples of condensable material from laminar low pressure benzene/argon/oxygen diffusion flames were collected and analyzed by high-performance liquid chromatography to determine the yields of fullerenes, and by high-resolution transmission electron microscopy (HRTEM) to characterize the fullerenic material, i.e., curved-layer nanostructures, on and within the soot particles. The highest concentration of fullerenes was always detected just above the visible stoichiometric surface of a flame. The percentage of fullerenes in the condensable material increases with decreasing pressure. The overall highest amount of fullerenes was found for a surprisingly high dilution fuel with argon. The maximum flame temperature seems to be of minor importance in fullerene formation. The HRTEM analysis of the soot showed an increase of the curvature of the carbon layers, and hence increased fullerenic character. After this maximum, the curvature decreases. In addition to the soot, the samples included fullerenic nanostructures, such as tubes and spheroids including highly-ordered multilayered or onion-like structures. The soot itself shows highly ordered regions that appear to have been cells of ongoing fullerenic nanostructure formation.

Howard, Jack B.↗
NASA NTRS2001

Synthesis and Characterization of SF-PPV-I

Conjugated electro-active polymers find their potential applications in developing variety inexpensive and flexible shaped electronic and photonic devices, such as photovoltaic or photo/electro light emitting devices. In many of these opto-electronic polymeric materials, certain electron rich donors and electron deficient acceptors are needed in order to fine-tune the electronic or photonic properties of the desired materials and structures. While many donor type of conjugated polymers have been widely studied and developed in the past decades, there are relatively fewer acceptor type of conjugated polymers have been developed. Key acceptor type conjugated polymers developed so far include C60 and CN-PPV, and each has its limitations. Due to the complexity and diversity of variety future electronic materials and structural needs, alternative and synthetically amenable acceptor conjugated polymers need to be developed. In this paper, we present the synthesis and characterization of a new acceptor conjugated polymer, a sulfone derivatized polyphenylenevinylene "SF-PPV".

Wang, Y.↗
NASA NTRS2002

Novel High Efficient Organic Photovoltaic Materials: Appendix for Summary of Research

There are many different kinds of conjugated polymers that may be useful in photovoltaic devices. So far, the most popular and successful conjugated polymers used in photovoltaic devices include poly(1,4-)phenylenevinylenes (PPV), C60 and their derivatives. The discovery of electro-luminescence in PPV has stimulated a great deal of interest in developing "plastic" solid-state semiconductor devices. The overall synthetic methodology for the preparation of PPV can be divided into three main categories: (1) side chain derivatization, (2) precursor approach, and (3) in-situ polymerization. In this project, the first method was adopted. As discussed in project proposal and literatures, the overall efficiency of photovoltaic devices containing conjugated polymers is determined by the materials ability to generate excitons from incoming radiation, and then to separate the charges at donor/acceptor interfaces, and then to transport charges to respective electrodes. Given that effective exciton diffusion range are typical less then 30 nm, unique morphological structures are needed. This need led to several research groups to the idea that interpenetrating or bi-continuous networks of donor (electron donating) and acceptor (electron withdrawing) polymers should give better results. One approach involved the use of functionalized PPV. The attachment of electron withdrawing cyano groups to a PPV forms the CN-PPV, making it a strong electron acceptor. Underivatized PPV is a generally considered a hole-transporting material. Using blends of MEH-PPV, a soluble donor PPV derivative, as a hole transporter and CN-PPV as an electron transporter, a quantum efficiencies of up to 6% was achieved.

Sun, Sam↗