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Sample records for carbon atom wires

  1. Magnetism and spin-polarized transport in carbon atomic wires

    NASA Astrophysics Data System (ADS)

    Li, Z. Y.; Sheng, W.; Ning, Z. Y.; Zhang, Z. H.; Yang, Z. Q.; Guo, H.

    2009-09-01

    We report ab initio calculations of magnetic and spin-polarized quantum transport properties of pure and nitrogen-doped carbon atomic wires. For finite-sized wires with even number of carbon atoms, total magnetic moment of 2μB is found. On the other hand, wires with odd number atoms have no net magnetic moment. Doped with one or two nitrogen atom(s), the carbon atomic wires exhibit a spin-density-wave-like state. The magnetic properties can be rationalized through bonding patterns and unpaired states. When the wire is sandwiched between Au electrodes to form a transport junction, perfect spin filtering effect can be induced by slightly straining the wire.

  2. Carbon-atom wires: 1-D systems with tunable properties.

    PubMed

    Casari, C S; Tommasini, M; Tykwinski, R R; Milani, A

    2016-02-28

    This review provides a discussion of the current state of research on linear carbon structures and related materials based on sp-hybridization of carbon atoms (polyynes and cumulenes). We show that such systems have widely tunable properties and thus represent an intriguing and mostly unexplored field for both fundamental and applied sciences. We discuss the rich interplay between the structural, vibrational, and electronic properties focusing on recent advances and the future perspectives of carbon-atom wires and novel hybrid sp-sp(2)-carbon architectures. PMID:26847474

  3. Carbon-atom wires: 1-D systems with tunable properties

    NASA Astrophysics Data System (ADS)

    Casari, C. S.; Tommasini, M.; Tykwinski, R. R.; Milani, A.

    2016-02-01

    This review provides a discussion of the current state of research on linear carbon structures and related materials based on sp-hybridization of carbon atoms (polyynes and cumulenes). We show that such systems have widely tunable properties and thus represent an intriguing and mostly unexplored field for both fundamental and applied sciences. We discuss the rich interplay between the structural, vibrational, and electronic properties focusing on recent advances and the future perspectives of carbon-atom wires and novel hybrid sp-sp2-carbon architectures.

  4. Fabrication and Characterization of Oriented Carbon Atom Wires Assembled on Gold

    SciTech Connect

    Xue,K.H.; Wu,L.; Chen, S.-P.; Wanga, L.X.; Wei, R.-B.; Xu, S.-M.; Cui, L.; Mao, B.-W.; Tian, Z.-Q.; Zen, C.-H.; Sun, S.-G.; Zhu, Y.-M.

    2009-02-17

    Carbon atom wires (CAWs) are of the sp-hybridized allotrope of carbon. To augment the extraordinary features based on sp-hybridization, we developed an approach to make CAWs be self-assembled and orderly organized on Au substrate. The self-assembling process was investigated in situ by using scanning tunneling microscopy (STM) and electrochemical quartz crystal microbalance (EQCM). The properties of the assembled film were characterized by voltammetry, Raman spectroscopy, electron energy loss spectroscopy (EELS), and the contact angle measurements. Experimental results indicated that the assembled CAW film was of the good structural integrity and well organized, with the sp-hybridized features enhanced.

  5. Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires.

    PubMed

    Milani, Alberto; Tommasini, Matteo; Russo, Valeria; Li Bassi, Andrea; Lucotti, Andrea; Cataldo, Franco; Casari, Carlo S

    2015-01-01

    Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs) can be arranged in two possible structures: a sequence of double bonds (cumulenes), resulting in a 1D metal, or an alternating sequence of single-triple bonds (polyynes), expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms) and the type of termination (e.g., atom, molecular group or nanostructure). Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length). Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds. PMID:25821689

  6. Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

    PubMed Central

    Milani, Alberto; Tommasini, Matteo; Russo, Valeria; Li Bassi, Andrea; Lucotti, Andrea; Cataldo, Franco

    2015-01-01

    Summary Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs) can be arranged in two possible structures: a sequence of double bonds (cumulenes), resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes), expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms) and the type of termination (e.g., atom, molecular group or nanostructure). Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length). Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds. PMID:25821689

  7. Realization of a Strained Atomic Wire Superlattice.

    PubMed

    Song, Inkyung; Goh, Jung Suk; Lee, Sung-Hoon; Jung, Sung Won; Shin, Jin Sung; Yamane, Hiroyuki; Kosugi, Nobuhiro; Yeom, Han Woong

    2015-11-24

    A superlattice of strained Au-Si atomic wires is successfully fabricated on a Si surface. Au atoms are known to incorporate into the stepped Si(111) surface to form a Au-Si atomic wire array with both one-dimensional (1D) metallic and antiferromagnetic atomic chains. At a reduced density of Au, we find a regular array of Au-Si wires in alternation with pristine Si nanoterraces. Pristine Si nanoterraces impose a strain on the neighboring Au-Si wires, which modifies both the band structure of metallic chains and the magnetic property of spin chains. This is an ultimate 1D version of a strained-layer superlattice of semiconductors, defining a direction toward the fine engineering of self-assembled atomic-scale wires. PMID:26446292

  8. Transport Through Carbon Nanotube Wires

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Kwak, Dochan (Technical Monitor)

    2001-01-01

    This viewgraph presentation deals with the use of carbon nanotubes as a transport system. Contact, defects, tubular bend, phonons, and mechanical deformations all contribute to reflection within the nanotube wire. Bragg reflection, however, is native to an ideal energy transport system. Transmission resistance depends primarily on the level of energy present. Finally, the details regarding coupling between carbon nanotubes and simple metals are presented.

  9. Quantum stability and magic lengths of metal atom wires

    NASA Astrophysics Data System (ADS)

    Cui, Ping; Choi, Jin-Ho; Lan, Haiping; Cho, Jun-Hyung; Niu, Qian; Yang, Jinlong; Zhang, Zhenyu

    2016-06-01

    Metal atom wires represent an important class of nanomaterials in the development of future electronic devices and other functional applications. Using first-principles calculations within density functional theory, we carry out a systematic study of the quantum stability of freestanding atom wires consisting of prototypical metal elements with s -, s p -, and s d -valence electrons. We explore how the quantum mechanically confined motion and local bonding of the valence electrons in these different wire systems can dictate their overall structural stability and find that the formation energy of essentially all the wires oscillates with respect to their length measured by the number n of atoms contained in the wires, establishing the existence of highly preferred (or magic) lengths. Furthermore, different wire classes exhibit distinctively different oscillatory characteristics and quantum stabilities. Alkali metal wires possessing an unpaired s valence electron per atom exhibit simple damped even-odd oscillations. In contrast, Al and Ga wires containing three s2p1 valence electrons per atom generally display much larger and undamped even-odd energy oscillations due to stronger local bonding of the p orbitals. Among the noble metals, the s -dominant Ag wires behave similarly to the linear alkali metal wires, while Au and Pt wires distinctly prefer to be structurally zigzagged due to strong relativistic effects. These findings are discussed in connection with existing experiments and should also be instrumental in future experimental realization of different metal atom wires in freestanding or supported environments with desirable functionalities.

  10. Current-assisted cooling in atomic wires.

    PubMed

    McEniry, Eunan J; Todorov, Tchavdar N; Dundas, Daniel

    2009-05-13

    The effects of inelastic interactions between current-carrying electrons and vibrational modes of a nanoscale junction are a major limiting factor on the stability of such devices. A method for dynamical simulation of inelastic electron-ion interactions in nanoscale conductors is applied to a model system consisting of an adatom bonded to an atomic wire. It is found that the vibrational energy of such a system may decrease under bias, and furthermore that, as the bias is increased, the rate of cooling, within certain limits, will increase. This phenomenon can be understood qualitatively through low-order perturbation theory, and is due to the presence of an anti-resonance in the transmission function of the system at the Fermi level. Such current-assisted cooling may act as a stabilization mechanism, and may form the basis for a nanoscale cooling 'fan'. PMID:21825478

  11. Single-molecule conductance in atomically precise germanium wires.

    PubMed

    Su, Timothy A; Li, Haixing; Zhang, Vivian; Neupane, Madhav; Batra, Arunabh; Klausen, Rebekka S; Kumar, Bharat; Steigerwald, Michael L; Venkataraman, Latha; Nuckolls, Colin

    2015-09-30

    While the electrical conductivity of bulk-scale group 14 materials such as diamond carbon, silicon, and germanium is well understood, there is a gap in knowledge regarding the conductivity of these materials at the nano and molecular scales. Filling this gap is important because integrated circuits have shrunk so far that their active regions, which rely so heavily on silicon and germanium, begin to resemble ornate molecules rather than extended solids. Here we unveil a new approach for synthesizing atomically discrete wires of germanium and present the first conductance measurements of molecular germanium using a scanning tunneling microscope-based break-junction (STM-BJ) technique. Our findings show that germanium and silicon wires are nearly identical in conductivity at the molecular scale, and that both are much more conductive than aliphatic carbon. We demonstrate that the strong donor ability of C-Ge σ-bonds can be used to raise the energy of the anchor lone pair and increase conductance. Furthermore, the oligogermane wires behave as conductance switches that function through stereoelectronic logic. These devices can be trained to operate with a higher switching factor by repeatedly compressing and elongating the molecular junction. PMID:26373928

  12. Electronic Conduction through Atomic Chains, Quantum Well and Quantum Wire

    NASA Astrophysics Data System (ADS)

    Sharma, A. C.

    2011-07-01

    Charge transport is dynamically and strongly linked with atomic structure, in nanostructures. We report our ab-initio calculations on electronic transport through atomic chains and the model calculations on electron-electron and electron-phonon scattering rates in presence of random impurity potential in a quantum well and in a quantum wire. We computed synthesis and ballistic transport through; (a) C and Si based atomic chains attached to metallic electrodes, (b) armchair (AC), zigzag (ZZ), mixed, rotated-AC and rotated-ZZ geometries of small molecules made of 2S, 6C & 4H atoms attaching to metallic electrodes, and (c) carbon atomic chain attached to graphene electrodes. Computed results show that synthesis of various atomic chains are practically possible and their transmission coefficients are nonzero for a wide energy range. The ab-initio calculations on electronic transport have been performed with the use of Landauer-type scattering formalism formulated in terms of Grben's functions in combination with ground-state DFT. The electron-electron and electron-phonon scattering rates have been calculated as function of excitation energy both at zero and finite temperatures for disordered 2D and 1D systems. Our model calculations suggest that electron scattering rates in a disordered system are mainly governed by effective dimensionality of a system, carrier concentration and dynamical screening effects.

  13. A model of optical trapping cold atoms using a metallic nano wire with surface plasmon effect

    NASA Astrophysics Data System (ADS)

    Thi Phuong Lan, Nguyen; Thi Nga, Do; Viet, Nguyen Ai

    2016-06-01

    In this work, we construct a new model of optical trapping cold atoms with a metallic nano wire by using surface plasmon effect generated by strong field of laser beams. Using the skin effect, we send a strong oscillated electromagnetic filed through the surface of a metallic nano wire. The local field generated by evanescent effect creates an effective attractive potential near the surface of metallic nano wires. The consideration of some possible boundary and frequency conditions might lead to non-trivial bound state solution for a cold atom. We discus also the case of the laser reflection optical trap with shell-core design, and compare our model with another recent schemes of cold atom optical traps using optical fibers and carbon nanotubes.

  14. Reaction and Protection of Electrical Wire Insulators in Atomic-oxygen Environments

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh; Cantrell, Gidget

    1994-01-01

    Atomic-oxygen erosion on spacecraft in low Earth orbit is an issue which is becoming increasingly important because of the growing number of spacecraft that will fly in the orbits which have high concentrations of atomic oxygen. In this investigation, the atomic-oxygen durability of three types of electrical wire insulation (carbon-based, fluoropolymer, and polysiloxane elastomer) were evaluated. These insulation materials were exposed to thermal-energy atomic oxygen, which was obtained by RF excitation of air at a pressure of 11-20 Pa. The effects of atomic-oxygen exposure on insulation materials indicate that all carbon-based materials erode at about the same rate as polyamide Kapton and, therefore, are not atomic-oxygen durable. However, the durability of fluoropolymers needs to be evaluated on a case by case basis because the erosion rates of fluoropolymers vary widely. For example, experimental data suggest the formation of atomic fluorine during atomic-oxygen amorphous-fluorocarbon reactions. Dimethyl polysiloxanes (silicone) do not lose mass during atomic-oxygen exposure, but develop silica surfaces which are under tension and frequently crack as a result of loss of methyl groups. However, if the silicone sample surfaces were properly pretreated to provide a certain roughness, atomic oxygen exposure resulted in a sturdy, non-cracked atomic-oxygen durable SiO2 layer. Since the surface does not crack during such silicone-atomic oxygen reaction, the crack-induced contamination by silicone can be reduced or completely stopped. Therefore, with proper pretreatment, silicone can be either a wire insulation material or a coating on wire insulation materials to provide atomic-oxygen durability.

  15. Quantum conductance of silicon-doped carbon wire nanojunctions

    PubMed Central

    2012-01-01

    Unknown quantum electronic conductance across nanojunctions made of silicon-doped carbon wires between carbon leads is investigated. This is done by an appropriate generalization of the phase field matching theory for the multi-scattering processes of electronic excitations at the nanojunction and the use of the tight-binding method. Our calculations of the electronic band structures for carbon, silicon, and diatomic silicon carbide are matched with the available corresponding density functional theory results to optimize the required tight-binding parameters. Silicon and carbon atoms are treated on the same footing by characterizing each with their corresponding orbitals. Several types of nanojunctions are analyzed to sample their behavior under different atomic configurations. We calculate for each nanojunction the individual contributions to the quantum conductance for the propagating σ, Π, and σ∗electron incidents from the carbon leads. The calculated results show a number of remarkable features, which include the influence of the ordered periodic configurations of silicon-carbon pairs and the suppression of quantum conductance due to minimum substitutional disorder and artificially organized symmetry on these nanojunctions. Our results also demonstrate that the phase field matching theory is an efficient tool to treat the quantum conductance of complex molecular nanojunctions. PMID:23130998

  16. Rectification in substituted atomic wires: a theoretical insight.

    PubMed

    Asai, Yoshihiro

    2012-04-25

    Recently, there have been discussions that the giant diode property found experimentally in diblock molecular junctions could be enhanced by the many-body electron correlation effect beyond the mean field theory. In addition, the effect of electron-phonon scattering on an electric current through the diode molecule, measured by inelastic tunneling spectroscopy (IETS), was found to be symmetric with respect to the voltage sign change even though the current is asymmetric. The reason for this behavior is a matter of speculation. In order to clarify whether or not this feature is limited to organic molecules in the off-resonant tunneling region, we discuss the current asymmetry effect on IETS in the resonant region. We introduced heterogeneous atoms into an atomic wire and found that IETS becomes asymmetric in this substituted atomic wire case. Our conclusion gives the other example of intrinsic differences between organic molecules and metallic wires. While the contribution of electron-phonon scattering to IETS is not affected by the current asymmetry in the former case, it is affected in the latter case. The importance of the contribution of the electron-hole excitation to phonon damping in bringing about the current asymmetry effect in IETS in the latter case is discussed. PMID:22466527

  17. Substrate effect on the band gap of semiconducting atomic wires

    NASA Astrophysics Data System (ADS)

    Simbeck, Adam J.; Nayak, Saroj K.

    2014-03-01

    The electronic structure of free-standing and supported semiconducting atomic wires is investigated using a combination of first-principles density functional theory (DFT) and many-body perturbation theory (MBPT). The band gaps predicted from DFT for SiH2 and GeH2 atomic wires are unaffected by the presence of the substrate, whereas the gaps calculated using MBPT under the GW approximation are reduced by about 1eV when the wires are supported. The reduction in the band gap is attributed to a change in the electronic correlation energy, which can be understood as a screened Coulomb interaction. These results highlight the importance of the role played by the substrate in manipulating the electronic and optical properties of quantum confined Si and Ge systems. Work supported by the Interconnect Focus Center (MARCO program), State of New York, NSF IGERT Program, Grant no. 0333314, NSF Petascale Simulations and Analysis (PetaApps) program, Grant No. 0749140, and computing resources of the CCNI at RPI.

  18. Electronic instabilities in self-assembled atom wires

    SciTech Connect

    Snijders, Paul C; Weitering, Harm H

    2010-01-01

    Low dimensional systems have fascinated physicists for a long time due to their unusual properties such as charge fractionalization, semionic statistics, and Luttinger liquid behavior among others. In nature, however, low dimensional systems often suffer from thermal fluctuations that can make these systems structurally unstable. Human beings, however, can trick nature by producing artificial structures which are not naturally produced. This Colloquium reviews the problem of self-assembled atomic wires on solid surfaces from an experimental and theoretical point of view. These materials represent a class of one-dimensional systems with very unusual properties that can open doors to the study of exotic physics that cannot be studied otherwise.

  19. Band-Structure Engineering of Gold Atomic Wires on Silicon by Controlled Doping

    NASA Astrophysics Data System (ADS)

    Choi, Won Hoon; Kang, Pil Gyu; Ryang, Kyung Deuk; Yeom, Han Woong

    2008-03-01

    We report on the systematic tuning of the electronic band structure of atomic wires by controlling the density of impurity atoms. The atomic wires are self-assembled on Si(111) by substitutional gold adsorbates and extra silicon atoms are deposited as the impurity dopants. The one-dimensional electronic band of gold atomic wires, measured by angle-resolved photoemission, changes from a fully metallic to semiconducting one with its band gap increasing above 0.3 eV along with an energy shift as a linear function of the Si dopant density. The gap opening mechanism is suggested to be related to the ordering of the impurities.

  20. Wired up: interconnecting two-dimensional materials with one-dimensional atomic chains.

    PubMed

    Rong, Youmin; Warner, Jamie H

    2014-12-23

    Atomic wires are chains of atoms sequentially bonded together and epitomize the structural form of a one-dimensional (1D) material. In graphene, they form as interconnects between regions when the nanoconstriction eventually becomes so narrow that it is reduced to one atom thick. In this issue of ACS Nano, Cretu et al. extend the discovery of 1D atomic wire interconnects in two-dimensional (2D) materials to hexagonal boron nitride. We highlight recent progress in the area of 1D atomic wires within 2D materials, with a focus on their atomic-level structural analysis using aberration-corrected transmission electron microscopy. We extend this discussion to the formation of nanowires in transition metal dichalcogenides under similar electron-beam irradiation conditions. The future outlook for atomic wires is considered in the context of new 2D materials and hybrids of C, B, and N. PMID:25474120

  1. Submillimetre observations of atomic carbon

    NASA Technical Reports Server (NTRS)

    Phillips, T. G.; Keene, J.

    1982-01-01

    Emission from the ground state fine structure transition of atomic carbon at 610 microns has been observed in Galactic sources. From comparison of the observations with CO emission, it can be deduced that the abundance of neutral carbon relative to CO is high (approximately 0.1-3). The spatial and velocity distribution of CI and CO are often very similar. If molecular clouds are older than 1 x 10 to the 6th power years, the observations necessitate a mechanism which can maintain a high abundance of neutral carbon in cloud material, either by hindering complete conversion of C into CO or by physically and chemically rejuvenating the material.

  2. The effect of semi-infinite crystalline electrodes on transmission of gold atomic wires using DFT

    NASA Astrophysics Data System (ADS)

    Sattar, Abdul; Amjad, Raja Junaid; Yasmeen, Sumaira; Javed, Hafsa; Latif, Hamid; Mahmood, Hasan; Iqbal, Azmat; Usman, Arslan; Akhtar, Majid Niaz; Khan, Salman Naeem; Dousti, M. R.

    2016-05-01

    First principle calculations of the conductance of gold atomic wires containing chain of 3-8 atoms each with 2.39 Å bond lengths are presented using density functional theory. Three different configurations of wire/electrodes were used. For zigzag wire with semi-infinite crystalline electrodes, even-odd oscillation is observed which is consistent with the previously reported results. A lower conductance is observed for the chain in semi-infinite crystalline electrodes compared to the chains suspended in wire-like electrode. The calculated transmission spectrum for the straight and zig-zag wires suspended between semi-infinite crystalline electrodes showed suppression of transmission channels due to electron scattering occurring at the electrode-wire interface.

  3. Microscopic mechanism of templated self-assembly: Indium metallic atomic wires on Si(553)-Au

    NASA Astrophysics Data System (ADS)

    Kang, Pil-Gyu; Jeong, Hojin; Yeom, Han Woong

    2009-03-01

    We report on the self-assembly of metallic atomic wires utilizing a templated semiconductor surface. A well-ordered template is provided by a vicinal Si surface reacted with Au, Si(553)-Au, which has a regular and robust step array. The scanning tunneling microscopy study shows that In atoms preferentially adsorb and diffuse actively along step edges to form well-ordered atomic wires. The local spectroscopy indicates the metallic property of In atomic wires formed. Ab initio calculations reveal the microscopic mechanism of the templated self-assembly as based on well-aligned preferential adsorption sites and the strongly anisotropic surface diffusion. This template can, thus, be widely applied to fabricate various atomic or molecular wires.

  4. Platinum atomic wire encapsulated in gold nanotubes: A first principle study

    SciTech Connect

    Nigam, Sandeep Majumder, Chiranjib; Sahoo, Suman K.; Sarkar, Pranab

    2014-04-24

    The nanotubes of gold incorporated with platinum atomic wire have been investigated by means of firstprinciples density functional theory with plane wave pseudopotential approximation. The structure with zig-zag chain of Pt atoms in side gold is found to be 0.73 eV lower in energy in comparison to straight chain of platinum atoms. The Fermi level of the composite tube was consisting of d-orbitals of Pt atoms. Further interaction of oxygen with these tubes reveals that while tube with zig-zag Pt prefers dissociative adsorption of oxygen molecule, the gold tube with linear Pt wire favors molecular adsorption.

  5. Platinum atomic wire encapsulated in gold nanotubes: A first principle study

    NASA Astrophysics Data System (ADS)

    Nigam, Sandeep; Sahoo, Suman K.; Sarkar, Pranab; Majumder, Chiranjib

    2014-04-01

    The nanotubes of gold incorporated with platinum atomic wire have been investigated by means of firstprinciples density functional theory with plane wave pseudopotential approximation. The structure with zig-zag chain of Pt atoms in side gold is found to be 0.73 eV lower in energy in comparison to straight chain of platinum atoms. The Fermi level of the composite tube was consisting of d-orbitals of Pt atoms. Further interaction of oxygen with these tubes reveals that while tube with zig-zag Pt prefers dissociative adsorption of oxygen molecule, the gold tube with linear Pt wire favors molecular adsorption.

  6. Characterization of Launched Atoms Leading to Observations of Cold Rydberg Atoms in the Field of a Charged Wire

    NASA Astrophysics Data System (ADS)

    Goodsell, Anne; Erwin, Emma

    2016-05-01

    We are preparing to accelerate and decelerate cold Rydberg atoms in the field of a charged wire. We cool and launch rubidium atoms and observe the distribution of atoms up to 16 mm above the trap location. We report a transverse speed less than 1/10 of the longitudinal launch speed. For Rydberg-atom observations, the cold cloud will be illuminated in mid-flight to promote atoms into the desired Rydberg state (e.g. n = 33-40). With a three-photon sequence we will access nf states and the nearby manifolds with linear Stark shifts. We observed the first two steps of this process using counter-propagating beams of 780 nm and 776 nm in a Rb cell. For cold Rydberg atoms, we will compare states that are strongly accelerated to states that are strongly decelerated by the field around the charged-wire target. We calculate that the displacement during the Rydberg lifetime (e.g. n = 35, τ = 30 μs) will be 200-300 μm farther for extreme attracted states. Detection will occur by spatially-dependent field ionization. Observations of atoms with zero angular momentum around the wire can be extended to atoms with nonzero angular momentum and also to study dynamics of Rydberg atoms with a quadratic Stark shift, building on previous work with ground-state atoms.

  7. Correlating Electronic Transport to Atomic Structures in Self-Assembled Quantum Wires

    SciTech Connect

    Li, An-Ping; Qin, Shengyong; Kim, Tae Hwan; Ouyang, Wenjie; Zhang, Yanning; Weitering, Harm H; Shih, Chih-Kang; Baddorf, Arthur P; Wu, Ruiqian

    2012-01-01

    Quantum wires, as a smallest electronic conductor, are expected to be a fundamental component in all quantum architectures. The electronic conductance in quantum wires, however, is often dictated by structural instabilities and electron localization at the atomic scale. Here we report on the evolutions of electronic transport as a function of temperature and interwire coupling as the quantum wires of GdSi{sub 2} are self-assembled on Si(100) wire-by-wire. The correlation between structure, electronic properties, and electronic transport are examined by combining nanotransport measurements, scanning tunneling microscopy, and density functional theory calculations. A metal-insulator transition is revealed in isolated nanowires, while a robust metallic state is obtained in wire bundles at low temperature. The atomic defects lead to electron localizations in isolated nanowire, and interwire coupling stabilizes the structure and promotes the metallic states in wire bundles. This illustrates how the conductance nature of a one-dimensional system can be dramatically modified by the environmental change on the atomic scale.

  8. Preparation for Acceleration and Deceleration of Cold Rydberg Atoms in the Field of a Charged Wire

    NASA Astrophysics Data System (ADS)

    Goodsell, Anne; Nawarat, Poomirat; Harper, W. Colleen

    2015-05-01

    We are preparing for experiments using cold Rydberg atoms in linear Stark states. We cool and launch Rb atoms at 2-12 m/s toward a charged wire with a cylindrically-symmetric electric field. The cold cloud will be illuminated in mid-flight to promote atoms into the desired Rydberg state (e.g. n = 33-40). With a three-photon sequence we will access nf states and the nearby manifolds (parabolic quantum number 0 <=n1 <= (n -4)) with linear Stark shifts. This requires specific detuning of the the excitation laser, which allows us to selectively compare states that are strongly accelerated to states that are strongly decelerated. With the wire at +10 V, atoms launched at 10 m/s, and excitation near 750 μm from the wire, the displacement during the Rydberg lifetime (e.g. n = 35, τ = 30 μs) will be 200-300 μm farther for extreme attracted states (n1 = 0) than for extreme repelled states (n1 = 31). Detection will occur by spatially-dependent field ionization. Observations of atoms with zero angular momentum around the wire can be extended to atoms with nonzero angular momentum and also to study the dynamics of Rydberg atoms with a quadratic Stark shift, building on previous work with ground-state atoms. (Current address: Rensselaer Polytechnic Institute, Troy, NY).

  9. Impurity-Mediated Early Condensation of a Charge Density Wave in an Atomic Wire Array.

    PubMed

    Yeom, Han Woong; Oh, Deok Mahn; Wippermann, Stefan; Schmidt, Wolf Gero

    2016-01-26

    We directly show how impurity atoms induce the condensation of a representative electronic phase, the charge density wave (CDW) phase, in atomic scale with scanning tunneling microscopy. Oxygen impurity atoms on the self-assembled metallic atomic wire array on a silicon crystal condense the CDW locally above the pristine transition temperature. More interestingly, the CDW along the wires is induced not by a single atomic impurity but by the cooperation of multiple impurities. First-principles calculations disclose the mechanism of the cooperation as the coherent superposition of the local lattice strain induced by impurities, stressing the coupled electronic and lattice degrees of freedom for the CDW. This opens the possibility of the strain engineering over electronic phases of atomic-scale systems. PMID:26634634

  10. Process for attaching molecular wires and devices to carbon nanotubes and compositions thereof

    NASA Technical Reports Server (NTRS)

    Tour, James M. (Inventor); Bahr, Jeffrey L. (Inventor); Yang, Jiping (Inventor)

    2008-01-01

    The present invention is directed towards processes for covalently attaching molecular wires and molecular electronic devices to carbon nanotubes and compositions thereof. Such processes utilize diazonium chemistry to bring about this marriage of wire-like nanotubes with molecular wires and molecular electronic devices.

  11. Wire melting and droplet atomization in a high velocity oxy-fuel jet

    SciTech Connect

    Neiser, R.A.; Brockmann, J.E.; O`Hern, T.J.

    1995-07-01

    Coatings produced by feeding a steel wire into a high-velocity oxy-fuel (HVOF) torch are being intensively studied by the automotive industry as a cost-effective alternative to the more expensive cast iron sleeves currently used in aluminum engine blocks. The microstructure and properties of the sprayed coatings and the overall economics of the process depend critically on the melting and atomization occurring at the wire tip. This paper presents results characterizing several aspects of wire melting and droplet breakup in an HVOF device. Fluctuations in the incandescent emission of the plume one centimeter downstream from the wire tip were recorded using a fast photodiode. A Fourier transform of the light traces provided a measure of the stripping rate of molten material from the wire tip. Simultaneous in-flight measurement of atomized particle size and velocity distributions were made using a Phase Doppler Particle Analyzer (PDPA). The recorded size distributions approximate a log-normal distribution. Small particles traveled faster than large particles, but the difference was considerably smaller than simple aerodynamic drag arguments would suggest. A set of experiments was carried out to determine the effect that variations in torch gas flow rates have on wire melt rate, average particle size, and average particle velocity. The observed variation of particle size with spray condition is qualitatively consistent with a Weber breakup of the droplets coming off the wire. The measurements also showed that it was possible to significantly alter atomized particle size and velocity without appreciably changing the wire melt rate.

  12. Local Atomic Density of Microporous Carbons

    SciTech Connect

    Dmowski, Wojtek; Contescu, Cristian I.; Llobet, Anna; Gallego, Nidia C.; Egami, Takeskhi

    2012-07-12

    We investigated the structure of two disordered carbons: activated carbon fibers (ACF) and ultramicroporous carbon (UMC). These carbons have highly porous structure with large surface areas and consequently low macroscopic density that should enhance adsorption of hydrogen. We used the atomic pair distribution function to probe the local atomic arrangements. The results show that the carbons maintain an in-plane local atomic structure similar to regular graphite, but the stacking of graphitic layers is strongly disordered. Although the local atomic density of these carbons is lower than graphite, it is only {approx}20% lower and is much higher than the macroscopic density due to the porosity of the structure. For this reason, the density of graphene sheets that have optimum separation for hydrogen adsorption is lower than anticipated.

  13. Local atomic density of microporous carbons

    SciTech Connect

    Dmowski, Wojtek; Contescu, Cristian I; Llobet, Anna; Gallego, Nidia C; Egami, Takeshi

    2011-01-01

    We investigated the structure of two disordered carbons: activated carbon fibers (ACF) and ultramicroporous carbon (UMC). These carbons have highly porous structure with large surface areas and consequently low macroscopic density that should enhance adsorption of hydrogen. We used the atomic pair distribution function to probe the local atomic arrangements. The results show that the carbons maintain an in-plane local atomic structure similar to regular graphite, but the stacking of graphitic layers is strongly disordered. Although the local atomic density of these carbons is lower than graphite, it is only ~20% lower and is much higher than the macroscopic density due to the porosity of the structure. For this reason, the density of graphene sheets that have optimum separation for hydrogen adsorption is lower than anticipated.

  14. Individual single-wall carbon nanotubes as quantum wires

    NASA Astrophysics Data System (ADS)

    Tans, Sander J.; Devoret, Michel H.; Dai, Hongjie; Thess, Andreas; Smalley, Richard E.; Geerligs, L. J.; Dekker, Cees

    1997-04-01

    Carbon nanotubes have been regarded since their discovery1 as potential molecular quantum wires. In the case of multi-wall nanotubes, where many tubes are arranged in a coaxial fashion, the electrical properties of individual tubes have been shown to vary strongly from tube to tube2,3, and to be characterized by disorder and localization4. Single-wall nanotubes5,6 (SWNTs) have recently been obtained with high yields and structural uniformity7. Particular varieties of these highly symmetric structures have been predicted to be metallic, with electrical conduction occurring through only two electronic modes8-10. Because of the structural symmetry and stiffness of SWNTs, their molecular wavefunctions may extend over the entire tube. Here we report electrical transport measurements on individual single-wall nanotubes that confirm these theoretical predictions. We find that SWNTs indeed act as genuine quantum wires. Electrical conduction seems to occur through well separated, discrete electron states that are quantum-mechanically coherent over long distance, that is at least from contact to contact (140nm). Data in a magnetic field indicate shifting of these states due to the Zeeman effect.

  15. Atomic carbon in the atmosphere of Venus

    NASA Technical Reports Server (NTRS)

    Fox, J. L.

    1982-01-01

    The densities of atomic carbon in the Venusian thermosphere are computed for a model which includes both chemistry and transport. The maximum density of C is 2.8 x 10 to the 7th per cu cm near 150 km for an assumed O2 mixing ratio of 0.0001. Photoionization of atomic carbon is found to be the major source of C(+) above 200 km, and resonance scattering of sunlight by atomic carbon may be the major source of the C I emissions at 1561 A, 1657 A, and 1931 A. The computed C(+) densities are found to be in substantial agreement with those measured by Pioneer Venus.

  16. Searching for efficient X-ray radiators for wire array Z-pinch plasmas using mid-atomic-number single planar wire arrays on Zebra at UNR

    NASA Astrophysics Data System (ADS)

    Safronova, A. S.; Esaulov, A. A.; Kantsyrev, V. L.; Ouart, N. D.; Shlyaptseva, V.; Weller, M. E.; Keim, S. F.; Williamson, K. M.; Shrestha, I.; Osborne, G. C.

    2011-12-01

    We continue to search for more efficient X-ray radiators from wire array Z-pinch plasmas. The results of recent experiments with single planar wire array (SPWA) loads made from mid-atomic-number material wires such as Alumel, Cu, Mo, and Ag are presented and compared. In particular, two new efficient X-ray radiators, Alumel (95% Ni, 2% Al, and 2% Si) and Ag, are introduced, and their radiative properties are discussed in detail. The experiments were performed on the 1 MA Zebra generator at UNR. The X-ray yields from such mid-atomic-number SPWAs exceed twice those from low-atomic-number SPWAs, such as Al, and increase with the atomic number to reach more than 27-29 kJ for Ag. To consider the main contributions to the total radiation, we divided the time interval of the Z-pinch dynamic where wire ablation and implosion, stagnation, and plasma expansion occur in corresponding phases and studied the radiative and implosion characteristics within them. Theoretical tools such as non-LTE kinetics and wire ablation dynamic models were applied in the data analysis. These results and the models developed have much broader applications, not only for SPWAs on Zebra, but for other HED plasmas with mid-atomic-number ions.

  17. Electronic conductance via atomic wires: a phase field matching theory approach

    NASA Astrophysics Data System (ADS)

    Szczęśniak, D.; Khater, A.

    2012-06-01

    A model is presented for the quantum transport of electrons, across finite atomic wire nanojunctions between electric leads, at zero bias limit. In order to derive the appropriate transmission and reflection spectra, familiar in the Landauer-Büttiker formalism, we develop the algebraic phase field matching theory (PFMT). In particular, we apply our model calculations to determine the electronic conductance for freely suspended monatomic linear sodium wires (MLNaW) between leads of the same element, and for the diatomic copper-cobalt wires (DLCuCoW) between copper leads on a Cu(111) substrate. Calculations for the MLNaW system confirm the correctness and functionality of our PFMT approach. We present novel transmission spectra for this system, and show that its transport properties exhibit the conductance oscillations for the odd- and even-number wires in agreement with previously reported first-principle results. The numerical calculations for the DLCuCoW wire nanojunctions are motivated by the stability of these systems at low temperatures. Our results for the transmission spectra yield for this system, at its Fermi energy, a monotonic exponential decay of the conductance with increasing wire length of the Cu-Co pairs. This is a cumulative effect which is discussed in detail in the present work, and may prove useful for applications in nanocircuits. Furthermore, our PFMT formalism can be considered as a compact and efficient tool for the study of the electronic quantum transport for a wide range of nanomaterial wire systems. It provides a trade-off in computational efficiency and predictive capability as compared to slower first-principle based methods, and has the potential to treat the conductance properties of more complex molecular nanojunctions.

  18. Stability of conductance oscillations in carbon atomic chains

    NASA Astrophysics Data System (ADS)

    Yu, Jing-Xin; Hou, Zhi-Wei; Liu, Xiu-Ying

    2015-06-01

    The conductance stabilities of carbon atomic chains (CACs) with different lengths are investigated by performing theoretical calculations using the nonequilibrium Green’s function method combined with density functional theory. Regular even-odd conductance oscillation is observed as a function of the wire length. This oscillation is influenced delicately by changes in the end carbon or sulfur atoms as well as variations in coupling strength between the chain and leads. The lowest unoccupied molecular orbital in odd-numbered chains is the main transmission channel, whereas the conductance remains relatively small for even-numbered chains and a significant drift in the highest occupied molecular orbital resonance toward higher energies is observed as the number of carbon atoms increases. The amplitude of the conductance oscillation is predicted to be relatively stable based on a thiol joint between the chain and leads. Results show that the current-voltage evolution of CACs can be affected by the chain length. The differential and second derivatives of the conductance are also provided. Project supported by the National Natural Science Foundation of China (Grant Nos. 11304079, 11404094, and 51201059), the Priority Scientific and Technological Project of Henan Province, China (Grant No. 14A140027), the School Fund (Grant No. 2012BS055), and the Plan of Natural Science Fundamental Research of Henan University of Technology, China (Grant No. 2014JCYJ15).

  19. Transport through single-channel atomic wires: Effects of connected sites on scattering phase and odd-even parity oscillations

    NASA Astrophysics Data System (ADS)

    Zhai, Feng; Xu, H. Q.

    2005-11-01

    Theoretical studies of scattering phase and odd-even parity oscillations of the conductance are presented for a finite atomic wire system, which is either connected with two single-channel leads or side-coupled to a single-channel perfect wire. The effects of connected sites on the scattering properties are examined. For a uniform atomic wire connected with two single-channel leads, it is found that when the number of atoms in the wire, n , and the two sequence numbers of the connected atomic sites, n1 and n2 (1⩽n1⩽n2⩽n) , satisfy the condition that (n+1)/gcd(n1,n+1-n2) is not an integer, the transmission coefficient, as a function of the incident electron energy, has zeros of second order. At these zeros the transmission phase is continuous. The zeros of the reflection coefficient, however, are always of first order, and the reflection phase has a lapse precisely by π at each of these zeros. For an atomic wire system side coupled to a perfect lead, the conclusions are reversed: the transmission zeros are always of first order, while the reflection zeros can be of high order. It is also shown that in this side-coupled configuration, both the transmission zeros and the reflection zeros are related to the generic properties of the isolated atomic wire system. The odd-even oscillations of the conductance have also been investigated for finite atomic wire systems in both configurations. It is found that the transmission of a finite atomic wire system depends not only on the parity of the number of atomic sites in the system, but also on the parity of the sequence numbers of the atomic sites through which the atomic wire system is connected with the leads. Finally, by taking a simple one-dimensional quantum wire system with several attached side branches as an example, we show that the transmission zeros of higher order can be found in a quantum system built from one-dimensional wires.

  20. Adsorbate-induced reconstruction of an array of atomic wires: Indium on the Si(553)-Au surface

    NASA Astrophysics Data System (ADS)

    Ahn, J. R.; Kang, P. G.; Byun, J. H.; Yeom, H. W.

    2008-01-01

    The In-induced surface reconstruction of the Si(553)-Au surface has been studied using the combined experiment of low-energy-electron diffraction, scanning tunneling microscopy, and angle-resolved photoemission spectroscopy. Low-energy-electron diffraction revealed that In adsorbates interact actively with the surface above 150°C , widening the terraces uniformly and forming a new atomic wire array. This wire structure has a ×2 period along the wires, where the phase coherence across the wires was much better than that of the pristine Si(553)-Au surface. The In-induced uniform terrace widening was confirmed by scanning tunneling microscopy. More interestingly, the In adsorbates alter the metallic atomic wires of the Si(553)-Au surface with highly dispersive one-dimensional bands into insulating ones with still large dispersion.

  1. Modelling of drawing and rolling of high carbon flat wires

    SciTech Connect

    Bobadilla, C.; Persem, N.; Foissey, S.

    2007-04-07

    In order to meet customer requirements, it is necessary to develop new flat wires with a high tensile strength and a high width/thickness ratio. These products are manufactured from wire rod. The first step is to draw the wire until we have the required mechanical properties and required surface area of the section. After this, the wire is rolled from a round to a rectangular section. During the flat rolling process it can be reduced by more than 50%. Then the wire is exposed to a high level of stress during this process. Modelling allows us to predetermine this stress level, taking into account the final dimensions and the mechanical properties, thus optimising both rolling and drawing process. Forge2005 was used in order to simulate these processes. The aim of this study is to determine the value of residual stresses after drawing and so to optimise rolling. Indeed, the highest stress values are reached at this step of the process by changing the section of the wire from a round to a rectangular one. In order to evaluate the stress value accuracy for high strain levels, a behaviour law has been identified. This is a result of tensile tests carried out at each step of the drawing process. Finally, a multi-axial damage criterion was implemented using Forge2005. The optimisation of the rolling is directly linked to the minimisation of this criterion.

  2. Atomic resolution studies of carbonic anhydrase II

    SciTech Connect

    Behnke, Craig A.; Le Trong, Isolde; Godden, Jeff W.; Merritt, Ethan A.; Teller, David C.; Bajorath, Jürgen; Stenkamp, Ronald E.

    2010-05-01

    The structure of human carbonic anhydrase II has been solved with a sulfonamide inhibitor at 0.9 Å resolution. Structural variation and flexibility is seen on the surface of the protein and is consistent with the anisotropic ADPs obtained from refinement. Comparison with 13 other atomic resolution carbonic anhydrase structures shows that surface variation exists even in these highly ordered isomorphous crystals. Carbonic anhydrase has been well studied structurally and functionally owing to its importance in respiration. A large number of X-ray crystallographic structures of carbonic anhydrase and its inhibitor complexes have been determined, some at atomic resolution. Structure determination of a sulfonamide-containing inhibitor complex has been carried out and the structure was refined at 0.9 Å resolution with anisotropic atomic displacement parameters to an R value of 0.141. The structure is similar to those of other carbonic anhydrase complexes, with the inhibitor providing a fourth nonprotein ligand to the active-site zinc. Comparison of this structure with 13 other atomic resolution (higher than 1.25 Å) isomorphous carbonic anhydrase structures provides a view of the structural similarity and variability in a series of crystal structures. At the center of the protein the structures superpose very well. The metal complexes superpose (with only two exceptions) with standard deviations of 0.01 Å in some zinc–protein and zinc–ligand bond lengths. In contrast, regions of structural variability are found on the protein surface, possibly owing to flexibility and disorder in the individual structures, differences in the chemical and crystalline environments or the different approaches used by different investigators to model weak or complicated electron-density maps. These findings suggest that care must be taken in interpreting structural details on protein surfaces on the basis of individual X-ray structures, even if atomic resolution data are available.

  3. Detection of gas atoms with carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Arash, B.; Wang, Q.

    2013-05-01

    Owning to their unparalleled sensitivity resolution, nanomechanical resonators have excellent capabilities in design of nano-sensors for gas detection. The current challenge is to develop new designs of the resonators for differentiating distinct gas atoms with a recognizably high sensitivity. In this work, the characteristics of impulse wave propagation in carbon nanotube-based sensors are investigated using molecular dynamics simulations to provide a new method for detection of noble gases. A sensitivity index based on wave velocity shifts in a single-walled carbon nanotube, induced by surrounding gas atoms, is defined to explore the efficiency of the nano-sensor. The simulation results indicate that the nano-sensor is able to differentiate distinct noble gases at the same environmental temperature and pressure. The inertia and the strengthening effects by the gases on wave characteristics of carbon nanotubes are particularly discussed, and a continuum mechanics shell model is developed to interpret the effects.

  4. Detection of gas atoms with carbon nanotubes

    PubMed Central

    Arash, B.; Wang, Q.

    2013-01-01

    Owning to their unparalleled sensitivity resolution, nanomechanical resonators have excellent capabilities in design of nano-sensors for gas detection. The current challenge is to develop new designs of the resonators for differentiating distinct gas atoms with a recognizably high sensitivity. In this work, the characteristics of impulse wave propagation in carbon nanotube-based sensors are investigated using molecular dynamics simulations to provide a new method for detection of noble gases. A sensitivity index based on wave velocity shifts in a single-walled carbon nanotube, induced by surrounding gas atoms, is defined to explore the efficiency of the nano-sensor. The simulation results indicate that the nano-sensor is able to differentiate distinct noble gases at the same environmental temperature and pressure. The inertia and the strengthening effects by the gases on wave characteristics of carbon nanotubes are particularly discussed, and a continuum mechanics shell model is developed to interpret the effects.

  5. 75 FR 21658 - Carbon and Certain Alloy Steel Wire Rod From Trinidad and Tobago

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... amended, 67 FR 68036 (Nov. 8, 2002). In accordance with sections 201.16(c) and 207.3 of the Commission's... COMMISSION Carbon and Certain Alloy Steel Wire Rod From Trinidad and Tobago AGENCY: United States... in the antidumping duty Investigation No. 731-TA-961 concerning carbon and certain alloy steel...

  6. CARBON BLACK DISPERSION PRE-PLATING TECHNOLOGY FOR PRINTED WIRE BOARD MANUFACTURING

    EPA Science Inventory

    This project compared chemical use, waste generation, cost, and product quality between electroless copper and carbon-black-based preplating technologies at the printed wire board (PWB). manufacturing facility of McCurdy Circuits in Orange, CA. he carbon-black based preplating te...

  7. Single-wire dye-sensitized solar cells wrapped by carbon nanotube film electrodes.

    PubMed

    Zhang, Sen; Ji, Chunyan; Bian, Zhuqiang; Liu, Runhua; Xia, Xinyuan; Yun, Daqin; Zhang, Luhui; Huang, Chunhui; Cao, Anyuan

    2011-08-10

    Conventional fiber-shaped polymeric or dye-sensitized solar cells (DSSCs) are usually made into a double-wire structure, in which a secondary electrode wire (e.g., Pt) was twisted along the primary core wire consisting of active layers. Here, we report highly flexible DSSCs based on a single wire, by wrapping a carbon nanotube film around Ti wire-supported TiO(2) tube arrays as the transparent electrode. Unlike a twisted Pt electrode, the CNT film ensures full contact with the underlying active layer, as well as uniform illumination along circumference through the entire DSSC. The single-wire DSSC shows a power conversion efficiency of 1.6% under standard illumination (AM 1.5, 100 mW/cm(2)), which is further improved to more than 2.6% assisted by a second conventional metal wire (Ag or Cu). Our DSSC wires are stable and can be bent to large angles up to 90° reversibly without performance degradation. PMID:21766836

  8. Oxygen atom loss coefficient of carbon nanowalls

    NASA Astrophysics Data System (ADS)

    Mozetic, Miran; Vesel, Alenka; Stoica, Silviu Daniel; Vizireanu, Sorin; Dinescu, Gheorghe; Zaplotnik, Rok

    2015-04-01

    Extremely high values of atomic oxygen loss coefficient on carbon nanowall (CNW) surface are reported. CNW layers consisting of interconnected individual nanostructures with average length of 1.1 μm, average thickness of 66 nm and surface density of 3 CNW/μm2 were prepared by plasma jet enhanced chemical-vapor deposition using C2H2/H2/Ar gas mixtures. The samples were characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM), transmission electron microscopy (TEM), Raman spectrometry (RS) as well as X-ray photoelectron spectroscopy (XPS). The surface loss coefficient was measured at room temperature in a flowing afterglow at different densities of oxygen atoms supplied from inductively coupled radiofrequency O2 plasma. The RF generator operated at 13.56 MHz and different nominal powers up to 900 W corresponding to different O-atom density in the afterglow up to 1.3 × 1021 m-3. CNW and several different samples of known coefficients for heterogeneous surface recombination of neutral oxygen atoms have been placed separately in the afterglow chamber and the O-atom density in their vicinity was measured with calibrated catalytic probes. Comparison of measured results allowed for determination of the loss coefficient for CNWs and the obtained value of 0.59 ± 0.03 makes this material an extremely effective sink for O-atoms.

  9. Cooperative interplay between impurities and charge density wave in the phase transition of atomic wires

    NASA Astrophysics Data System (ADS)

    Shim, Hyungjoon; Lee, Geunseop; Hyun, Jung-Min; Kim, Hanchul

    2015-09-01

    Impurities interact with a charge density wave (CDW) and affect the phase transitions in low-dimensional systems. By using scanning tunneling microscopy, we visualize the interaction between oxygen impurities and the CDW in indium atomic wires on Si(111), a prototypical one-dimensional electronic system, and unveil the microscopic mechanism of the intriguing O-induced increase of the transition temperature (Tc). Driven by the fluctuating CDW, the O atoms adopt an asymmetric structure. By adjusting the asymmetry, a pair of O impurities in close distance can pin the one-dimensional CDW, which develops into the two-dimensional domains. First-principles calculations showed that the asymmetric interstitially-incorporated O defects induce shear strains, which assists the formation of hexagon structure of the CDW phase. The cooperative interplay between the O impurities and the CDW is responsible for the enhancement of the CDW condensation and the consequent increase in Tc.

  10. Non-equilibrium 8π Josephson effect in atomic Kitaev wires.

    PubMed

    Laflamme, C; Budich, J C; Zoller, P; Dalmonte, M

    2016-01-01

    The identification of fractionalized excitations, such as Majorana quasi-particles, would be a striking signal of the realization of exotic quantum states of matter. While the paramount demonstration of such excitations would be a probe of their non-Abelian statistics via controlled braiding operations, alternative proposals exist that may be easier to access experimentally. Here we identify a signature of Majorana quasi-particles, qualitatively different from the behaviour of a conventional superconductor, which can be detected in cold atom systems using alkaline-earth-like atoms. The system studied is a Kitaev wire interrupted by an extra site, which gives rise to super-exchange coupling between two Majorana-bound states. We show that this system hosts a tunable, non-equilibrium Josephson effect with a characteristic 8π periodicity of the Josephson current. The visibility of the 8π periodicity of the Josephson current is then studied including the effects of dephasing and particle losses. PMID:27481540

  11. Atomic absorption determination of traces of cadmium in urine after electrodeposition onto a tungsten wire.

    PubMed

    Zhang, G; Li, J; Fu, D; Hao, D; Xiang, P

    1993-03-01

    A three-coil tungsten wire is used as electrode for the preconcentration of cadmium, which is then placed in a graphite tube for atomization and atomic absorption measurement. The heating parameters of the graphite furnace are optimized using the Modified and Weighted Centroid Simplex Method (MWCS), and computer program for automatic calculation. Sulphuric acid is selected as the supporting electrolyte for electrodeposition. The linear range of the calibration graph is 0.00-0.55 ng/ml. The detection limit is 0.01 ng/ml. For 0.1 ng/ml cadmium the coefficient of variation is 3.35% for ten parallel determinations. No interference occurs in the presence of more than 20 coexisting ions. Traces of cadmium in urine of normal people and in river water and the recoveries for cadmium are determined. The results are satisfactory. PMID:18965645

  12. Non-equilibrium 8π Josephson effect in atomic Kitaev wires

    NASA Astrophysics Data System (ADS)

    Laflamme, C.; Budich, J. C.; Zoller, P.; Dalmonte, M.

    2016-08-01

    The identification of fractionalized excitations, such as Majorana quasi-particles, would be a striking signal of the realization of exotic quantum states of matter. While the paramount demonstration of such excitations would be a probe of their non-Abelian statistics via controlled braiding operations, alternative proposals exist that may be easier to access experimentally. Here we identify a signature of Majorana quasi-particles, qualitatively different from the behaviour of a conventional superconductor, which can be detected in cold atom systems using alkaline-earth-like atoms. The system studied is a Kitaev wire interrupted by an extra site, which gives rise to super-exchange coupling between two Majorana-bound states. We show that this system hosts a tunable, non-equilibrium Josephson effect with a characteristic 8π periodicity of the Josephson current. The visibility of the 8π periodicity of the Josephson current is then studied including the effects of dephasing and particle losses.

  13. Non-equilibrium 8π Josephson effect in atomic Kitaev wires

    PubMed Central

    Laflamme, C.; Budich, J. C.; Zoller, P.; Dalmonte, M.

    2016-01-01

    The identification of fractionalized excitations, such as Majorana quasi-particles, would be a striking signal of the realization of exotic quantum states of matter. While the paramount demonstration of such excitations would be a probe of their non-Abelian statistics via controlled braiding operations, alternative proposals exist that may be easier to access experimentally. Here we identify a signature of Majorana quasi-particles, qualitatively different from the behaviour of a conventional superconductor, which can be detected in cold atom systems using alkaline-earth-like atoms. The system studied is a Kitaev wire interrupted by an extra site, which gives rise to super-exchange coupling between two Majorana-bound states. We show that this system hosts a tunable, non-equilibrium Josephson effect with a characteristic 8π periodicity of the Josephson current. The visibility of the 8π periodicity of the Josephson current is then studied including the effects of dephasing and particle losses. PMID:27481540

  14. Carbon nanospikes grown on metal wires as microelectrode sensors for dopamine.

    PubMed

    Zestos, Alexander G; Yang, Cheng; Jacobs, Christopher B; Hensley, Dale; Venton, B Jill

    2015-11-01

    Carbon nanomaterials are advantageous as electrodes for neurotransmitter detection, but the difficulty of nanomaterials deposition on electrode substrates limits the reproducibility and future applications. In this study, we used plasma enhanced chemical vapor deposition (PECVD) to directly grow a thin layer of carbon nanospikes (CNS) on cylindrical metal substrates. No catalyst is required and the CNS surface coverage is uniform over the cylindrical metal substrate. The CNS growth was characterized on several metallic substrates including tantalum, niobium, palladium, and nickel wires. Using fast-scan cyclic voltammetry (FSCV), bare metal wires could not detect 1 μM dopamine while carbon nanospike coated wires could. The highest sensitivity and optimized S/N ratio was recorded from carbon nanospike-tantalum (CNS-Ta) microwires grown for 7.5 minutes, which had a LOD of 8 ± 2 nM for dopamine with FSCV. CNS-Ta microelectrodes were more reversible and had a smaller ΔE(p) for dopamine than carbon-fiber microelectrodes, suggesting faster electron transfer kinetics. The kinetics of dopamine redox were adsorption controlled at CNS-Ta microelectrodes and repeated electrochemical measurements displayed stability for up to ten hours in vitro and over a ten day period as well. The oxidation potential was significantly different for ascorbic acid and uric acid compared to dopamine. Growing carbon nanospikes on metal wires is a promising method to produce uniformly-coated, carbon nanostructured cylindrical microelectrodes for sensitive dopamine detection. PMID:26389138

  15. Carbon nanospikes grown on metal wires as microelectrode sensors for dopamine

    DOE PAGESBeta

    Zestos, Alexander G.; Yang, Cheng; Jacobs, Christopher B.; Hensley, Dale; Venton, B. Jill

    2015-09-14

    Carbon nanomaterials are advantageous as electrodes for neurotransmitter detection, but the difficulty of nanomaterials deposition on electrode substrates limits the reproducibility and future applications. In our study, we used plasma enhanced chemical vapor deposition (PECVD) to directly grow a thin layer of carbon nanospikes (CNS) on cylindrical metal substrates. No catalyst is required and the CNS surface coverage is uniform over the cylindrical metal substrate. We characterized the CNS growth on several metallic substrates including tantalum, niobium, palladium, and nickel wires. Using fast-scan cyclic voltammetry (FSCV), bare metal wires could not detect 1 mu M dopamine while carbon nanospike coatedmore » wires could. Moreover, the highest sensitivity and optimized S/N ratio was recorded from carbon nanospike-tantalum (CNS-Ta) microwires grown for 7.5 minutes, which had a LOD of 8 +/- 2 nM for dopamine with FSCV. CNS-Ta microelectrodes were more reversible and had a smaller Delta E-p for dopamine than carbon-fiber microelectrodes, suggesting faster electron transfer kinetics. The kinetics of dopamine redox were adsorption controlled at CNS-Ta microelectrodes and repeated electrochemical measurements displayed stability for up to ten hours in vitro and over a ten day period as well. The oxidation potential was significantly different for ascorbic acid and uric acid compared to dopamine. Finally, growing carbon nanospikes on metal wires is a promising method to produce uniformly-coated, carbon nanostructured cylindrical microelectrodes for sensitive dopamine detection.« less

  16. Carbon nanospikes grown on metal wires as microelectrode sensors for dopamine

    SciTech Connect

    Zestos, Alexander G.; Yang, Cheng; Jacobs, Christopher B.; Hensley, Dale; Venton, B. Jill

    2015-09-14

    Carbon nanomaterials are advantageous as electrodes for neurotransmitter detection, but the difficulty of nanomaterials deposition on electrode substrates limits the reproducibility and future applications. In our study, we used plasma enhanced chemical vapor deposition (PECVD) to directly grow a thin layer of carbon nanospikes (CNS) on cylindrical metal substrates. No catalyst is required and the CNS surface coverage is uniform over the cylindrical metal substrate. We characterized the CNS growth on several metallic substrates including tantalum, niobium, palladium, and nickel wires. Using fast-scan cyclic voltammetry (FSCV), bare metal wires could not detect 1 mu M dopamine while carbon nanospike coated wires could. Moreover, the highest sensitivity and optimized S/N ratio was recorded from carbon nanospike-tantalum (CNS-Ta) microwires grown for 7.5 minutes, which had a LOD of 8 +/- 2 nM for dopamine with FSCV. CNS-Ta microelectrodes were more reversible and had a smaller Delta E-p for dopamine than carbon-fiber microelectrodes, suggesting faster electron transfer kinetics. The kinetics of dopamine redox were adsorption controlled at CNS-Ta microelectrodes and repeated electrochemical measurements displayed stability for up to ten hours in vitro and over a ten day period as well. The oxidation potential was significantly different for ascorbic acid and uric acid compared to dopamine. Finally, growing carbon nanospikes on metal wires is a promising method to produce uniformly-coated, carbon nanostructured cylindrical microelectrodes for sensitive dopamine detection.

  17. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1986-11-15

    Research has been continued on hot silicon, germanium and carbon atoms. Progress in the period November 16, 1985 to November 15, 1986 is reviewed in the following areas: (1) Recoil atom reaction studies. (2) Reactions of thermally generated free atoms.

  18. High strength, low carbon, dual phase steel rods and wires and process for making same

    DOEpatents

    Thomas, Gareth; Nakagawa, Alvin H.

    1986-01-01

    A high strength, high ductility, low carbon, dual phase steel wire, bar or rod and process for making the same is provided. The steel wire, bar or rod is produced by cold drawing to the desired diameter in a single multipass operation a low carbon steel composition characterized by a duplex microstructure consisting essentially of a strong second phase dispersed in a soft ferrite matrix with a microstructure and morphology having sufficient cold formability to allow reductions in cross-sectional area of up to about 99.9%. Tensile strengths of at least 120 ksi to over 400 ksi may be obtained.

  19. Hopping Domain Wall Induced by Paired Adatoms on an Atomic Wire: Si(111)-(5×2)-Au

    NASA Astrophysics Data System (ADS)

    Kang, Pil-Gyu; Jeong, Hojin; Yeom, Han Woong

    2008-04-01

    We observed an inhomogeneous fluctuation along one-dimensional atomic wires self-assembled on a Si(111) surface using scanning tunneling microscopy. The fluctuation exhibits dynamic behavior at room temperature and is observed only in a specific geometric condition; the spacing between two neighboring adatom defects is discommensurate with the wire lattice. Upon cooling, the dynamic fluctuation freezes to show the existence of an atomic-scale dislocation or domain wall induced by such “unfavorably” paired adatoms. The microscopic characteristics of the dynamic fluctuation are explained in terms of a hopping solitonic domain wall, and a local potential for this motion imposed by the adatoms is quantified.

  20. Carbon nanotube atomic force microscopy probes

    NASA Astrophysics Data System (ADS)

    Yamanaka, Shigenobu; Okawa, Takashi; Akita, Seiji; Nakayama, Yoshikazu

    2005-05-01

    We have developed a carbon nanotube atomic force microscope probe. Because the carbon nanotube are well known to have high aspect ratios, small tip radii and high stiffness, carbon nanotube probes have a long lifetime and can be applied for the observation deep trenches. Carbon nanotubes were synthesized by a well-controlled DC arc discharge method, because this method can make nanotubes to have straight shape and high crystalline. The nanotubes were aligned on the knife-edge using an alternating current electrophoresis technique. A commercially available Si probe was used for the base of the nanotube probe. The nanotube probe was fabricated by the SEM manipulation method. The nanotube was then attached tightly to the Si probe by deposition of amorphous carbon. We demonstrate the measurement of a fine pith grating that has vertical walls. However, a carbon nanotube has a problem that is called "Sticking". The sticking is a chatter image on vertical like region in a sample. We solved this problem by applying 2 methods, 1. a large cantilever vibration amplitude in tapping mode, 2. an attractive mode measurement. We demonstrate the non-sticking images by these methods.

  1. Texturing Carbon-carbon Composite Radiator Surfaces Utilizing Atomic Oxygen

    NASA Technical Reports Server (NTRS)

    Raack, Taylor

    2004-01-01

    Future space nuclear power systems will require radiator technology to dissipate excess heat created by a nuclear reactor. Large radiator fins with circulating coolant are in development for this purpose and an investigation of how to make them most efficient is underway. Maximizing the surface area while minimizing the mass of such radiator fins is critical for obtaining the highest efficiency in dissipating heat. Processes to develop surface roughness are under investigation to maximize the effective surface area of a radiator fin. Surface roughness is created through several methods including oxidation and texturing. The effects of atomic oxygen impingement on carbon-carbon surfaces are currently being investigated for texturing a radiator surface. Early studies of atomic oxygen impingement in low Earth orbit indicate significant texturing due to ram atomic oxygen. The surface morphology of the affected surfaces shows many microscopic cones and valleys which have been experimentally shown to increase radiation emittance. Further study of this morphology proceeded in the Long Duration Exposure Facility (LDEF). Atomic oxygen experiments on the LDEF successfully duplicated the results obtained from materials in spaceflight by subjecting samples to 4.5 eV atomic oxygen from a fixed ram angle. These experiments replicated the conical valley morphology that was seen on samples subjected to low Earth orbit.

  2. Laccase wiring on free-standing electrospun carbon nanofibres using a mediator plug.

    PubMed

    Bourourou, M; Holzinger, M; Elouarzaki, K; Le Goff, A; Bossard, F; Rossignol, C; Djurado, E; Martin, V; Curtil, D; Chaussy, D; Maaref, A; Cosnier, S

    2015-10-01

    Electrospun carbon nanofibres (CNFs) containing CNTs were produced by electrospinning and subsequent thermal treatment. This material was evaluated as a bioelectrode for biofuel cell applications after covalent grafting of laccase. Bis-pyrene-modified ABTS was used as a plug to wire laccase to the nanofibres leading to a maximum current density of 100 μA cm(-2). PMID:26083202

  3. Functionalization of Carbon Nanotubes using Atomic Hydrogen

    NASA Technical Reports Server (NTRS)

    Khare, Bishun N.; Cassell, Alan M.; Nguyen, Cattien V.; Meyyappan, M.; Han, Jie; Arnold, Jim (Technical Monitor)

    2001-01-01

    We have investigated the irradiation of multi walled and single walled carbon nanotubes (SWNTs) with atomic hydrogen. After irradiating the SWNT sample, a band at 2940/cm (3.4 microns) that is characteristic of the C-H stretching mode is observed using Fourier transform infrared (FTIR) spectroscopy. Additional confirmation of SWNT functionalization is tested by irradiating with atomic deuterium. A weak band in the region 1940/cm (5.2 micron) to 2450/cm (4.1 micron) corresponding to C-D stretching mode is also observed in the FTIR spectrum. This technique provides a clean gas phase process for the functionalization of SWNTs, which could lead to further chemical manipulation and/or the tuning of the electronic properties of SWNTs for nanodevice applications.

  4. Mechanical behavior of ultrahigh strength ultrahigh carbon steel wire and rod

    SciTech Connect

    Lesuer, D.R.; Syn, C.K.; Sberby, O.D.; Whittenherger, W.D.

    1997-07-22

    Ultrahigh-carbon steels (UHCSS) can achieve very high strengths in wire or rod form. These high strengths result from the mechanical work introduced during wire and rod processing. These strengths have been observed to increase with carbon content. In wire form, tensile strengths approaching 6000 MPa are predicted for UHCS containing 1. 8%C. In this paper, we will discuss the influence of processing (including rapid transformation during wire patenting) and micros ct- ure on the mechanical behavior of UHCS wire. The tensile properties of as- extruded rods are described as a function of extrusion temperature and composition. For spheroidized steels, yield and ultimate tensile strength are a function of grain size, interparticle spacing and particle size. For pearlitic steels, yield and ultimate strength were found to be functions of colony size, carbide size and plate spacing and orientation. Alloying additions (such as C, Cr, Si, Al and Co) can influence the effect of processing on these microstructural features. For spheroidized steels, fracture was found to be a function of the size of coarse carbides and of composition.

  5. Influence of severe plastic deformation on the structure and properties of ultrahigh carbon steel wire

    SciTech Connect

    Leseur, D R; Sherby, O D; Syn, C K

    1999-07-01

    Ultrahigh-carbon steel wire can achieve very high strength after severe plastic deformation, because of the fine, stable substructures produce. Tensile strengths approaching 6000 MPa are predicted for UHCS containing 1.8%C. This paper discusses the microstructural evolution during drawing of UHCS wire, the resulting strength produced and the factors influencing fracture. Drawing produces considerable alignment of the pearlite plates. Dislocation cells develop within the ferrite plates and, with increasing strain, the size normal to the axis ({lambda}) decreases. These dislocation cells resist dynamic recovery during wire drawing and thus extremely fine substructures can be developed ({lambda} < 10 nm). Increasing the carbon content reduces the mean free ferrite path in the as-patented wire and the cell size developed during drawing. For UHCS, the strength varies as {lambda}{sup {minus}5}. Fracture of these steels was found to be a function of carbide size and composition. The influence of processing and composition on achieving high strength in these wires during severe plastic deformation is discussed.

  6. Novel graphene/carbon nanotube composite fibers for efficient wire-shaped miniature energy devices.

    PubMed

    Sun, Hao; You, Xiao; Deng, Jue; Chen, Xuli; Yang, Zhibin; Ren, Jing; Peng, Huisheng

    2014-05-01

    Novel nanostructured composite fibers based on graphene and carbon nanotubes are developed with high tensile strength, electrical conductivity, and electrocatalytic activity. As two application demonstrations, these composite fibers are used to fabricate flexible, wire-shaped dye-sensitized solar cells and electrochemical supercapacitors, both with high performances, for example, a maximal energy conversion efficiency of 8.50% and a specific capacitance of ca. 31.50 F g(-1). These miniature wire-shaped devices are further shown to be promising for flexible and portable electronic facilities. PMID:24464762

  7. Effects of gapless bosonic fluctuations on Majorana fermions in an atomic wire coupled to a molecular reservoir

    NASA Astrophysics Data System (ADS)

    Hu, Ying; Baranov, Mikhail A.

    2015-11-01

    We discuss the effects of quantum and thermal fluctuations on the Majorana edge states in a topological atomic wire coupled to a superfluid molecular gas with gapless excitations. We find that the coupling between the Majorana edge states remains exponentially decaying with the length of the wire, even at finite temperatures smaller than the energy gap for bulk excitations in the wire. This exponential dependence is controlled solely by the localization length of the Majorana states. The fluctuations, on the other hand, provide the dominant contribution to the preexponential factor, which increases with temperature and the length of the wire. More important is that thermal fluctuations give rise to a decay of an initial correlation between Majorana edge states to its stationary value after some thermalization time. This stationary value is sensitive to the temperature and to the length of the wire and, although vanishing in the thermodynamic limit, can still be feasible in a mesoscopic system at sufficiently low temperatures. The thermalization time, on the other hand, is found to be much larger than the typical time scales in the wire and is sufficient for quantum operations with Majorana fermions before the temperature-induced decoherence sets in.

  8. Bonding Mechanisms in Resistance Microwelding of 316 Low-Carbon Vacuum Melted Stainless Steel Wires

    NASA Astrophysics Data System (ADS)

    Khan, M. I.; Kim, J. M.; Kuntz, M. L.; Zhou, Y.

    2009-04-01

    Resistance microwelding (RMW) is an important joining process used in the fabrication of miniature instruments, such as electrical and medical devices. The excellent corrosion resistance of 316 low-carbon vacuum melted (LVM) stainless steel (SS) wire makes it ideal for biomedical applications. The current study examines the microstructure and mechanical properties of crossed resistance microwelded 316LVM wire. Microtensile and microhardness testing was used to analyze the mechanical performance of welds, and fracture surfaces were examined using scanning electron microscopy. Finally, a bonding mechanism is proposed based on optimum joint breaking force (JBF) using metallurgical observations of weld cross sections. Moreover, comparisons with RMWs of Ni, Au-plated Ni, and SUS304 SS wire are discussed.

  9. A highly sensitive method for the determination of mercury using vapor generation gold wire microextraction and electrothermal atomic absorption spectrometry

    NASA Astrophysics Data System (ADS)

    Hashemi, Payman; Rahimi, Akram

    2007-04-01

    The study introduces a new simple and highly sensitive method for headspace solid phase microextraction (HS-SPME) coupled with electrothermal atomic absorption spectrometric determination of mercury. In the proposed method, a gold wire, mounted in the headspace of a sample solution in a sealed bottle, is used for collection of mercury vapor generated by addition of sodium tetrahydroborate. The gold wire is then simply inserted in the sample introduction hole of a graphite furnace of an electrothermal atomic absorption spectrometry instrument. By applying an atomization temperature of 600 °C, mercury is rapidly desorbed from the wire and determined with high sensitivity. Factorial design and response surface analysis methods were used for optimization of the effect of five different variables in order to maximize the mercury signal. By using a 0.75 mm diameter gold wire, a sample volume of about 8 ml and an extraction time of 11 min, the sensitivity of mercury determination was enhanced up to 10 4 times in comparison to its ordinary ETAAS determination with direct injection of 10 μl sample solutions. A detection limit of 0.006 ng ml - 1 and a precision better than 4.6% (relative standard deviation) were obtained. The method was successfully applied to the determination of mercury in industrial wastewaters and tuna fish samples.

  10. Semiconductor Nanorod–Carbon Nanotube Biomimetic Films for Wire-Free Photostimulation of Blind Retinas

    PubMed Central

    2014-01-01

    We report the development of a semiconductor nanorod-carbon nanotube based platform for wire-free, light induced retina stimulation. A plasma polymerized acrylic acid midlayer was used to achieve covalent conjugation of semiconductor nanorods directly onto neuro-adhesive, three-dimensional carbon nanotube surfaces. Photocurrent, photovoltage, and fluorescence lifetime measurements validate efficient charge transfer between the nanorods and the carbon nanotube films. Successful stimulation of a light-insensitive chick retina suggests the potential use of this novel platform in future artificial retina applications. PMID:25350365

  11. Carbon nanotube (CNT) fins for enhanced cooling of shape memory alloy wire

    NASA Astrophysics Data System (ADS)

    Pathak, Anupam; AuBuchon, Joseph; Brei, Diann; Shaw, John; Luntz, Jonathan; Jin, Sungho

    2008-03-01

    A commonly noted disadvantage of shape memory alloys is their frequency response which is limited by how fast the material can be cooled. This paper presents a feasibility study of using vertically aligned carbon nanotubes (CNT) as microscopic cooling fins to improve convective heat transfer. Using DC plasma enhanced chemical vapor deposition (PECVD), aligned CNT's were successfully grown directly on ½ of the surface of a 0.38 mm diameter SMA wire, achieving desirable thermal contact. Cooling speeds were measured with a thermal imaging camera, and the effective convective coefficient was extracted from the temperature profiles using a basic cooling model of the wire. From this model, the effective convective coefficient was estimated to have increased by 24% (from 50 W/m2K for untreated SMA wire to 62 W/m2K for the nanotube treated wire), indicating that the deposition of CNT's indeed increased performance. By extrapolating these results to full wire coverage, up to a 46% improvement in frequency response with zero weight or volumetric penalties is predicted. Further improvements in cooling performance are likely to occur with higher CNT densities and longer nanotube lengths, allowing further developments of this technology to benefit many future applications utilizing high-speed miniature/micro-scale SMA actuators.

  12. Thermoelectric voltage measurements of atomic and molecular wires using microheater-embedded mechanically-controllable break junctions

    NASA Astrophysics Data System (ADS)

    Morikawa, Takanori; Arima, Akihide; Tsutsui, Makusu; Taniguchi, Masateru

    2014-06-01

    We developed a method for simultaneous measurements of conductance and thermopower of atomic and molecular junctions by using a microheater-embedded mechanically-controllable break junction. We find linear increase in the thermoelectric voltage of Au atomic junctions with the voltage added to the heater. We also detect thermopower oscillations at several conductance quanta reflecting the quantum confinement effects in the atomic wire. Under high heater voltage conditions, on the other hand, we observed a peculiar behaviour in the conductance dependent thermopower, which was ascribed to a disordered contact structure under elevated temperatures.

  13. 78 FR 60850 - Carbon and Certain Alloy Steel Wire Rod From Brazil: Final Results of the Expedited Second Sunset...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-10-02

    ... Alloy Steel Wire Rod from Brazil, 67 FR 55805 (August 30, 2002). \\2\\ See Initiation of Five-Year (``Sunset'') Review, 78 FR 33063 (June 3, 2013). On June 18, 2013, the Department received a notice of... International Trade Administration Carbon and Certain Alloy Steel Wire Rod From Brazil: Final Results of...

  14. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1989-02-01

    Research has been continued on hot silicon, germanium and carbon atoms. The results of experiments directed toward attaining the goals of this research program are briefly presented for the period September 1, 1987 to January 31, 1989 in sections entitled: (1) The mechanism of hydrogen acquisition by high energy silicon atoms. (2) The mechanism of disilene formation in the reactions of recoiling silicon atoms with silane. (3) The contribution of ionic processes to the primary reactions of recoiling silicon atoms. (4) The role of phosphine in hydrogen acquisition by recoiling silicon atoms. (5) Mechanism of reaction of recoiling carbon atoms with aromatic molecules.

  15. Atomic Carbon in the Southern Milky Way

    NASA Astrophysics Data System (ADS)

    Oka, Tomoharu; Kamegai, Kazuhisa; Hayashida, Masaaki; Nagai, Makoto; Ikeda, Masafumi; Kuboi, Nobuyuki; Tanaka, Kunihiko; Bronfman, Leonardo; Yamamoto, Satoshi

    2005-04-01

    We present a coarsely sampled longitude-velocity (l-V) map of the region l=300deg-354°, b=0deg in the 492 GHz fine-structure transition of neutral atomic carbon (C0 3P1-3P0 [C I]), observed with the Portable 18 cm Submillimeter-wave Telescope (POST18). The l-V distribution of the [C I] emission resembles closely that of the CO J=1-0 emission, showing a widespread distribution of atomic carbon on the Galactic scale. The ratio of the antenna temperatures, RCI/CO, concentrates on the narrow range from 0.05 to 0.3. A large velocity gradient (LVG) analysis shows that the [C I] emission from the Galactic disk is dominated by a population of neutral gas with high C0/CO abundance ratios and moderate column densities, which can be categorized as diffuse translucent clouds. The ratio of bulk emissivity, JCI/JCO, shows a systematic trend, suggesting the bulk C0/CO abundance ratio increasing with the Galactic radius. A mechanism related to kiloparsec-scale structure of the Galaxy may control the bulk C0/CO abundance ratio in the Galactic disk. Two groups of high-ratio (RCI/CO>0.3) areas reside in the l-V loci several degrees inside of tangential points of the Galactic spiral arms. These could be gas condensations just accumulated in the potential well of spiral arms and be in the early stages of molecular cloud formation.

  16. Carbon nanotube wires and cables: near-term applications and future perspectives.

    PubMed

    Jarosz, Paul; Schauerman, Christopher; Alvarenga, Jack; Moses, Brian; Mastrangelo, Thomas; Raffaelle, Ryne; Ridgley, Richard; Landi, Brian

    2011-11-01

    Wires and cables are essential to modern society, and opportunities exist to develop new materials with reduced resistance, mass, and/or susceptibility to fatigue. This article describes how carbon nanotubes (CNTs) offer opportunities for integration into wires and cables for both power and data transmission due to their unique physical and electronic properties. Macroscopic CNT wires and ribbons are presently shown as viable replacements for metallic conductors in lab-scale demonstrations of coaxial, USB, and Ethernet cables. In certain applications, such as the outer conductor of a coaxial cable, CNT materials may be positioned to displace metals to achieve substantial benefits (e.g. reduction in cable mass per unit length (mass/length) up to 50% in some cases). Bulk CNT materials possess several unique properties which may offer advantages over metallic conductors, such as flexure tolerance and environmental stability. Specifically, CNT wires were observed to withstand greater than 200,000 bending cycles without increasing resistivity. Additionally, CNT wires exhibit no increase in resistivity after 80 days in a corrosive environment (1 M HCl), and little change in resistivity with temperature (<1% from 170-330 K). This performance is superior to conventional metal wires and truly novel for a wiring material. However, for CNTs to serve as a full replacement for metals, the electrical conductivity of CNT materials must be improved. Recently, the conductivity of a CNT wire prepared through simultaneous densification and doping has exceeded 1.3 × 10(6) S/m. This level of conductivity brings CNTs closer to copper (5.8 × 10(7) S/m) and competitive with some metals (e.g. gold) on a mass-normalized basis. Developments in manipulation of CNT materials (e.g. type enrichment, doping, alignment, and densification) have shown progress towards this goal. In parallel with efforts to improve bulk conductivity, integration of CNT materials into cabling architectures will

  17. Stretchable glucose biofuel cell with wirings made of multiwall carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Fujimagari, Yusuke; Nishioka, Yasushiro

    2015-12-01

    In this study, we fabricated a flexible and stretchable glucose-biofuel cell with wirings made of multi wall carbon nanotube (MWCNTs) on a polydimethylsiloxane substrate. The biofuel cell investigated consists of a porous carbon anode (area of 30 mm2) modified by glucose oxidase and ferrocene, and a cathode (area of 30 mm2) modified by bilirubin oxidase. The anode and the cathode were connected with the MWCNT wirings. The maximum power of 0.31 μW at 76.6 mV, which corresponds to a power density of 1.04 μW/cm2, was realized by immersing the biofuel cell in a phosphate buffer solution with a glucose concentration of 100 mM, at room temperature.

  18. Structurally uniform and atomically precise carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Segawa, Yasutomo; Ito, Hideto; Itami, Kenichiro

    2016-01-01

    Nanometre-sized carbon materials consisting of benzene units oriented in unique geometric patterns, hereafter named nanocarbons, conduct electricity, absorb and emit light, and exhibit interesting magnetic properties. Spherical fullerene C60, cylindrical carbon nanotubes and sheet-like graphene are representative forms of nanocarbons, and theoretical simulations have predicted several exotic 3D nanocarbon structures. At present, synthetic routes to nanocarbons mainly lead to mixtures of molecules with a range of different structures and properties, which cannot be easily separated or refined into pure forms. Some researchers believe that it is impossible to synthesize these materials in a precise manner. Obtaining ‘pure’ nanocarbons is a great challenge in the field of nanocarbon science, and the construction of structurally uniform nanocarbons, ideally as single molecules, is crucial for the development of functional materials in nanotechnology, electronics, optics and biomedical applications. This Review highlights the organic chemistry approach — more specifically, bottom-up construction with atomic precision — that is currently the most promising strategy towards this end.

  19. Carbon nanotube-clamped metal atomic chain

    PubMed Central

    Tang, Dai-Ming; Yin, Li-Chang; Li, Feng; Liu, Chang; Yu, Wan-Jing; Hou, Peng-Xiang; Wu, Bo; Lee, Young-Hee; Ma, Xiu-Liang; Cheng, Hui-Ming

    2010-01-01

    Metal atomic chain (MAC) is an ultimate one-dimensional structure with unique physical properties, such as quantized conductance, colossal magnetic anisotropy, and quantized magnetoresistance. Therefore, MACs show great potential as possible components of nanoscale electronic and spintronic devices. However, MACs are usually suspended between two macroscale metallic electrodes; hence obvious technical barriers exist in the interconnection and integration of MACs. Here we report a carbon nanotube (CNT)-clamped MAC, where CNTs play the roles of both nanoconnector and electrodes. This nanostructure is prepared by in situ machining a metal-filled CNT, including peeling off carbon shells by spatially and elementally selective electron beam irradiation and further elongating the exposed metal nanorod. The microstructure and formation process of this CNT-clamped MAC are explored by both transmission electron microscopy observations and theoretical simulations. First-principles calculations indicate that strong covalent bonds are formed between the CNT and MAC. The electrical transport property of the CNT-clamped MAC was experimentally measured, and quantized conductance was observed. PMID:20427743

  20. Carbon based thirty six atom spheres

    DOEpatents

    Piskoti, Charles R.; Zettl, Alex K.; Cohen, Marvin L.; Cote, Michel; Grossman, Jeffrey C.; Louie, Steven G.

    2005-09-06

    A solid phase or form of carbon is based on fullerenes with thirty six carbon atoms (C.sub.36). The C.sub.36 structure with D.sub.6h symmetry is one of the two most energetically favorable, and is conducive to forming a periodic system. The lowest energy crystal is a highly bonded network of hexagonal planes of C.sub.36 subunits with AB stacking. The C.sub.36 solid is not a purely van der Waals solid, but has covalent-like bonding, leading to a solid with enhanced structural rigidity. The solid C.sub.36 material is made by synthesizing and selecting out C.sub.36 fullerenes in relatively large quantities. A C.sub.36 rich fullerene soot is produced in a helium environment arc discharge chamber by operating at an optimum helium pressure (400 torr). The C.sub.36 is separated from the soot by a two step process. The soot is first treated with a first solvent, e.g. toluene, to remove the higher order fullerenes but leave the C.sub.36. The soot is then treated with a second solvent, e.g. pyridine, which is more polarizable than the first solvent used for the larger fullerenes. The second solvent extracts the C.sub.36 from the soot. Thin films and powders can then be produced from the extracted C.sub.36. Other materials are based on C.sub.36 fullerenes, providing for different properties.

  1. Landauer-Type Transport Theory for Interacting Quantum Wires: Application to Carbon Nanotube Y Junctions

    NASA Astrophysics Data System (ADS)

    Chen, S.; Trauzettel, B.; Egger, R.

    2002-11-01

    We propose a Landauerlike theory for nonlinear transport in networks of one-dimensional interacting quantum wires (Luttinger liquids). A concrete example of current experimental focus is given by carbon nanotube Y junctions. Our theory has three basic ingredients that allow one to explicitly solve this transport problem: (i) radiative boundary conditions to describe the coupling to external leads, (ii) the Kirchhoff node rule describing charge conservation, and (iii) density matching conditions at every node.

  2. Landauer-type transport theory for interacting quantum wires: application to carbon nanotube y junctions.

    PubMed

    Chen, S; Trauzettel, B; Egger, R

    2002-11-25

    We propose a Landauerlike theory for nonlinear transport in networks of one-dimensional interacting quantum wires (Luttinger liquids). A concrete example of current experimental focus is given by carbon nanotube Y junctions. Our theory has three basic ingredients that allow one to explicitly solve this transport problem: (i) radiative boundary conditions to describe the coupling to external leads, (ii) the Kirchhoff node rule describing charge conservation, and (iii) density matching conditions at every node. PMID:12485088

  3. Chains of carbon atoms: A vision or a new nanomaterial?

    PubMed

    Banhart, Florian

    2015-01-01

    Linear strings of sp(1)-hybridized carbon atoms are considered as a possible phase of carbon since decades. Whereas the debate about the stability of the corresponding bulk phase carbyne continues until today, the existence of isolated chains of carbon atoms has meanwhile been corroborated experimentally. Since graphene, as the two-dimensional sp(2)-bonded allotrope of carbon, has become a vast field, the question about the importance of one-dimensional carbon became of renewed interest. The present article gives an overview of the work that has been carried out on chains of carbon atoms in the past one or two decades. The review concentrates on isolated chains of carbon atoms and summarizes the experimental observations to date. While the experimental information is still very limited, many calculations of the physical and chemical properties have been published in the past years. Some of the most important theoretical studies and their importance in the present experimental situation are reviewed. PMID:25821697

  4. Chains of carbon atoms: A vision or a new nanomaterial?

    PubMed Central

    2015-01-01

    Summary Linear strings of sp1-hybridized carbon atoms are considered as a possible phase of carbon since decades. Whereas the debate about the stability of the corresponding bulk phase carbyne continues until today, the existence of isolated chains of carbon atoms has meanwhile been corroborated experimentally. Since graphene, as the two-dimensional sp2-bonded allotrope of carbon, has become a vast field, the question about the importance of one-dimensional carbon became of renewed interest. The present article gives an overview of the work that has been carried out on chains of carbon atoms in the past one or two decades. The review concentrates on isolated chains of carbon atoms and summarizes the experimental observations to date. While the experimental information is still very limited, many calculations of the physical and chemical properties have been published in the past years. Some of the most important theoretical studies and their importance in the present experimental situation are reviewed. PMID:25821697

  5. Carbon black dispersion pre-plating technology for printed wire board manufacturing. Final technology evaluation report

    SciTech Connect

    Folsom, D.W.; Gavaskar, A.R.; Jones, J.A.; Olfenbuttel, R.F.

    1993-10-01

    The project compared chemical use, waste generation, cost, and product quality between electroless copper and carbon-black-based preplating technologies at the printed wire board (PWB) manufacturing facility of McCurdy Circuits in Orange, CA. The carbon-black based preplating technology evaluated is used as an alternative process for electroless copper (EC) plating of through-holes before electrolytic copper plating. The specific process used at McCurdy is the BlackHole (BH) technology process, which uses a dispersion of carbon black in an aqueous solution to provide a conductive surface for subsequent electrolytic copper plating. The carbon-black dispersion technology provided effective waste reduction and long-term cost savings. The economic analysis determined that the new process was cost efficient because chemical use was reduced and the process proved more efficient; the payback period was less than 4 yrs.

  6. Reaction studies of hot silicon, germanium and carbon atoms

    SciTech Connect

    Gaspar, P.P.

    1990-11-01

    The goal of this project was to increase the authors understanding of the interplay between the kinetic and electronic energy of free atoms and their chemical reactivity by answering the following questions: (1) what is the chemistry of high-energy carbon silicon and germanium atoms recoiling from nuclear transformations; (2) how do the reactions of recoiling carbon, silicon and germanium atoms take place - what are the operative reaction mechanisms; (3) how does the reactivity of free carbon, silicon and germanium atoms vary with energy and electronic state, and what are the differences in the chemistry of these three isoelectronic atoms This research program consisted of a coordinated set of experiments capable of achieving these goals by defining the structures, the kinetic and internal energy, and the charge states of the intermediates formed in the gas-phase reactions of recoiling silicon and germanium atoms with silane, germane, and unsaturated organic molecules, and of recoiling carbon atoms with aromatic molecules. The reactions of high energy silicon, germanium, and carbon atoms created by nuclear recoil were studied with substrates chosen so that their products illuminated the mechanism of the recoil reactions. Information about the energy and electronic state of the recoiling atoms at reaction was obtained from the variation in end product yields and the extent of decomposition and rearrangement of primary products (usually reactive intermediates) as a function of total pressure and the concentration of inert moderator molecules that remove kinetic energy from the recoiling atoms and can induce transitions between electronic spin states. 29 refs.

  7. Charge-signal multiplication mediated by urea wires inside Y-shaped carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Lv, Mei; He, Bing; Liu, Zengrong; Xiu, Peng; Tu, Yusong

    2014-07-01

    In previous studies, we reported molecular dynamics (MD) simulations showing that single-file water wires confined inside Y-shaped single-walled carbon nanotubes (Y-SWNTs) held strong and robust capability to convert and multiply charge signals [Y. S. Tu, P. Xiu, R. Z. Wan, J. Hu, R. H. Zhou, and H. P. Fang, Proc. Natl. Acad. Sci. U.S.A. 106, 18120 (2009); Y. Tu, H. Lu, Y. Zhang, T. Huynh, and R. Zhou, J. Chem. Phys. 138, 015104 (2013)]. It is fascinating to see whether the signal multiplication can be realized by other kinds of polar molecules with larger dipole moments (which make the experimental realization easier). In this article, we use MD simulations to study the urea-mediated signal conversion and multiplication with Y-SWNTs. We observe that when a Y-SWNT with an external charge of magnitude 1.0 e (the model of a signal at the single-electron level) is solvated in 1 M urea solutions, urea can induce drying of the Y-SWNT and fill its interiors in single-file, forming Y-shaped urea wires. The external charge can effectively control the dipole orientation of the urea wire inside the main channel (i.e., the signal can be readily converted), and this signal can further be multiplied into 2 (or more) output signals by modulating dipole orientations of urea wires in bifurcated branch channels of the Y-SWNT. This remarkable signal transduction capability arises from the strong dipole-induced ordering of urea wires under extreme confinement. We also discuss the advantage of urea as compared with water in the signal multiplication, as well as the robustness and biological implications of our findings. This study provides the possibility for multiplying signals by using urea molecules (or other polar organic molecules) with Y-shaped nanochannels and might also help understand the mechanism behind signal conduction in both physical and biological systems.

  8. Charge-signal multiplication mediated by urea wires inside Y-shaped carbon nanotubes

    SciTech Connect

    Lv, Mei; Liu, Zengrong; He, Bing; Xiu, Peng E-mail: ystu@shu.edu.cn; Tu, Yusong E-mail: ystu@shu.edu.cn

    2014-07-28

    In previous studies, we reported molecular dynamics (MD) simulations showing that single-file water wires confined inside Y-shaped single-walled carbon nanotubes (Y-SWNTs) held strong and robust capability to convert and multiply charge signals [Y. S. Tu, P. Xiu, R. Z. Wan, J. Hu, R. H. Zhou, and H. P. Fang, Proc. Natl. Acad. Sci. U.S.A. 106, 18120 (2009); Y. Tu, H. Lu, Y. Zhang, T. Huynh, and R. Zhou, J. Chem. Phys. 138, 015104 (2013)]. It is fascinating to see whether the signal multiplication can be realized by other kinds of polar molecules with larger dipole moments (which make the experimental realization easier). In this article, we use MD simulations to study the urea-mediated signal conversion and multiplication with Y-SWNTs. We observe that when a Y-SWNT with an external charge of magnitude 1.0 e (the model of a signal at the single-electron level) is solvated in 1 M urea solutions, urea can induce drying of the Y-SWNT and fill its interiors in single-file, forming Y-shaped urea wires. The external charge can effectively control the dipole orientation of the urea wire inside the main channel (i.e., the signal can be readily converted), and this signal can further be multiplied into 2 (or more) output signals by modulating dipole orientations of urea wires in bifurcated branch channels of the Y-SWNT. This remarkable signal transduction capability arises from the strong dipole-induced ordering of urea wires under extreme confinement. We also discuss the advantage of urea as compared with water in the signal multiplication, as well as the robustness and biological implications of our findings. This study provides the possibility for multiplying signals by using urea molecules (or other polar organic molecules) with Y-shaped nanochannels and might also help understand the mechanism behind signal conduction in both physical and biological systems.

  9. Nitrogenases-A Tale of Carbon Atom(s).

    PubMed

    Hu, Yilin; Ribbe, Markus W

    2016-07-11

    Named after its ability to catalyze the reduction of nitrogen to ammonia, nitrogenase has a surprising rapport with carbon-both through the interstitial carbide that resides in the central cavity of its cofactor and through its ability to catalyze the reductive carbon-carbon coupling of small carbon compounds into hydrocarbon products. Recently, a radical-SAM-dependent pathway was revealed for the insertion of carbide, which signifies a novel biosynthetic route to complex bridged metalloclusters. Moreover, a sulfur-displacement mechanism was proposed for the activation of carbon monoxide by nitrogenase, which suggests an essential role of the interstitial carbide in maintaining the stability while permitting a certain flexibility of the cofactor structure during substrate turnover. PMID:27206025

  10. ATOMIC CARBON IN THE UPPER ATMOSPHERE OF TITAN

    SciTech Connect

    Zhang, X.; Yung, Y. L.; Ajello, J. M.

    2010-01-01

    The atomic carbon emission C I line feature at 1657 A ({sup 3} P {sup 0} {sub J}-{sup 3} P{sub J} ) in the upper atmosphere of Titan is first identified from the airglow spectra obtained by the Cassini Ultra-violet Imaging Spectrograph. A one-dimensional photochemical model of Titan is used to study the photochemistry of atomic carbon on Titan. Reaction between CH and atomic hydrogen is the major source of atomic carbon, and reactions with hydrocarbons (C{sub 2}H{sub 2} and C{sub 2}H{sub 4}) are the most important loss processes. Resonance scattering of sunlight by atomic carbon is the dominant emission mechanism. The emission intensity calculations based on model results show good agreement with the observations.

  11. Arc spraying of nano-structured wire on carbon steel: examination of coating microstructures

    SciTech Connect

    Al Askandarani, A.; Hashmi, M. S. J.; Yilbas, B. S.

    2011-01-17

    Arc spraying of nano-structured wire (TAFA 95MX) onto carbon steel is carried out. The workpieces coated were heat treated at temperature similar to the operating temperature of the hot-path components of power gas turbines. The morphological and microstructural changes in the coating are examined using optical and Scanning Electron Microscope (SEM). The surface roughness and microhardness of the resulting coatings are measured. It is found that the formation of dimples like structure at surface increased the surface roughness of the coating. The microhardness of the resulting coating is significantly higher than the base material hardness. Heat treatment does not alter the microstructure and microhardness of the coating.

  12. Single Particle Transport Through Carbon Nanotube Wires: Effect of Defects and Polyhedral Cap

    NASA Technical Reports Server (NTRS)

    Anantram, M. P.; Govidan, T. R.

    1999-01-01

    The ability to manipulate carbon nanotubes with increasing precision has enabled a large number of successful electron transport experiments. These studies have primarily focussed on characterizing transport through both metallic and semiconducting wires. Tans et al. demonstrated ballistic transport in single-wall nanotubes for the first time, although the experimental configuration incurred large contact resistance. Subsequently, methods of producing low contact resistances have been developed and two terminal conductances smaller than 50 k-ohms have been repeatably demonstrated in single-wall and multi-wall nanotubes. In multi-wall nanotubes, Frank et al. demonstrated a resistance of approximately h/2e(exp 2) in a configuration where the outermost layer made contact to a liquid metal. This was followed by the work of de Pablo et al. where a resistance of h(bar)/27e(exp 2) (approximately 478 ohms) was measured in a configuration where electrical contact was made to many layers of a multi-wall nanotube. Frank et al. and Pablo et al. note that each conducting layer contributes a conductance of only 2e(exp 2)/h, instead of the 4e(exp 2)/h that a single particle mode counting picture yields. These small resistances have been obtained in microns long nanotubes, making them the best conducting molecular wires to date. The large conductance of nanotube wires stems from the fact that the crossing bands of nanotubes are robust to defect scattering.

  13. Fabrication and static characterization of carbon-fiber-reinforced polymers with embedded NiTi shape memory wire actuators

    NASA Astrophysics Data System (ADS)

    de Araújo, C. J.; Rodrigues, L. F. A.; Coutinho Neto, J. F.; Reis, R. P. B.

    2008-12-01

    In this work, unidirectional carbon-fiber-reinforced polymers (CFRP) with embedded NiTi shape memory alloy (SMA) wire actuators were manufactured using a universal testing machine equipped with a thermally controlled chamber. Beam specimens containing cold-worked, annealed and trained NiTi SMA wires distributed along their neutral plane were fabricated. Several tests in a three-point bending mode at different constant temperatures were performed. To verify thermal buckling effects, electrical activation of the specimens was realized in a cantilevered beam mode and the influence of the SMA wire actuators on the tip deflection of the composite is demonstrated.

  14. Mid-Atomic-Number Cylindrical Wire Array Precursor Plasma Studies on Zebra

    DOE PAGESBeta

    Stafford, A; Safronova, A. S.; Kantsyrev, V. L.; Coverdale, Christine Anne; Weller, M. E.; Shrestha, I.; Shlyaptseva, V. V.; Chuvatin, A. S.

    2014-12-30

    The precursor plasmas from low wire number cylindrical wire arrays (CWAs) were previously shown to radiate at temperatures >300 eV for Ni-60 (94% Cu and 6% Ni) wires in experiments on the 1-MA Zebra generator. Continued research into precursor plasmas has studied additional midatomic-number materials including Cu and Alumel (95% Ni, 2% Al, 2% Mn, and 1% Si) to determine if the >300 eV temperatures are common for midatomic-number materials. Additionally, current scaling effects were observed by performing CWA precursor experiments at an increased current of 1.5 MA using a load current multiplier. Our results show an increase in amore » linear radiation yield of ~50% (16 versus 10 kJ/cm) for the experiments at increased current. However, plasma conditions inferred through the modeling of X-ray time-gated spectra are very similar for the precursor plasma in both current conditions.« less

  15. Mid-Atomic-Number Cylindrical Wire Array Precursor Plasma Studies on Zebra

    SciTech Connect

    Stafford, A; Safronova, A. S.; Kantsyrev, V. L.; Coverdale, Christine Anne; Weller, M. E.; Shrestha, I.; Shlyaptseva, V. V.; Chuvatin, A. S.

    2014-12-30

    The precursor plasmas from low wire number cylindrical wire arrays (CWAs) were previously shown to radiate at temperatures >300 eV for Ni-60 (94% Cu and 6% Ni) wires in experiments on the 1-MA Zebra generator. Continued research into precursor plasmas has studied additional midatomic-number materials including Cu and Alumel (95% Ni, 2% Al, 2% Mn, and 1% Si) to determine if the >300 eV temperatures are common for midatomic-number materials. Additionally, current scaling effects were observed by performing CWA precursor experiments at an increased current of 1.5 MA using a load current multiplier. Our results show an increase in a linear radiation yield of ~50% (16 versus 10 kJ/cm) for the experiments at increased current. However, plasma conditions inferred through the modeling of X-ray time-gated spectra are very similar for the precursor plasma in both current conditions.

  16. Angular distribution of photoelectrons from atomic oxygen, nitrogen, and carbon

    NASA Technical Reports Server (NTRS)

    Manson, S. T.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distribution of photoelectrons from atomic oxygen is investigated using Hartree-Fock (HF) wave functions. The correct formulation is used to compare HS and HF results. Agreement between these results is good and the HS calculations have been extended to atomic nitrogen and carbon as well.

  17. Conductive graphene fibers for wire-shaped supercapacitors strengthened by unfunctionalized few-walled carbon nanotubes.

    PubMed

    Ma, Yanwen; Li, Pan; Sedloff, Jennifer W; Zhang, Xiao; Zhang, Hongbo; Liu, Jie

    2015-02-24

    Graphene fibers are a promising electrode material for wire-shaped supercapacitors (WSSs) that can be woven into textiles for future wearable electronics. However, the main concern is their high linear resistance, which could be effectively decreased by the addition of highly conductive carbon nanotubes (CNTs). During the incorporation process, CNTs are typically preoxidized by acids or dispersed by surfactants, which deteriorates their electrical and mechanical properties. Herein, unfunctionalized few-walled carbon nanotubes (FWNTs) were directly dispersed in graphene oxide (GO) without preoxidation or surfactants, allowing them to maintain their high conductivity and perfect structure, and then used to prepare CNT-reduced GO (RGO) composite fibers by wet-spinning followed by reduction. The pristine FWNTs increased the stress strength of the parent RGO fibers from 193.3 to 385.7 MPa and conductivity from 53.3 to 210.7 S cm(-1). The wire-shaped supercapacitors (WSSs) assembled based on these CNT-RGO fibers presented a high volumetric capacitance of 38.8 F cm(-3) and energy density of 3.4 mWh cm(-3). More importantly, the performance of WSSs was revealed to decrease with increasing length due to increased resistance, revealing a key issue for graphene-based electrodes in WSSs. PMID:25625807

  18. Automated manipulation of carbon nanotubes using atomic force microscopy.

    PubMed

    Zhang, Chao; Wu, Sen; Fu, Xing

    2013-01-01

    The manipulation of carbon nanotubes is an important and essential step for carbon-based nanodevice or nanocircuit assembly. However, the conventional push-and-image approach of manipulating carbon nanotubes using atomic force microscopy has low efficiency on account of the reduplicated scanning process during manipulation. In this article, an automated manipulation system is designed and tested. This automated manipulation system, which includes an atomic force microscope platform and a self-developed computer program for one-dimensional manipulation, is capable of automatically moving any assigned individual carbon nanotube to a defined target location without any intermediate scanning procedure. To demonstrate the high-efficiency of this automated manipulation system and its potential applications in nanoassembly, two experiments were conducted. The first experiment used this system to manipulate a carbon nanotube to a defined target location. In the second experiment, this system was used to automatically manipulate several carbon nanotubes for generating and translating a defined pattern of nanotubes. PMID:23646781

  19. Determination of heavy metals in bee honey with connected and not connected metal wires using inductively coupled plasma atomic emission spectrometry (ICP-AES).

    PubMed

    Özcan, Mehmet Musa; Al Juhaimi, Fahad Y

    2012-04-01

    Two honey samples are taken from two parts of the same honeycomb: one that contacts to the surface of the wire and the other taken from the surface that does not contact the wires. Heavy metal contents of these two samples were determined by inductively coupled plasma atomic emission spectrometry). The Mo, Cd, Cr, Fe, Mn, Ni and Zn contents of the honey in contact with wire is higher when compared to the other. Especially, Fe and Zn contents of honey in contact with wire is much higher than the non-contact one. These values are, respectively, 190.21 and 112.76 ppm. Besides, Ni content of honey in contact with wire is approximately 50% higher. PMID:21573852

  20. Atomic scale investigation of redistribution of alloying elements in pearlitic steel wires upon cold-drawing and annealing.

    PubMed

    Li, Y J; Choi, P; Goto, S; Borchers, C; Raabe, D; Kirchheim, R

    2013-09-01

    A local electrode atom probe has been employed to analyze the redistribution of alloying elements including Si, Mn, and Cr in pearlitic steel wires upon cold-drawing and subsequent annealing. It has been found that the three elements undergo mechanical mixing upon cold-drawing at large strains, where Mn and Cr exhibit a nearly homogeneous distribution throughout both ferrite and cementite, whereas Si only dissolves slightly in cementite. Annealing at elevated temperatures leads to a reversion of the mechanical alloying. Si atoms mainly segregate at well-defined ferrite (sub)grain boundaries formed during annealing. Cr and Mn are strongly concentrated in cementite adjacent to the ferrite/cementite interface due to their lower diffusivities in cementite than in ferrite. PMID:23237772

  1. Enhanced Electrical Conductivity in Extruded Single-Wall Carbon Nanotube Wires from Modified Coagulation Parameters and Mechanical Processing.

    PubMed

    Bucossi, Andrew R; Cress, Cory D; Schauerman, Christopher M; Rossi, Jamie E; Puchades, Ivan; Landi, Brian J

    2015-12-16

    Single-wall carbon nanotubes (SWCNTs) synthesized via laser vaporization have been dispersed using chlorosulfonic acid (CSA) and extruded under varying coagulation conditions to fabricate multifunctional wires. The use of high purity SWCNT material based upon established purification methods yields wires with highly aligned nanoscale morphology and an over 4× improvement in electrical conductivity over as-produced SWCNT material. A series of eight liquids have been evaluated for use as a coagulant bath, and each coagulant yielded unique wire morphology based on its interaction with the SWCNT-CSA dispersion. In particular, dimethylacetamide as a coagulant bath is shown to fabricate highly uniform SWCNT wires, and acetone coagulant baths result in the highest specific conductivity and tensile strength. A 2× improvement in specific conductivity has been measured for SWCNT wires following tensioning induced both during extrusion via increased coagulant bath depth and during solvent evaporation via mechanical strain, over that of as-extruded wires from shallower coagulant baths. Overall, combination of the optimized coagulation parameters has yielded acid-doped wires with the highest reported room temperature electrical conductivities to date of 4.1-5.0 MS/m and tensile strengths of 210-250 MPa. Such improvements in bulk electrical conductivity can impact the adoption of metal-free, multifunctional SWCNT materials for advanced cabling architectures. PMID:26632650

  2. Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

    PubMed Central

    Khalilov, Umedjon; Bogaerts, Annemie; Neyts, Erik C.

    2015-01-01

    Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level. PMID:26691537

  3. Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors.

    PubMed

    Khalilov, Umedjon; Bogaerts, Annemie; Neyts, Erik C

    2015-01-01

    Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level. PMID:26691537

  4. Atomic scale simulation of carbon nanotube nucleation from hydrocarbon precursors

    NASA Astrophysics Data System (ADS)

    Khalilov, Umedjon; Bogaerts, Annemie; Neyts, Erik C.

    2015-12-01

    Atomic scale simulations of the nucleation and growth of carbon nanotubes is essential for understanding their growth mechanism. In spite of over twenty years of simulation efforts in this area, limited progress has so far been made on addressing the role of the hydrocarbon growth precursor. Here we report on atomic scale simulations of cap nucleation of single-walled carbon nanotubes from hydrocarbon precursors. The presented mechanism emphasizes the important role of hydrogen in the nucleation process, and is discussed in relation to previously presented mechanisms. In particular, the role of hydrogen in the appearance of unstable carbon structures during in situ experimental observations as well as the initial stage of multi-walled carbon nanotube growth is discussed. The results are in good agreement with available experimental and quantum-mechanical results, and provide a basic understanding of the incubation and nucleation stages of hydrocarbon-based CNT growth at the atomic level.

  5. 76 FR 34044 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Extension of Time Limits for the Preliminary...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-10

    ... Countervailing Duty Administrative Reviews, 75 FR 73036 (November 29, 2010) (``Initiation Notice''). The..., 70 FR 24533 (May 10, 2005). The final results continue to be due 120 days after the publication of... International Trade Administration Carbon and Certain Alloy Steel Wire Rod From Mexico: Extension of Time...

  6. 77 FR 66954 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Preliminary Results of Antidumping Duty...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-11-08

    ... Rod from Mexico: Affirmative Final Determination of Circumvention of the Antidumping Duty Order, 77 FR... of Sales at Less Than Fair Value: Carbon and Certain Alloy Steel Wire Rod From Mexico, 67 FR 55800..., Trinidad and Tobago, and Ukraine, 67 FR 65945 (October 29, 2002), remains dispositive. On October 1,...

  7. 77 FR 13545 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Notice of Final Results of Antidumping Duty...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-07

    ... Antidumping Duty Administrative Review 76 FR 67407 (November 1, 2011) (Preliminary Results). \\2\\ We determined... Changed Circumstances Review: Carbon and Certain Alloy Steel Wire Rod from Mexico, 76 FR 45509 (July 29... Countervailing Duty Proceedings: Assessment of Antidumping Duties, 68 FR 23954 (May 6, 2003) (Assessment...

  8. 76 FR 16607 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Notice of Partial Rescission of Antidumping...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-24

    ... From the Federal Register Online via the Government Publishing Office DEPARTMENT OF COMMERCE International Trade Administration Carbon and Certain Alloy Steel Wire Rod From Mexico: Notice of Partial Rescission of Antidumping Duty Administrative Review AGENCY: Import Administration, International Trade Administration, Department of Commerce....

  9. 78 FR 76653 - Carbon and Certain Alloy Steel Wire Rod From Brazil, Indonesia, Mexico, Moldova, Trinidad and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-18

    ... reviews were such that full reviews pursuant to section 751(c)(5) of the Act should proceed (78 FR 60316... Certain Alloy Steel Wire Rod From Brazil, Indonesia, Mexico, Moldova, Trinidad and Tobago, and Ukraine Scheduling of full five-year reviews concerning the countervailing duty order on carbon and certain...

  10. Notch toughness in hot-rolled low carbon steel wire rod

    SciTech Connect

    Baarman, M.H.

    1999-12-01

    Charpy V-notch toughness has been investigated in four hot-rolled, low carbon steels with different grain sizes and carbon contents between 0.019 and 0.057%. The raw material was wire rod designed for drawing and possible subsequent cold heading operations and manufactured from continuous cast billets. In this study, the influence of microstructure, mechanical properties, and alloying elements on the ductile-brittle transition behavior has been assessed. A particular emphasis has been given to the influence of boron with contents up to 0.0097%. As a result, transition temperatures between {minus}29 and +50 C explicated by the material properties have been obtained. The examination also shows that the transition temperature raises with circa 0.5 C for each added ppm boron most likely as a consequence of an enlargement of the ferrite grain size and the reduction of yield and tensile strength. The highest upper shelf energy and lowest transition temperature can be observed in a steel without boron additions and with maximum contents of carbon, silicon, and manganese.

  11. X-ray emission from a high-atomic-number z-pinch plasma created from compact wire arrays

    SciTech Connect

    Sanford, T.W.L.; Nash, T.J.; Marder, B.M.

    1996-03-01

    Thermal and nonthermal x-ray emission from the implosion of compact tungsten wire arrays, driven by 5 MA from the Saturn accelerator, are measured and compared with LLNL Radiation-Hydro-Code (RHC) and SNL Hydro-Code (HC) numerical models. Multiple implosions, due to sequential compressions and expansions of the plasma, are inferred from the measured multiple x-radiation bursts. Timing of the multiple implosions and the thermal x-ray spectra measured between 1 and 10 keV are consistent with the RHC simulations. The magnitude of the nonthermal x-ray emission measured from 10 to 100 keV ranges from 0.02 to 0.08% of the total energy radiated and is correlated with bright-spot emission along the z-axis, as observed in earlier Gamble-11 single exploding-wire experiments. The similarities of the measured nonthermal spectrum and bright-spot emission with those measured at 0.8 MA on Gamble-II suggest a common production mechanism for this process. A model of electron acceleration across magnetic fields in highly-collisional, high-atomic-number plasmas is developed, which shows the existence of a critical electric field, E{sub c}, below which strong nonthermal electron creation (and the associated nonthermal x rays) do not occur. HC simulations show that significant nonthermal electrons are not expected in this experiment (as observed) because the calculated electric fields are at least one to two orders-of-magnitude below E{sub c}. These negative nonthermal results are confirmed by RHC simulations using a nonthermal model based on a Fokker-Plank analysis. Lastly, the lower production efficiency and the larger, more irregular pinch spots formed in this experiment relative to those measured on Gamble II suggest that implosion geometries are not as efficient as single exploding-wire geometries for warm x-ray production.

  12. Reactions of carbon atoms in pulsed molecular beams

    SciTech Connect

    Reisler, H.

    1993-12-01

    This research program consists of a broad scope of experiments designed to unravel the chemistry of atomic carbon in its two spin states, P and D, by using well-controlled initial conditions and state-resolved detection of products. Prerequisite to the proposed studies (and the reason why so little is known about carbon atom reactions), is the development of clean sources of carbon atoms. Therefore, in parallel with the studies of its chemistry and reaction dynamics, the authors continuously explore new, state-specific and efficient ways of producing atomic carbon. In the current program, C({sup 3}P) is produced via laser ablation of graphite, and three areas of study are being pursued: (i) exothermic reactions with small inorganic molecules (e.g., O{sub 2}, N{sub 2}O, NO{sub 2}) that can proceed via multiple pathways; (ii) the influence of vibrational and translational energy on endothermic reactions involving H-containing reactants that yield CH products (e.g., H{sub 2}O H{sub 2}CO); (iii) reactions of C({sup 3}P) with free radicals (e.g., HCO, CH{sub 3}O). In addition, the authors plan to develop a source of C({sup 1}D) atoms by exploiting the pyrolysis of diazotetrazole and its salts in the ablation source. Another important goal involves collaboration with theoreticians in order to obtain relevant potential energy surfaces, rationalize the experimental results and predict the roles of translational and vibrational energies.

  13. Trapping cold atoms using surface-grown carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Petrov, P. G.; Machluf, S.; Younis, S.; Macaluso, R.; David, T.; Hadad, B.; Japha, Y.; Keil, M.; Joselevich, E.; Folman, R.

    2009-04-01

    We present a feasibility study for loading cold atomic clouds into magnetic traps created by single-wall carbon nanotubes grown directly onto dielectric surfaces. We show that atoms may be captured for experimentally sustainable nanotube currents, generating trapped clouds whose densities and lifetimes are sufficient to enable detection by simple imaging methods. This opens the way for a different type of conductor to be used in atomchips, enabling atom trapping at submicron distances, with implications for both fundamental studies and for technological applications.

  14. Neutral atomic carbon in dense molecular clouds

    NASA Technical Reports Server (NTRS)

    Zmuidzinas, J.; Betz, A. L.; Boreiko, R. T.; Goldhaber, D. M.

    1988-01-01

    The 370 micron 3P2-3P1 fine-structure line of neutral carbon was detected in seven sources: OMC 1, NGC 2024, S140, W3, DR 21, M17, and W51. Simultaneous analysis of J = 2-1 data and available observations of the J = 1-0 line make it possible to deduce optical depths and excitation temperatures for these lines. These data indicate that both C I lines are likely to be optically thin, and that the ratio of C I to CO column densities in these clouds is typically about 0.1.

  15. The atomic carbon distribution in the coma of Comet Halley

    NASA Technical Reports Server (NTRS)

    Woods, T. N.; Feldman, P. D.; Dymond, K. F.

    1986-01-01

    The radial distribution of CO, OI, Ci, and CII emissions in the coma of comet Halley were measured by a long-slit far ultraviolet spectrograph aboard a sounding rocket on 26 Feb. and 13 Mar. 1986. While the CO profiles strongly suggest that CO is vaporized directly from the nucleus, the observed carbon distribution is not consistent with a radial outflow model of CO, suggesting an additional source of atomic carbon in the inner coma. Based on the in situ plasma measurements from the Vega and Giotto spacecraft, it is possible that this additional source of carbon could be the recombination of ionized CO in the inner coma.

  16. Unusual Conductance in Cumulene Molecular Wires

    NASA Astrophysics Data System (ADS)

    Prasongkit, Jariyanee; Grigoriev, Anton; Wendin, Göran; Ahuja, Rajeev

    2009-03-01

    We report current-voltage curves and conductance of cumulene molecular wire suspended between Au(111) surfaces via thiolate bonds with full self-consistent ab initio calculation under external bias. The conductance of cumulene wires shows oscillatory behavior depending on the number of carbon atoms. Among all conjugated oligomers, we find that odd-number cumulene wires yield the highest conductance and present ballistic-like transport behavior. The reason has been traced to two factors: high density of state at the Fermi level, and the alignment of molecular orbital closed to Fermi level. Since the conductance depends weakly on applied bias, and the current voltage characteristic is linear under bias region -0.9 to 0.9 V, odd-number cumulene wire is a possible candidate as a near- perfect, ballistic one-dimensional molecular wire.

  17. Dielectric barrier discharge carbon atomic emission spectrometer: universal GC detector for volatile carbon-containing compounds.

    PubMed

    Han, Bingjun; Jiang, Xiaoming; Hou, Xiandeng; Zheng, Chengbin

    2014-01-01

    It was found that carbon atomic emission can be excited in low temperature dielectric barrier discharge (DBD), and an atmospheric pressure, low power consumption, and compact microplasma carbon atomic emission spectrometer (AES) was constructed and used as a universal and sensitive gas chromatographic (GC) detector for detection of volatile carbon-containing compounds. A concentric DBD device was housed in a heating box to increase the plasma operation temperature to 300 °C to intensify carbon atomic emission at 193.0 nm. Carbon-containing compounds directly injected or eluted from GC can be decomposed, atomized, and excited in this heated DBD for carbon atomic emission. The performance of this new optical detector was first evaluated by determination of a series of volatile carbon-containing compounds including formaldehyde, ethyl acetate, methanol, ethanol, 1-propanol, 1-butanol, and 1-pentanol, and absolute limits of detection (LODs) were found at a range of 0.12-0.28 ng under the optimized conditions. Preliminary experimental results showed that it provided slightly higher LODs than those obtained by GC with a flame ionization detector (FID). Furthermore, it is a new universal GC detector for volatile carbon-containing compounds that even includes those compounds which are difficult to detect by FID, such as HCHO, CO, and CO2. Meanwhile, hydrogen gas used in conventional techniques was eliminated; and molecular optical emission detection can also be performed with this GC detector for multichannel analysis to improve resolution of overlapped chromatographic peaks of complex mixtures. PMID:24328147

  18. Abundance of atomic carbon /C I/ in dense interstellar clouds

    NASA Technical Reports Server (NTRS)

    Phillips, T. G.; Huggins, P. J.

    1981-01-01

    The abundance of interstellar neutral atomic carbon is investigated by means of its ground state fine-structure line emission at 492 GHz using the 91.5 cm telescope of NASAs Kuiper Airborne Observatory. Atomic carbon is found to be very abundant in dense interstellar molecular clouds with column densities of about 10 to the 19th per sq cm. Because the observations have considerably greater column densities than current theories of carbon chemistry, it is suggested that the physical conditions of these clouds are not as simple as assumed in the models. Various situations are discussed which would lead to large C I abundances, including the possibility that the chemical lifetimes of the clouds are relatively short.

  19. Chemical control of electrical contact to sp2 carbon atoms

    PubMed Central

    Frederiksen, Thomas; Foti, Giuseppe; Scheurer, Fabrice; Speisser, Virginie; Schull, Guillaume

    2014-01-01

    Carbon-based nanostructures are attracting tremendous interest as components in ultrafast electronics and optoelectronics. The electrical interfaces to these structures play a crucial role for the electron transport, but the lack of control at the atomic scale can hamper device functionality and integration into operating circuitry. Here we study a prototype carbon-based molecular junction consisting of a single C60 molecule and probe how the electric current through the junction depends on the chemical nature of the foremost electrode atom in contact with the molecule. We find that the efficiency of charge injection to a C60 molecule varies substantially for the considered metallic species, and demonstrate that the relative strength of the metal-C bond can be extracted from our transport measurements. Our study further suggests that a single-C60 junction is a basic model to explore the properties of electrical contacts to meso- and macroscopic sp2 carbon structures. PMID:24736561

  20. Study on Exploding Wire Compression for Evaluating Electrical Conductivity in Warm-Dense Diamond-Like-Carbon

    NASA Astrophysics Data System (ADS)

    Sasaki, Toru; Takahashi, Kazumasa; Kudo, Takahiro; Kikuchi, Takashi; Aso, Tsukasa; Harada, Nob.; Fujioka, Shinsuke; Horioka, Kazuhiko

    2016-03-01

    To improve a coupling efficiency for the fast ignition scheme of the inertial confinement fusion, fast electron behaviors as a function of an electrical conductivity are required. To evaluate the electrical conductivity for low-Z materials as a diamond-like-carbon (DLC), we have proposed a concept to investigate the properties of warm dense matter (WDM) by using pulsed-power discharges. The concept of the evaluation of DLC for WDM is a shock compression driven by an exploding wire discharge with confined by a rigid capillary. The qualitatively evaluation of the electrical conductivity for the WDM DLC requires a small electrical conductivity of the exploding wire. To analyze the electrical conductivity of exploding wire, we have demonstrated an exploding wire discharge in water for gold. The results indicated that the electrical conductivity of WDM gold for 5000 K of temperature has an insulator regime. It means that the shock compression driven by the exploding wire discharge with confined by the rigid capillary is applied for the evaluation of electrical conductivity for WDM DLC.

  1. Integrated atom detector based on field ionization near carbon nanotubes

    SciTech Connect

    Gruener, B.; Jag, M.; Stibor, A.; Visanescu, G.; Haeffner, M.; Kern, D.; Guenther, A.; Fortagh, J.

    2009-12-15

    We demonstrate an atom detector based on field ionization and subsequent ion counting. We make use of field enhancement near tips of carbon nanotubes to reach extreme electrostatic field values of up to 9x10{sup 9} V/m, which ionize ground-state rubidium atoms. The detector is based on a carpet of multiwall carbon nanotubes grown on a substrate and used for field ionization, and a channel electron multiplier used for ion counting. We measure the field enhancement at the tips of carbon nanotubes by field emission of electrons. We demonstrate the operation of the field ionization detector by counting atoms from a thermal beam of a rubidium dispenser source. By measuring the ionization rate of rubidium as a function of the applied detector voltage we identify the field ionization distance, which is below a few tens of nanometers in front of nanotube tips. We deduce from the experimental data that field ionization of rubidium near nanotube tips takes place on a time scale faster than 10{sup -10} s. This property is particularly interesting for the development of fast atom detectors suitable for measuring correlations in ultracold quantum gases. We also describe an application of the detector as partial pressure gauge.

  2. Electroanalytical performance of carbon films with near-atomic flatness.

    PubMed

    Ranganathan, S; McCreery, R L

    2001-03-01

    Physicochemical and electrochemical characterization of carbon films obtained by pyrolyzing a commercially available photoresist has been performed. Photoresist spin-coated on to a silicon wafer was pyrolyzed at 1,000 degrees C in a reducing atmosphere (95% nitrogen and 5% hydrogen) to produce conducting carbon films. The pyrolyzed photoresist films (PPF) show unusual surface properties compared to other carbon electrodes. The surfaces are nearly atomically smooth with a root-mean-square roughness of <0.5 nm. PPF have a very low background current and oxygen/carbon atomic ratio compared to conventional glassy carbon and show relatively weak adsorption of methylene blue and anthraquinone-2,6-disulfonate. The low oxygen/carbon ratio and the relative stability of PPF indicate that surfaces may be partially hydrogen terminated. The pyrolyzed films were compared to glassy carbon (GC) heat treated under the same conditions as pyrolysis to evaluate the electroanalytical utility of PPF. Heterogeneous electron-transfer kinetics of various redox systems were evaluated. For Ru(NH3)6(3+/2+), Fe(CN)6(3-/4-), and chlorpromazine, fresh PPF surfaces show electron-transfer rates similar to those on GC, but for redox systems such as Fe3+/2+, ascorbic acid, dopamine, and oxygen, the kinetics on PPF are slower. Very weak interactions between the PPF surface and these redox systems lead to their slow electron-transfer kinetics. Electrochemical anodization results in a simultaneous increase in background current, adsorption, and electron-transfer kinetics. The PPF surfaces can be chemically modified via diazonium ion reduction to yield a covalently attached monolayer. Such a modification could help in the preparation of low-cost, high-volume analyte-specific electrodes for diverse electroanalytical applications. Overall, pyrolysis of the photoresist yields an electrode surface with properties similar to a very smooth version of glassy carbon, with some important differences in surface

  3. Highly flexible, mechanically robust superconducting wire consisting of NbN-carbon-nanotube nanofibril composites

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Gyun; Kang, Haeyong; Kim, Joonggyu; Lee, Young Hee; Suh, Dongseok

    A flexible superconducting fiber is prepared by twisting carbon nanotube (CNT) sheets coated with sputter-deposited niobium nitride (NbN) layer to form the shape of yarn. Twisted CNT yarn, which has been extensively studied due to its high flexibility as well as excellent mechanical properties, and NbN, which is a superconducting material with high transition temperature (Tc) and critical magnetic field (Hc), are combined together by the deposition of NbN layer on free-standing CNT-sheet substrate followed by the biscrolling process. We tried many experimental conditions to investigate the superconducting properties of NbN-CNT yarn as a function of NbN thickness and number of CNT-sheet layers, and found out that the superconducting property of NbN on CNT-sheet can be comparable to that of NbN thin film on the normal solid substrate. In addition, the superconducting property survived even under the condition of severe mechanical deformation such as knotting. These results show the potential application of this technology as a large-scale fabrication method of flexible, mechanically robust, high performance superconducting wire. This work is supported by the Institute for Basic Science (IBS-R011-D1), and by the National Research Foundation (BSR-2013R1A1A1076063) funded by the Ministry of Science, ICT & Future Planning, Republic of Korea.

  4. Effect of microalloying on pearlite transformation of high carbon wire steels

    NASA Astrophysics Data System (ADS)

    Miller, Stephanie L.

    Microalloying has been shown to improve strength in eutectoid steels for wire applications, and previous work on vanadium-microalloyed eutectoid steels showed delayed pearlite transformation with additions of niobium and accelerated pearlite transformation with additional nitrogen. This study investigates the origin of the CCT shifts with microalloying additions and whether trends in hardness and microstructural feature sizes observed in continuous cooling tests persist through industrial hot rolling simulations. An industrially hot rolled 1080 wire rod with vanadium additions and three laboratory-prepared alloys were studied. The base alloy, denoted the V steel, had a composition of 0.80C-0.50Mn-0.24Si-0.20Cr-0.079V-0.0059N (wt pct). The V+N steel contained 0.0088 wt pct N, and the V+Nb steel contained an additional 0.010 wt pct Nb. All alloys were subjected to a GleebleRTM 3500 torsion hot rolling simulation based on industrial wire rod hot rolling parameters. Microstructural constituents, Vickers hardness, pearlite colony size, and pearlite interlamellar spacing (ILS) were characterized for each alloy. All alloys exhibited pearlitic microstructures with some proeutectoid ferrite at prior austenite grain boundaries, with no evidence of shear transformation products. The V steel has the lowest overall hardness, while both nitrogen and niobium additions increase hardness by approximately 15 HV, correlating to a 43 MPa increase in yield strength. Niobium additions refined ILS, with an average ILS of 92 +/- 3 nm for the V+Nb steel compared to 113 +/- 5 nm for the V steel and 113 +/- 3 nm for the V+N alloy. Vanadium additions produced precipitation strengthening for all alloys and heat treatments, and additional precipitation strengthening with nitrogen and niobium additions was not apparent based on a Taleff regression analysis. Atom probe tomography of an industrially processed wire rod with vanadium additions revealed vanadium enrichment of cementite, and vanadium

  5. Encapsulating "armchair" carbon nanotubes with "zigzag" chains of Fe atoms

    NASA Astrophysics Data System (ADS)

    Boutko, V. G.; Gusev, A. A.; Shevtsova, T. N.; Pashkevich, Yu. G.

    2016-05-01

    Ab initio calculations of structural, electron, and magnetic properties of "armchair" carbon nanotubes (NT) encapsulated by a "zigzag" chain of Fe atoms Fe2@(n,n)m (m = 1, 2; n = 4, 5, 6, 7, 8, 9), are performed within the framework of the density functional theory. It is shown that optimizing the structure along the NT axis can significantly impact the binding energy of the NT and the Fe atom chain. It follows from the calculations that Fe2@(5,5) is the most stable of all the investigated encapsulated nanotubes. A two-fold decrease in the concentration of Fe in an encapsulated NT converts the system from exothermic to endothermic (Fe2@(5,5)m) and vice versa (Fe2@(6,6)m)). For large radii of an encapsulated NT (>4.13 Å) the binding energy of the NT and the Fe atom chain goes to zero, and the magnetic moments of the Fe atoms and the deviation of the Fe atoms from the NT axis go toward analogous values of the free "zigzag" Fe atom chain.

  6. Carbon nanotube forests growth using catalysts from atomic layer deposition

    SciTech Connect

    Chen, Bingan; Zhang, Can; Esconjauregui, Santiago; Xie, Rongsi; Zhong, Guofang; Robertson, John; Bhardwaj, Sunil; Cepek, Cinzia

    2014-04-14

    We have grown carbon nanotubes using Fe and Ni catalyst films deposited by atomic layer deposition. Both metals lead to catalytically active nanoparticles for growing vertically aligned nanotube forests or carbon fibres, depending on the growth conditions and whether the substrate is alumina or silica. The resulting nanotubes have narrow diameter and wall number distributions that are as narrow as those grown from sputtered catalysts. The state of the catalyst is studied by in-situ and ex-situ X-ray photoemission spectroscopy. We demonstrate multi-directional nanotube growth on a porous alumina foam coated with Fe prepared by atomic layer deposition. This deposition technique can be useful for nanotube applications in microelectronics, filter technology, and energy storage.

  7. Interpretation of Hund's multiplicity rule for the carbon atom.

    PubMed

    Hongo, Kenta; Maezono, Ryo; Kawazoe, Yoshiyuki; Yasuhara, Hiroshi; Towler, M D; Needs, R J

    2004-10-15

    Hund's multiplicity rule is investigated for the carbon atom using quantum Monte Carlo methods. Our calculations give an accurate account of electronic correlation and obey the virial theorem to high accuracy. This allows us to obtain accurate values for each of the energy terms and therefore to give a convincing explanation of the mechanism by which Hund's rule operates in carbon. We find that the energy gain in the triplet with respect to the singlet state is due to the greater electron-nucleus attraction in the higher spin state, in accordance with Hartree-Fock calculations and studies including correlation. The method used here can easily be extended to heavier atoms. PMID:15473780

  8. Probing the improbable: imaging carbon atoms in alumina

    SciTech Connect

    Marquis, E A; Yahia, Noor; Larson, David J.; Miller, Michael K; Todd, Richard

    2010-01-01

    Atom-probe tomography has proven very powerful to analyze the detailed structure and chemistry of metallic alloys and semiconductor structures while ceramic materials have remained outside its standard purview. In the current work, we demonstrate that bulk alumina can be quantitatively analyzed and microstructural features observed. The analysis of grain boundary carbon segregation - barely achievable by electron microscopy - opens the possibility of understanding the mechanistic effects of dopants on mechanical properties, fracture and wear properties of bulk oxides.

  9. Study on reinforced concrete beams strengthened using shape memory alloy wires in combination with carbon-fiber-reinforced polymer plates

    NASA Astrophysics Data System (ADS)

    Li, Hui; Liu, Zhi-qiang; Ou, Jin-ping

    2007-12-01

    It has been proven that carbon-fiber-reinforced polymer (CFRP) sheets or plates are capable of improving the strength of reinforced concrete (RC) structures. However, residual deformation of RC structures in service reduces the effect of CFRP strengthening. SMA can be applied to potentially decrease residual deformation and even close concrete cracks because of its recovery forces imposed on the concrete when heated. Therefore, a method of a RC structure strengthened by CFRP plates in combination with SMA wires is proposed in this paper. The strengthening effect of this method is investigated through experiments and numerical study based on the nonlinear finite element software ABAQUS in simple RC beams. Parametric analysis and assessment of damage by defining a damage index are carried out. The results indicate that recovery forces of SMA wires can decrease deflections and even close cracks in the concrete. The recovery rate of deflection of the beam increases with increasing the ratio of SMA wires. The specimen strengthened with CFRP plates has a relatively large stiffness and smaller damage index value when the residual deformation of the beam is first reduced by activation of the SMA wires. The effectiveness of this strengthening method for RC beams is verified by experimental and numerical results.

  10. Voronoi analysis of the short–range atomic structure in iron and iron–carbon melts

    SciTech Connect

    Sobolev, Andrey; Mirzoev, Alexander

    2015-08-17

    In this work, we simulated the atomic structure of liquid iron and iron–carbon alloys by means of ab initio molecular dynamics. Voronoi analysis was used to highlight changes in the close environments of Fe atoms as carbon concentration in the melt increases. We have found, that even high concentrations of carbon do not affect short–range atomic order of iron atoms — it remains effectively the same as in pure iron melts.

  11. Influence of nanoparticle size to the electrical properties of naphthalenediimide on single-walled carbon nanotube wiring

    NASA Astrophysics Data System (ADS)

    Tanaka, Hirofumi; Hong, Liu; Fukumori, Minoru; Negishi, Ryota; Kobayashi, Yoshihiro; Tanaka, Daisuke; Ogawa, Takuji

    2012-06-01

    Nanoparticles of N,N‧-bis(n-alkyl)tetracarbonatenaphthalenediimide (NDI) were adsorbed on single-walled carbon nanotube (SWNT) wires dispersed on a SiO2 substrate. The electrical properties were measured along the long axis of the SWNTs, and in all cases through the nanoparticles showed rectification in semiconducting I-V curve. The plateau width of the I-V curve through the NDI nanoparticles on metallic SWNTs decreased as the particle size increased, while the rectification ratio increased. The conduction mechanism was changed from tunneling conduction to Schottky-like conduction and their boundary is at about 3 nm diameter.

  12. Sintered wire annode

    DOEpatents

    Falce, Louis R.; Ives, R. Lawrence

    2007-12-25

    A plurality of high atomic number wires are sintered together to form a porous rod that is parted into porous disks which will be used as x-ray targets. A thermally conductive material is introduced into the pores of the rod, and when a stream of electrons impinges on the sintered wire target and generates x-rays, the heat generated by the impinging x-rays is removed by the thermally conductive material interspersed in the pores of the wires.

  13. Current-induced dynamics in carbon atomic contacts

    PubMed Central

    Gunst, Tue

    2011-01-01

    Summary Background: The effect of electric current on the motion of atoms still poses many questions, and several mechanisms are at play. Recently there has been focus on the importance of the current-induced nonconservative forces (NC) and Berry-phase derived forces (BP) with respect to the stability of molecular-scale contacts. Systems based on molecules bridging electrically gated graphene electrodes may offer an interesting test-bed for these effects. Results: We employ a semi-classical Langevin approach in combination with DFT calculations to study the current-induced vibrational dynamics of an atomic carbon chain connecting electrically gated graphene electrodes. This illustrates how the device stability can be predicted solely from the modes obtained from the Langevin equation, including the current-induced forces. We point out that the gate offers control of the current, independent of the bias voltage, which can be used to explore current-induced vibrational instabilities due the NC/BP forces. Furthermore, using tight-binding and the Brenner potential we illustrate how Langevin-type molecular-dynamics calculations including the Joule heating effect for the carbon-chain systems can be performed. Molecular dynamics including current-induced forces enables an energy redistribution mechanism among the modes, mediated by anharmonic interactions, which is found to be vital in the description of the electrical heating. Conclusion: We have developed a semiclassical Langevin equation approach that can be used to explore current-induced dynamics and instabilities. We find instabilities at experimentally relevant bias and gate voltages for the carbon-chain system. PMID:22259765

  14. Theoretical two-atom thick semiconducting carbon sheet.

    PubMed

    Hu, Meng; Shu, Yu; Cui, Lin; Xu, Bo; Yu, Dongli; He, Julong

    2014-09-14

    A two-dimensional carbon allotrope, H-net, is proposed using first principle calculations. H-net incorporates C4 distorted squares, C6 hexagons, and C8 octagons. Unlike previously reported planar graphene and other theoretical carbon sheets, H-net is a two-atom thick polymorph with identical C6 + C4 + C6 components cross-facing and covalently buckled to feature a handshake-like model. The feasibility of H-net is evident from its dynamic stability as confirmed by phonon-mode analysis and its lower total energy. H-net is energetically more favorable than synthesized graphdiyne and theoretical graphyne, BPC, S-graphene, polycyclic net, α-squarographite, and lithographite. We explored a possible route for the synthesis of H-net from graphene nanoribbons. Electronic band structure calculations indicated that H-net is a semiconductor with an indirect band gap of 2.11 eV, whereas graphene and many other two-dimensional carbon sheets are metallic. We also explored the electronic structure of one-dimensional nanoribbons derived from H-net. The narrowest H-net nanoribbon showed metallic behavior, whereas the other nanoribbons are semiconductors with band gaps that increase as the nanoribbons widen. H-net and its tailored nanoribbons are expected to possess more electronic properties than graphene because of their exceptional crystal structure and different energy band gaps. PMID:25053451

  15. 76 FR 78882 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Affirmative Preliminary Determination of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-20

    ... FR 65945 (October 29, 2002) (Wire Rod Order). DATES: Effective Date: December 20, 2011. FOR FURTHER... Order, 76 FR 33218 (June 8, 2011) (Initiation). On July 22, 2011, Deacero submitted its response to the... Steel Plate From Canada, 66 FR 7617, 7618 (January 24, 2001)) (Canadian Plate), and accompanying...

  16. Atomic-Scale Investigations of Multiwall Carbon Nanotube Growth

    NASA Astrophysics Data System (ADS)

    Behr, Michael John

    The combination of unique mechanical, thermal, optical, and electronic properties of carbon nanotubes (CNTs) make them a desirable material for use in a wide range of applications. Many of these unique properties are highly sensitive to how carbon atoms are arranged within the graphene nanotube wall. Precise structural control of this arrangement remains the key challenge of CNT growth to realizing their technological potential. Plasma-enhanced chemical vapor deposition (PECVD) from methane-hydrogen gas mixtures using catalytic nanoparticles enables large-scale growth of CNT films and controlled spatial placement of CNTs on a substrate, however, much is still unknown about what happens to the catalyst particle during growth, the atomistic mechanisms involved, and how these dictate the final nanotube structure. To investigate the fundamental processes of CNT growth by PECVD, a suite of characterization techniques were implemented, including attenuated total-reflection Fourier transform infrared spectroscopy (ATR-FTIR), optical emission spectroscopy (OES), Raman spectroscopy, convergent-beam electron diffraction (CBED), high-resolution transmission and scanning-transmission electron microscopy (TEM, STEM), energy dispersive x-ray spectroscopy, and electron energy-loss spectroscopy (EELS). It is found that hydrogen plays a critical role in determining the final CNT structure through controlling catalyst crystal phase and morphology. At low hydrogen concentrations in the plasma iron catalysts are converted to Fe3C, from which high-quality CNTs grow; however, catalyst particles remain as pure iron when hydrogen is in abundance, and produce highly defective CNTs with large diameters. The initially faceted and equiaxed catalyst nanocrystals become deformed and are elongated into a teardrop morphology once a tubular CNT structure is formed around the catalyst particles. Although catalyst particles are single crystalline, they exhibit combinations of small-angle (˜1°-3

  17. The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy Atom.

    PubMed

    Wodyński, Artur; Malkina, Olga L; Pecul, Magdalena

    2016-07-21

    The (2)JCC, (3)JCC, and (4)JCC spin-spin coupling constants in the systems with a heavy atom (Cd, In, Sn, Sb, Te, Hg, Tl, Pb, Bi, and Po) in the coupling path have been calculated by means of density functional theory. The main goal was to estimate the relativistic effects on spin-spin coupling constants and to explore the factors which may influence them, including the nature of the heavy atom and carbon hybridization. The methods applied range, in order of reduced complexity, from the Dirac-Kohn-Sham (DKS) method (density functional theory with four-component Dirac-Coulomb Hamiltonian), through DFT with two- and one-component zeroth-order regular approximation (ZORA) Hamiltonians, to scalar effective core potentials (ECPs) with the nonrelativistic Hamiltonian. The use of DKS and ZORA methods leads to very similar results, and small-core ECPs of the MDF and MWB variety reproduce correctly the scalar relativistic effects. Scalar relativistic effects usually are larger than the spin-orbit coupling effects. The latter tend to influence the most the coupling constants of the sp(3)-hybridized carbon atoms and in compounds of the p-block heavy atoms. Large spin-orbit coupling contributions for the Po compounds are probably connected with the inverse of the lowest triplet excitation energy. PMID:27177252

  18. Investigation of lauric acid dopant as a novel carbon source in MgB 2 wire

    NASA Astrophysics Data System (ADS)

    Lee, C. M.; Lee, S. M.; Park, G. C.; Joo, J.; Lim, J. H.; Kang, W. N.; Yi, J. H.; Jun, B.-H.; Kim, C.-J.

    2010-11-01

    We fabricated lauric acid (LA) doped MgB 2 wires and investigated the effects of the LA doping. For the fabrication of the LA-doped MgB 2 wires, B powder was mixed with LA at 0-5 wt.% of the total amount of MgB 2 using an organic solvent, dried, and then the LA-treated B and Mg powders were mixed stoichiometrically. The powder mixture was loaded into an Fe tube and the assemblage was drawn and sintered at 900 °C for 3 h under an argon atmosphere. We observed that the LA doping induced the substitution of C for the B sites in MgB 2 and that the actual content of C increased monotonically with increasing LA doping level. The LA-doped MgB 2 wires exhibited a lower critical temperature ( Tc), but better critical current density ( Jc) behavior in a high magnetic field: the 5 wt.% LA-doped sample had a Jc value of 5.32 × 10 3 A/cm 2, which was 2.17 times higher than that of the pristine sample (2.45 × 10 3 A/cm 2) at 5 K and 6 T, suggesting that LA is an effective C dopant in MgB 2 for enhancing the high-field Jc performance.

  19. The initial flow dynamics of light atoms through carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Cannon, James; Kim, Daejoong; Hess, Ortwin

    2011-04-01

    Carbon nanotubes are becoming increasingly viable as membranes for application in a wide variety of nano-fluidic applications, such as nano-scale nozzles. For potential applications that utilize switching on and off of flow through nanotube nozzles, it is important to understand the initial flow dynamics. Furthermore, when the nanotube interacts strongly with the fluid, the flow may be very different from conventional simulations, which consider atoms (such as argon, for example) that interact only weakly with the nanotube. Therefore, to better understand such flows and explore the potential manipulation of flow that can be achieved, we consider the initial flow dynamics of a light fluid through carbon nanotube nozzles, using non-equilibrium molecular dynamics simulations. Our studies show that if the conditions are controlled carefully, unusual phenomena can be generated, such as pulsed flow and very nonlinear increases in flow rate with nanotube diameter. We detail the physical reasons for such phenomena and describe how the pulsation can be controlled using temperature.

  20. Hot wire production of single-wall and multi-wall carbon nanotubes

    DOEpatents

    Dillon, Anne C.; Mahan, Archie H.; Alleman, Jeffrey L.

    2010-10-26

    Apparatus (210) for producing a multi-wall carbon nanotube (213) may comprise a process chamber (216), a furnace (217) operatively associated with the process chamber (216), and at least one filament (218) positioned within the process chamber (216). At least one power supply (220) operatively associated with the at least one filament (218) heats the at least one filament (218) to a process temperature. A gaseous carbon precursor material (214) operatively associated with the process chamber (216) provides carbon for forming the multi-wall carbon nanotube (213). A metal catalyst material (224) operatively associated with the process (216) catalyzes the formation of the multi-wall carbon nanotube (213).

  1. Dispersion interaction between crossed conducting wires

    SciTech Connect

    Dobson, John F.; Gould, Timothy; Klich, Israel

    2009-07-15

    We compute the T=0 K Van der Waals (nonretarded Casimir) interaction energy E between two infinitely long, crossed conducting wires separated by a minimum distance D much greater than their radius. We find that, up to a logarithmic correction factor, E{proportional_to}-D{sup -1}|sin {theta}|{sup -1}f({theta}), where f({theta}) is a smooth bounded function of the angle {theta} between the wires. We recover a conventional result of the form E{proportional_to}-D{sup -4}|sin {theta}|{sup -1}g({theta}) when we include an electronic energy gap in our calculation. Our prediction of gap-dependent energetics may be observable experimentally for carbon nanotubes either via atomic force microscopy detection of the Van der Waals force or torque or indirectly via observation of mechanical oscillations. This shows that strictly parallel wires, as assumed in previous predictions, are not needed to see a unique effect of this type.

  2. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions.

    PubMed

    Zope, Rajendra R; Bhusal, Shusil; Basurto, Luis; Baruah, Tunna; Jackson, Koblar

    2015-08-28

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C60@C240 and C60@C180 onions shows that, compared to the polarizability of isolated C60 fullerene, the encapsulation of the C60 in C240 and C180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C60 in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability. PMID:26328842

  3. Biofunctionalization of carbon nanotubes for atomic force microscopy imaging.

    PubMed

    Woolley, Adam T

    2004-01-01

    The study of biological processes relies increasingly on methods for probing structure and function of biochemical machinery (proteins, nucleic acids, and so on) with submolecular resolution. Atomic force microscopy (AFM) has recently emerged as a promising approach for imaging biological structures with resolution approaching the nanometer scale. Two important limitations of AFM in biological imaging are (1) resolution is constrained by probe tip dimensions, and (2) typical probe tips lack chemical specificity to differentiate between functional groups in biological structures. Single-walled carbon nanotubes (SWNTs) offer an intriguing possibility for providing both high resolution and chemical selectivity in AFM imaging, thus overcoming the enumerated limitations. Procedures for generating SWNT tips for AFM will be described. Carboxylic acid functional groups at the SWNT ends can be functionalized using covalent coupling chemistry to attach biological moieties via primary amine groups. Herein, the focus will be on describing methods for attaching biotin to SWNT tips and probing streptavidin on surfaces; importantly, this same coupling chemistry can also be applied to other biomolecules possessing primary amine groups. Underivatized SWNT tips can also provide high-resolution AFM images of DNA. Biofunctionalization of SWNT AFM tips offers great potential to enable high-resolution, chemically selective imaging of biological structures. PMID:15197321

  4. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

    NASA Astrophysics Data System (ADS)

    Zope, Rajendra R.; Bhusal, Shusil; Basurto, Luis; Baruah, Tunna; Jackson, Koblar

    2015-08-01

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C60@C240 and C60@C180 onions shows that, compared to the polarizability of isolated C60 fullerene, the encapsulation of the C60 in C240 and C180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C60 in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability.

  5. Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

    SciTech Connect

    Zope, Rajendra R. Baruah, Tunna; Bhusal, Shusil; Basurto, Luis; Jackson, Koblar

    2015-08-28

    We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encapsulated clusters and behave like Faraday cages. The polarizability of endohedral fullerenes is slightly smaller than the polarizability of the corresponding bare carbon fullerenes. The application of the site specific polarizabilities to C{sub 60}@C{sub 240} and C{sub 60}@C{sub 180} onions shows that, compared to the polarizability of isolated C{sub 60} fullerene, the encapsulation of the C{sub 60} in C{sub 240} and C{sub 180} fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C{sub 60} in the two onions is a result of differences in the bonding (intershell electron transfer), fullerene shell relaxations, and intershell separations. The site specific analysis further shows that the outer atoms in a fullerene shell contribute most to the fullerene polarizability.

  6. Effect of microalloying on the strength of high carbon wire steels

    NASA Astrophysics Data System (ADS)

    Miller, Stephanie L.

    Microalloying additions of V, Nb, and N were investigated as means of increasing strength of eutectoid steels for wire applications. In order to examine the effects of microalloying additions during several stages of wire processing, continuous cooling experiments with and without deformation as well as patenting simulations were conducted using a Gleeble® 3500 thermomechanical simulator. Continuous cooling was performed from industrial austenitizing (1093 °C) and laying head (950 °C and 880 °C) temperatures, at rates ranging from 1 50 °C/s. Deformation was induced via hot torsion testing, which was followed by continuous cooling from 950 °C at rates of 5, 10, and 25 °C/s. Industrial wire patenting was simulated by austenitizing at 1093 °C or 950 °C for 30 sec, then rapid cooling to isothermal transformation temperatures of 575, 600, 625, and 650 °C for 15 sec before cooling to room temperature. Metallography, Vickers hardness, pearlite colony size and pearlite interlamellar spacing (ILS) measurements were used to examine the effects of these treatments. Continuous cooling transformation (CCT) curves were constructed for four steels: 1080, V, V+N, and V+Nb. In the V-microalloyed steel, additional N accelerated pearlite transformation and Nb delayed pearlite transformation. Observed N effects are in agreement with the theory of VN nucleating grain boundary ferrite and accelerating pearlite transformation, proposed by Han et al. [1995], and also consistent with observations by Brownrigg and Prior [2002]. Delay of transformation temperatures has been observed due to Nb effects [De Ardo, 2009]. A larger delay observed with higher austenitizing temperatures suggests that Nb precipitates may not be as effective at delaying transformation. V strengthening effects were observed in all microalloyed steels using a model that predicted hardness of eutectoid steels by incorporating colony size and ILS measurements, with maximum strengthening observed

  7. Basic Wiring.

    ERIC Educational Resources Information Center

    Kaltwasser, Stan; And Others

    This module is the first in a series of three wiring publications; it serves as the foundation for students enrolled in a wiring program. It is a prerequisite to either "Residential Wiring" or "Commercial and Industrial Wiring." The module contains 16 instructional units that cover the following topics: occupational introduction; general safety;…

  8. Carbon fiber CVD coating by carbon nanostructured for space materials protection against atomic oxygen

    NASA Astrophysics Data System (ADS)

    Pastore, Roberto; Bueno Morles, Ramon; Micheli, Davide

    2016-07-01

    , by the purpose to integrate the carbon nanostructures in the carbon fibers by means of chemical vapor deposition (CVD) method, in order to develop the basic substrate of advanced carbon-based nanocomposite for atomic oxygen protection. The nanostructures grown onto the carbon fibers can be used to create multiscale hybrid carbon nanotube/carbon fiber composites where individual carbon fibers, which are several microns in diameter, are surrounded by nanotubes. The present objective is the setting-up of the CVD parameters for a reliable growth of carbon nanostructures on carbon fiber surface; after that, the results of a preliminary characterization related to atomic oxygen effects testing by means of a ground LEO simulation facility are reported and discussed.

  9. Carbon Nanotube Atomic Force Microscopy for Proteomics and Biological Forensics

    SciTech Connect

    Noy, A; De Yoreo, J J; Malkin, A J

    2002-01-01

    The Human Genome Project was focused on mapping the complete genome. Yet, understanding the structure and function of the proteins expressed by the genome is the real end game. But there are approximately 100,000 proteins in the human body and the atomic structure has been determined for less than 1% of them. Given the current rate at which structures are being solved, it will take more than one hundred years to complete this task. The rate-limiting step in protein structure determination is the growth of high-quality single crystals for X-ray diffraction. Synthesis of the protein stock solution as well as X-ray diffraction and analysis can now often be done in a matter of weeks, but developing a recipe for crystallization can take years and, especially in the case of membrane proteins, is often completely unsuccessful. Consequently, techniques that can either help to elucidate the factors controlling macromolecular crystallization, increase the amount of structural information obtained from crystallized macromolecules or eliminate the need for crystallization altogether are of enormous importance. In addition, potential applications for those techniques extend well beyond the challenges of proteomics. The global spread of modern technology has brought with it an increasing threat from biological agents such as viruses. As a result, developing techniques for identifying and understanding the operation of such agents is becoming a major area of forensic research for DOE. Previous to this project, we have shown that we can use in situ atomic force microscopy (AFM) to image the surfaces of growing macromolecular crystals with molecular resolution (1-5) In addition to providing unprecedented information about macromolecular nucleation, growth and defect structure, these results allowed us to obtain low-resolution phase information for a number of macromolecules, providing structural information that was not obtainable from X-ray diffraction(3). For some virus systems

  10. Electronic structure of Ag-induced atomic wires on Si(5 5 7) investigated by STS and angle-resolved photoemission

    NASA Astrophysics Data System (ADS)

    Morikawa, Harumo; Kang, Pil Gyu; Yeom, Han Woong

    2008-12-01

    One-dimensional (1D) superstructures on the Si(5 5 7) surface induced by Ag adsorption have been investigated by scanning tunneling microscopy/spectroscopy (STM/STS) and angle-resolved photoemission. The deposition of ˜0.3 ML of Ag at 450-620 °C yields three different kinds of 1D structures along step edges. These structures form domains of different morphology, whose areal ratio depends on the growth temperature. They commonly share a characteristic atomic-scale wire structure with a ×2 periodicity. These structures are insulating with a band gap of about 0.5 eV as revealed by STS and confirmed consistently by angle-resolved photoemission, in clear contrast to the very recent inverse photoemission result (Phys. Rev. B 77 (2008) 125419).

  11. Water Desalination with Wires.

    PubMed

    Porada, S; Sales, B B; Hamelers, H V M; Biesheuvel, P M

    2012-06-21

    We show the significant potential of water desalination using a novel capacitive wire-based technology in which anode/cathode wire pairs are constructed from coating a thin porous carbon electrode layer on top of electrically conducting rods (or wires). By alternately dipping an array of electrode pairs in freshwater with and in brine without an applied cell voltage, we create an ion adsorption/desorption cycle. We show experimentally how in six subsequent cycles we can reduce the salinity of 20 mM feed (brackish) water by a factor of 3, while application of a cation exchange membrane on the cathode wires makes the desalination factor increase to 4. Theoretical modeling rationalizes the experimental findings, and predicts that system performance can be significantly enhanced by material modifications. To treat large volumes of water, multiple stacks of wire pairs can be used simultaneously in a "merry-go-round" operational mode. PMID:26285717

  12. Crossed-Wire Laser Microwelding of Pt-10 Pct Ir to 316 Low-Carbon Vacuum Melted Stainless Steel: Part I. Mechanism of Joint Formation

    NASA Astrophysics Data System (ADS)

    Zou, G. S.; Huang, Y. D.; Pequegnat, A.; Li, X. G.; Khan, M. I.; Zhou, Y.

    2012-04-01

    The excellent biocompatibility and corrosion properties of Pt alloys and 316 low-carbon vacuum melted (LVM) stainless steel (SS) make them attractive for biomedical applications. With the increasing complexity of medical devices and in order to lower costs, the challenge of joining dissimilar materials arises. In this study, laser microwelding (LMW) of crossed Pt-10 pct Ir to 316 LVM SS wires was performed and the weldability of these materials was determined. The joint geometry, joining mechanism, joint breaking force (JBF), and fracture modes were investigated using optical microscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and microtensile testing. It was shown that the mechanisms of joint formation transitioned from (1) brazing, (2) a combination of brazing and fusion welding, and (3) fusion welding with increasing pulsed laser energy. The joints demonstrated various tensile failure modes including (1) interfacial failure below a peak power of 0.24 kW, (2) partial interfacial failure that propagated into the Pt-Ir wire, (3) failure in the Pt-Ir wire, and (4) failure in the SS wire due to porosity and severe undercutting caused by overwelding. During this study, the optimal laser peak power range was identified to produce joints with good joint geometry and 90 pct of the tensile strength of the Pt-10 pct Ir wire.

  13. CARBON BLACK DISPERSION PRE-PLATING TECHNOLOGY FOR PRINTED WIRE BOARD MANUFACTURING

    EPA Science Inventory

    This evaluation addresses the product quality, waste reduction, and economic issues involved in replacing electroless copper with a carbon black dispersion technology. McCurdy Circuits of Orange County, California, currently has both processes in operation. McCurdy has found that...

  14. Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

    NASA Astrophysics Data System (ADS)

    Lee, Shih-Huang; Chen, Wei-Kan; Chin, Chih-Hao; Huang, Wen-Jian

    2013-11-01

    We investigated the dynamics of the reaction of 3P atomic carbon with propene (C3H6) at reactant collision energy 3.8 kcal mol-1 in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Products C4H5, C4H4, C3H3, and CH3 were observed and attributed to exit channels C4H5 + H, C4H4 + 2H, and C3H3 + CH3; their translational-energy distributions and angular distributions were derived from the measurements of product time-of-flight spectra. Following the addition of a 3P carbon atom to the C=C bond of propene, cyclic complex c-H2C(C)CHCH3 undergoes two separate stereoisomerization mechanisms to form intermediates E- and Z-H2CCCHCH3. Both the isomers of H2CCCHCH3 in turns decompose to C4H5 + H and C3H3 + CH3. A portion of C4H5 that has enough internal energy further decomposes to C4H4 + H. The three exit channels C4H5 + H, C4H4 + 2H, and C3H3 + CH3 have average translational energy releases 13.5, 3.2, and 15.2 kcal mol-1, respectively, corresponding to fractions 0.26, 0.41, and 0.26 of available energy deposited to the translational degrees of freedom. The H-loss and 2H-loss channels have nearly isotropic angular distributions with a slight preference at the forward direction particularly for the 2H-loss channel. In contrast, the CH3-loss channel has a forward and backward peaked angular distribution with an enhancement at the forward direction. Comparisons with reactions of 3P carbon atoms with ethene, vinyl fluoride, and vinyl chloride are stated.

  15. Surface reactions of molecular and atomic oxygen with carbon phosphide films.

    PubMed

    Gorham, Justin; Torres, Jessica; Wolfe, Glenn; d'Agostino, Alfred; Fairbrother, D Howard

    2005-11-01

    The surface reactions of atomic and molecular oxygen with carbon phosphide films have been studied using X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Carbon phosphide films were produced by ion implantation of trimethylphosphine into polyethylene. Atmospheric oxidation of carbon phosphide films was dominated by phosphorus oxidation and generated a carbon-containing phosphate surface film. This oxidized surface layer acted as an effective diffusion barrier, limiting the depth of phosphorus oxidation within the carbon phosphide film to < 3 nm. The effect of atomic oxygen (AO) exposure on this oxidized carbon phosphide layer was subsequently probed in situ using XPS. Initially AO exposure resulted in a loss of carbon atoms from the surface, but increased the surface concentration of phosphorus atoms as well as the degree of phosphorus oxidation. For more prolonged AO exposures, a highly oxidized phosphate surface layer formed that appeared to be inert toward further AO-mediated erosion. By utilizing phosphorus-containing hydrocarbon thin films, the phosphorus oxides produced during exposure to AO were found to desorb at temperatures >500 K under vacuum conditions. Results from this study suggest that carbon phosphide films can be used as AO-resistant surface coatings on polymers. PMID:16853637

  16. A simple and clean source of low-energy atomic carbon

    SciTech Connect

    Krasnokutski, S. A.; Huisken, F.

    2014-09-15

    A carbon source emitting low-energy carbon atoms from a thin-walled, sealed tantalum tube via thermal evaporation has been constructed. The tube is made from a 0.05 mm thick tantalum foil and filled with {sup 12}C or {sup 13}C carbon powder. After being sealed, it is heated by direct electric current. The solvated carbon atoms diffuse to the outer surface of the tube and, when the temperature rises over 2200 K, the evaporation of atomic carbon from the surface of the tantalum tube is observed. As the evaporated species have low energy they are well-suited for the incorporation into liquid helium droplets by the pick-up technique. Mass analysis of the incorporated species reveals the dominant presence of atomic carbon and very low abundances of C{sub 2} and C{sub 3} molecules (<1%). This is in striking contrast to the thermal evaporation of pure carbon, where C{sub 3} molecules are found to be the dominant species in the gas phase. Due to the thermal evaporation and the absence of high-energy application required for the dissociation of C{sub 2} and C{sub 3} molecules, the present source provides carbon atoms with rather low energy.

  17. Ab initio study of semiconductor atoms impurities in zigzag edge (10,0) carbon nanotubes

    SciTech Connect

    Muttaqien, Fahdzi Suprijadi

    2015-04-16

    The substitutional impurities in zigzag edge (10,0) carbon nanotubes have been studied by using first principles calculations. Silicon (Si), gallium (Ga), and arsenic (As) atom have been chosen as semiconductor based-atom for replacing carbon atoms in CNT’s surface. The silicon atom changes the energy gap of pristine zigzag (10,0) CNT, it is 0.19 eV more narrow than that of pristine CNT. Geometrically, the silicon atom creates sp{sup 3} bond with three adjacent carbon atoms, where the tetrahedral form of its sp{sup 3} bond is consisted of free unoccupied state. The silicon atom does not induce magnetism to zigzag CNT. Due to gallium (Ga) and arsenic (As) atom substitution, the zigzag CNT becomes metallic and has magnetic moment of 1 µ{sub B}. The valance and conduction band are crossed each other, then the energy gap is vanished. The electronic properties of GaAs-doped CNT are dominantly affected by gallium atom and its magnetic properties are dominantly affected by arsenic atom. These results prove that the CNT with desired properties can be obtained with substitutional impurities without any giving structural defect.

  18. Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

    NASA Technical Reports Server (NTRS)

    Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

    2015-01-01

    The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT

  19. Local Control of Lung Derived Tumors by Diffusing Alpha-Emitting Atoms Released From Intratumoral Wires Loaded With Radium-224

    SciTech Connect

    Cooks, Tomer; Schmidt, Michael; Bittan, Hadas; Lazarov, Elinor; Arazi, Lior; Kelson, Itzhak; Keisari, Yona

    2009-07-01

    Purpose: Diffusing alpha-emitters radiation therapy (DART) is a new form of brachytherapy enabling the treatment of solid tumors with alpha radiation. The present study examines the antitumoral effects resulting from the release of alpha emitting radioisotopes into solid lung carcinoma (LL2, A427, and NCI-H520). Methods and Materials: An in vitro setup tested the dose-dependent killing of tumor cells exposed to alpha particles. In in vivo studies, radioactive wires (0.3 mm diameter, 5 mm long) with {sup 224}Ra activities in the range of 21-38 kBq were inserted into LL/2 tumors in C57BL/6 mice and into human-derived A427 or NCI-H520 tumors in athymic mice. The efficacy of the short-lived daughters of {sup 224}Ra to produce tumor growth retardation and prolong life was assessed, and the spread of radioisotopes inside tumors was measured using autoradiography. Results: The insertion of a single DART wire into the center of 6- to 7-mm tumors had a pronounced retardation effect on tumor growth, leading to a significant inhibition of 49% (LL2) and 93% (A427) in tumor development and prolongations of 48% (LL2) in life expectancy. In the human model, more than 80% of the treated tumors disappeared or shrunk. Autoradiographic analysis of the treated sectioned tissue revealed the intratumoral distribution of the radioisotopes, and histological analysis showed corresponding areas of necrosis. In vitro experiments demonstrated a dose-dependent killing of tumors cells exposed to alpha particles. Conclusions: Short-lived diffusing alpha-emitters produced tumor growth retardation and increased survival in mice bearing lung tumor implants. These results justify further investigations with improved dose distributions.

  20. Optimization of the Purification and Processing of Carbon Nanotubes for Strong, Conductive and Lightweight Wires

    NASA Astrophysics Data System (ADS)

    Moses, Brian T.

    Single walled carbon nanotubes are produced using standard synthesis and purification techniques. Bulk materials produced using filtration drying are characterized mechanically and electrically for engineering properties. Modifications to the purification process are explored with consideration given for the effects on electrical conductivity and mechanical strength. Raman spectroscopy, thermal oxidation profiling, and high-temperature vacuum annealing are used to gain further insight on the connection between defects and nanotube oxidation during the purification process. It is observed that the mechanical properties are strongly temperature dependent, while electrical conductivity varies with humidity rather than temperature. The use of a thermal vacuum anneal can improve separation of oxidative processes between nanotubes and carbon in the time domain, allowing further optimization of the thermal processing and improved physical properties of nanotube bulk materials post-processing.

  1. Structure and stability of a silicon cluster on sequential doping with carbon atoms

    NASA Astrophysics Data System (ADS)

    AzeezullaNazrulla, Mohammed; Joshi, Krati; Israel, S.; Krishnamurty, Sailaja

    2016-02-01

    SiC is a highly stable material in bulk. On the other hand, alloys of silicon and carbon at nanoscale length are interesting from both technological as well fundamental view point and are being currently synthesized by various experimental groups (Truong et. al., 2015 [26]). In the present work, we identify a well-known silicon cluster viz., Si10 and dope it sequentially with carbon atoms. The evolution of electronic structure (spin state and the structural properties) on doping, the charge redistribution and structural properties are analyzed. It is interesting to note that the ground state SiC clusters prefer to be in the lowest spin state. Further, it is seen that carbon atoms are the electron rich centres while silicon atoms are electron deficient in every SiC alloy cluster. The carbon-carbon bond lengths in alloy clusters are equivalent to those seen in fullerene molecules. Interestingly, the carbon atoms tend to aggregate together with silicon atoms surrounding them by donating the charge. As a consequence, very few Si-Si bonds are noted with increasing concentrations of C atoms in a SiC alloy. Physical and chemical stability of doped clusters is studied by carrying out finite temperature behaviour and adsorbing O2 molecule on Si9C and Si8C2 clusters, respectively.

  2. Understanding the Mechanisms Enabling an Ultra-high Efficiency Moving Wire Interface for Real-time Carbon 14 Accelerator Mass Spectrometry Quantitation of Samples Suspended in Solvent

    NASA Astrophysics Data System (ADS)

    Thomas, Avraham Thaler

    Carbon 14 (14C) quantitation by accelerator mass spectrometry (AMS) is a powerfully sensitive and uniquely quantitative tool for tracking labeled carbonaceous molecules in biological systems. This is due to 14C's low natural abundance of 1 ppt, the nominal difference in biological activity between an unlabeled and a 14C-labeled molecule, and the ability of AMS to measure isotopic ratios independently of a sample's other characteristics. To make AMS more broadly accessible, a moving wire interface for real-time coupling of high pressure liquid chromatography (HPLC) to AMS and high throughput AMS quantitation of minute single samples has been developed. Prior to this work, samples needed to be converted to solid carbon before measurement. This conversion process has many steps and requires that the sample size be large enough to allow precise handling of the resulting graphite. These factors make the process susceptible to error and time consuming, as well as requiring 0.5 ug of carbon. Samples which do not contain enough carbon, such as HPLC fractions, must be bulked up. This adds background and increases effort. The moving wire interface overcomes these limitations by automating sample processing. Samples placed on the wire are transported through a solvent removal stage followed by a combustion stage after which the combustion products are directed to a gas accepting ion source. The ion source converts the carbon from the CO2 combustion product into C ions, from which an isotopic ratio can be determined by AMS. Although moving wire interfaces have been implemented for various tasks since 1964, the efficiency of these systems at transferring fluid from an HPLC to the wire was only 3%, the efficiency of transferring combustion products from the combustion oven to ion source was only 30%, the flow and composition of the carrier gas from the combustion oven to the ion source needed to be optimized for coupling to an AMS gas accepting ion source and the drying ovens

  3. Carbon fiber CVD coating by carbon nanostructured for space materials protection against atomic oxygen

    NASA Astrophysics Data System (ADS)

    Pastore, Roberto; Bueno Morles, Ramon; Micheli, Davide

    2016-07-01

    In recent years, the emphasis in space research has been shifting from space exploration to commercialization of space. In order to utilize space for commercial purposes it is necessary to understand the low earth orbit (LEO) space environment where most of the activities will be carried out. The studies on the LEO environment are mainly focused towards understanding the effect of atomic oxygen (AO) on spacecraft materials. In the first few shuttle flights, materials looked frosty because they were actually being eroded and textured: AO reacts with organic materials on spacecraft exteriors, gradually damaging them. When a spacecraft travel in LEO (where crewed vehicles and the International Space Station fly), the AO formed from the residual atmosphere can react with the spacecraft surfaces, causing damage to the vehicle. Polymers are widely used in space vehicles and systems as structural materials, thermal blankets, thermal control coatings, conformal coatings, adhesives, lubricants, etc. Exposure of polymers and composites to the space environment may result in different detrimental effects via modification of their chemical, electrical, thermal, optical and mechanical properties as well as surface erosion. The major degradation effects in polymers are due to their exposure to atomic oxygen, vacuum ultraviolet and synergistic effects, which result in different damaging effects by modification of the polymer's chemical properties. In hydrocarbon containing polymers the main AO effect is the surface erosion via chemical reactions and the release of volatile reaction products associated with the mass loss. The application of a thin protective coating to the base materials is one of the most commonly used methods of preventing AO degradation. The purpose is to provide a barrier between base material and AO environment or, in some cases, to alter AO reactions to inhibit its diffusion. The effectiveness of a coating depends on its continuity, porosity, degree of

  4. Plasmon enhanced Raman scattering effect for an atom near a carbon nanotube.

    PubMed

    Bondarev, I V

    2015-02-23

    Quantum electrodynamics theory of the resonance Raman scattering is developed for an atom in a close proximity to a carbon nanotube. The theory predicts a dramatic enhancement of the Raman intensity in the strong atomic coupling regime to nanotube plasmon near-fields. This resonance scattering is a manifestation of the general electromagnetic surface enhanced Raman scattering effect, and can be used in designing efficient nanotube based optical sensing substrates for single atom detection, precision spontaneous emission control, and manipulation. PMID:25836436

  5. Ultralow nanoscale wear through atom-by-atom attrition in silicon-containing diamond-like carbon.

    PubMed

    Bhaskaran, Harish; Gotsmann, Bernd; Sebastian, Abu; Drechsler, Ute; Lantz, Mark A; Despont, Michel; Jaroenapibal, Papot; Carpick, Robert W; Chen, Yun; Sridharan, Kumar

    2010-03-01

    Understanding friction and wear at the nanoscale is important for many applications that involve nanoscale components sliding on a surface, such as nanolithography, nanometrology and nanomanufacturing. Defects, cracks and other phenomena that influence material strength and wear at macroscopic scales are less important at the nanoscale, which is why nanowires can, for example, show higher strengths than bulk samples. The contact area between the materials must also be described differently at the nanoscale. Diamond-like carbon is routinely used as a surface coating in applications that require low friction and wear because it is resistant to wear at the macroscale, but there has been considerable debate about the wear mechanisms of diamond-like carbon at the nanoscale because it is difficult to fabricate diamond-like carbon structures with nanoscale fidelity. Here, we demonstrate the batch fabrication of ultrasharp diamond-like carbon tips that contain significant amounts of silicon on silicon microcantilevers for use in atomic force microscopy. This material is known to possess low friction in humid conditions, and we find that, at the nanoscale, it is three orders of magnitude more wear-resistant than silicon under ambient conditions. A wear rate of one atom per micrometre of sliding on SiO(2) is demonstrated. We find that the classical wear law of Archard does not hold at the nanoscale; instead, atom-by-atom attrition dominates the wear mechanisms at these length scales. We estimate that the effective energy barrier for the removal of a single atom is approximately 1 eV, with an effective activation volume of approximately 1 x 10(-28) m. PMID:20118919

  6. Identification of the mechanisms responsible for static strain ageing in heavily drawn pearlitic steel wires

    NASA Astrophysics Data System (ADS)

    Lamontagne, A.; Kleber, X.; Massardier-Jourdan, V.; Mari, D.

    2014-08-01

    The microstructural changes occurring during drawing and ageing in pearlitic steel wires have been studied using the thermoelectric power (TEP) measurements combined with atom probe tomography (APT) and differential scanning calorimetry (DSC). APT analysis confirmed that cementite dissolution occurs during the cold-drawing process. The high sensitivity of TEP to solute atoms allowed two ageing mechanisms to be identified, both related to a redistribution of carbon atoms. The complementary use of tensile tests and DSC confirmed these results.

  7. Curvature aided efficient axial field emission from carbon nanofiber-reduced graphene oxide superstructures on tungsten wire substrate

    NASA Astrophysics Data System (ADS)

    Jha, Arunava; Roy, Rajarshi; Sen, Dipayan; Chattopadhyay, Kalyan K.

    2016-03-01

    Field emission characteristics found in reduced graphene oxide (RGO) and RGO based composite systems have always been an area of research interest mainly due to presence of prolific quasi aligned edges working as emitter sites. However, the specific role and extent of edge curvature geometry in RGO systems in regards to the enhancement of field emission has not discussed thoroughly prior to this work. In this work we demonstrate enhanced axial field emission due to top assembly of thin RGO layer over a quasi-vertically aligned carbon nanofiber thin film supported on a tungsten wire substrate. Furthermore, simulation analysis for our RGO based hybrid system using finite element modeling showed that two-stage local field amplification in RGO is responsible for the overall improvement of field emission characteristics. In support of our findings, a tentative explanation has been proposed based on the additional emission from RGO edges in between the CNF network resulting to the enhancement of axial field emission in the nanocomposite superstructure.

  8. Influence of Nb Additions on Microstructural Evolution of a V-Microalloyed High-Carbon Wire Steel During Patenting

    NASA Astrophysics Data System (ADS)

    Miller, Stephanie L.; de Moor, Emmanuel

    2014-08-01

    This study investigated the feasibility of microalloying strategies for improving the strength of high-carbon wire products subjected to industrial patenting heat treatments for two eutectoid steels: a 0.8C-0.5Mn-0.2Cr-0.08 V alloy (wt.%) and the same composition with an additional 100 ppm Nb. A Gleeble 3500 thermomechanical simulator (Dynamic Systems Inc., Poestenkill, NY, USA) was used to perform heat treatments consisting of a 30 s austenitization at 1093 °C, 950 °C, or 880 °C followed by a 15 s isothermal transformation step at 650 °C, 625 °C, 600 °C, or 575 °C. Vickers hardness, field-emission scanning electron microscopy, and pearlite interlamellar spacing measurements were conducted to assess the effects of the heat treatments. Niobium microalloying additions were found to provide no hardness increase, but they extended the pearlitic regime to lower isothermal transformation temperatures.

  9. EBSD analysis of tungsten-filament carburization during the hot-wire CVD of multi-walled carbon nanotubes.

    PubMed

    Oliphant, Clive J; Arendse, Christopher J; Camagu, Sigqibo T; Swart, Hendrik

    2014-02-01

    Filament condition during hot-wire chemical vapor deposition conditions of multi-walled carbon nanotubes is a major concern for a stable deposition process. We report on the novel application of electron backscatter diffraction to characterize the carburization of tungsten filaments. During the synthesis, the W-filaments transform to W2C and WC. W-carbide growth followed a parabolic behavior corresponding to the diffusion of C as the rate-determining step. The grain size of W, W2C, and WC increases with longer exposure time and increasing filament temperature. The grain size of the recrystallizing W-core and W2C phase grows from the perimeter inwardly and this phenomenon is enhanced at filament temperatures in excess of 1,400°C. Cracks appear at filament temperatures >1,600°C, accompanied by a reduction in the filament operational lifetime. The increase of the W2C and recrystallized W-core grain size from the perimeter inwardly is ascribed to a thermal gradient within the filament, which in turn influences the hardness measurements and crack formation. PMID:24423105

  10. STEM Imaging of Single Pd Atoms in Activated Carbon Fibers Considered for Hydrogen Storage

    SciTech Connect

    Van Benthem, Klaus; Bonifacio, Cecile S; Contescu, Cristian I; Pennycook, Stephen J; Gallego, Nidia C

    2011-01-01

    Aberration corrected scanning transmission electron microscopy was used to demonstrate the feasibility of imaging individual Pd atoms that are highly dispersed throughout the volume of activated carbon fibers. Simultaneous acquisition of high-angle annular dark-field and bright-field images allows correlation of the location of single Pd atoms with microstructural features of the carbon host material. Sub-Angstrom imaging conditions revealed that 18 wt% of the total Pd content is dispersed as single Pd atoms in three re-occurring local structural arrangements. The identified structural configurations may represent effective storage sites for molecular hydrogen through Kubas complex formation as discussed in detail in the preceding article.

  11. Atomic carbon emission from photodissociation of CO2. [planetary atmospheric chemistry

    NASA Technical Reports Server (NTRS)

    Wu, C. Y. R.; Phillips, E.; Lee, L. C.; Judge, D. L.

    1978-01-01

    Atomic carbon fluorescence, C I 1561, 1657, and 1931 A, has been observed from photodissociation of CO2, and the production cross sections have been measured. A line emission source provided the primary photons at wavelengths from threshold to 420 A. The present results suggest that the excited carbon atoms are produced by total dissociation of CO2 into three atoms. The cross sections for producing the O I 1304-A fluorescence through photodissociation of CO2 are found to be less than 0.01 Mb in the wavelength region from 420 to 835 A. The present data have implications with respect to photochemical processes in the atmospheres of Mars and Venus.

  12. Point defects along metallic atomic wires on vicinal Si surfaces: Si(5 5 7)-Au and Si(5 5 3)-Au

    NASA Astrophysics Data System (ADS)

    Kang, Pil-Gyu; Shin, Jin Sung; Yeom, Han Woong

    2009-08-01

    Point defects on the metallic atomic wires induced by Au adsorbates on vicinal Si surfaces were investigated using scanning tunneling microscopy and spectroscopy (STM and STS). High-resolution STM images revealed that there exist several different types of defects on the Si(5 5 7)-Au surface, which are categorized by their apparent bias-dependent images and compared to the previous report on Si(5 5 3)-Au [Phys. Rev. B (2007) 205325]. The chemical characteristics of these defects were investigated by monitoring them upon the variation of the Au coverage and the adsorption of water molecules. The chemical origins and the tentative atomic structures of the defects are suggested as Si adatoms (and dimers) in different registries, the Au deficiency on terraces, and water molecules adsorbed dissociatively on step edges, respectively. STS measurements disclosed the electronic property of the majority kinds of defects on both Si(5 5 7)-Au and Si(5 5 3)-Au surfaces. In particular, the dominating water-induced defects on both surfaces induce a substantial band gap of about 0.5 eV in clear contrast to Si adatom-type defects. The conduction channels along the metallic step-edge chains thus must be very susceptible to the contamination through the electronic termination by the water adsorption.

  13. 76 FR 67407 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Notice of Preliminary Results of Antidumping...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-01

    ... Alloy Steel Wire Rod from Mexico, (76 FR 45509 (July 29, 2011)). We preliminarily determine that, during..., Indonesia, Mexico, Moldova, Trinidad and Tobago, and Ukraine, 67 FR 65945 (October 29, 2002) (Wire Rod... FR 60733 (October 1, 2010). On October 29, 2010, in accordance with 19 CFR 351.213(b), the...

  14. Synthetic Strategies toward Natural Products Containing Contiguous Stereogenic Quaternary Carbon Atoms.

    PubMed

    Büschleb, Martin; Dorich, Stéphane; Hanessian, Stephen; Tao, Daniel; Schenthal, Kyle B; Overman, Larry E

    2016-03-18

    Strategies for the total synthesis of complex natural products that contain two or more contiguous stereogenic quaternary carbon atoms in their intricate structures are reviewed with 12 representative examples. Emphasis has been put on methods to create quaternary carbon stereocenters, including syntheses of the same natural product by different groups, thereby showcasing the diversity of thought and individual creativity. A compendium of selected natural products containing two or more contiguous stereogenic quaternary carbon atoms and key reactions in their total or partial syntheses is provided in the Supporting Information. PMID:26836448

  15. Stress-rupture strength and microstructural stability of tungsten-hafnium-carbon-wire reinforced superalloy composites

    NASA Technical Reports Server (NTRS)

    Petrasek, D. W.; Signorelli, R. A.

    1974-01-01

    Tungsten-hafnium-carbon - superalloy composites were found to be potentially useful for turbine blade applications on the basis of stress-rupture strength. The 100- and 1000-hr rupture strengths calculated for 70 vol. % fiber composites based on test data at 1090C (2000F) were 420 and 280 MN/m2 (61,000 and 41,000 psi, respectively). The investigation indicated that, with better quality fibers, composites having 100- and 1000-hr rupture strengths of 570 and 370 MN/m2 (82,000 and 54,000 psi, respectively), may be obtained. Metallographic studies indicated sufficient fiber-matrix compatibility for 1000 hr or more at 1090C (2000F).

  16. Atomic Layer Deposition on Carbon Nanotubes and their Assemblies

    NASA Astrophysics Data System (ADS)

    Stano, Kelly Lynn

    Global issues related to energy and the environment have motivated development of advanced material solutions outside of traditional metals ceramics, and polymers. Taking inspiration from composites, where the combination of two or more materials often yields superior properties, the field of organic-inorganic hybrids has recently emerged. Carbon nanotube (CNT)-inorganic hybrids have drawn widespread and increasing interest in recent years due to their multifunctionality and potential impact across several technologically important application areas. Before the impacts of CNT-inorganic hybrids can be realized however, processing techniques must be developed for their scalable production. Optimization in chemical vapor deposition (CVD) methods for synthesis of CNTs and vertically aligned CNT arrays has created production routes both high throughput and economically feasible. Additionally, control of CVD parameters has allowed for growth of CNT arrays that are able to be drawn into aligned sheets and further processed to form a variety of aligned 1, 2, and 3-dimensional bulk assemblies including ribbons, yarns, and foams. To date, there have only been a few studies on utilizing these bulk assemblies for the production of CNT-inorganic hybrids. Wet chemical methods traditionally used for fabricating CNT-inorganic hybrids are largely incompatible with CNT assemblies, since wetting and drying the delicate structures with solvents can destroy their structure. It is therefore necessary to investigate alternative processing strategies in order to advance the field of CNT-inorganic hybrids. In this dissertation, atomic layer deposition (ALD) is evaluated as a synthetic route for the production of large-scale CNT-metal oxide hybrids as well as pure metal oxide architectures utilizing CNT arrays, ribbons, and ultralow density foams as deposition templates. Nucleation and growth behavior of alumina was evaluated as a function of CNT surface chemistry. While highly graphitic

  17. Study on nitrogen doped carbon atom chains with negative differential resistance effect

    NASA Astrophysics Data System (ADS)

    Shen, Ji-Mei; Liu, Jing; Min, Yi; Zhou, Li-Ping

    2016-05-01

    Recent calculations (Mahmoud and Lugli, 2013, [21]) of gold leads sandwiching carbon chains which are separated by diphenyl-dimethyl demonstrated that the negative differential resistance (NDR) effect appears only for "odd" numbers of carbon atoms. In this paper, according to a first-principles study based on non-equilibrium Green's function combining density functional theory, we find that the NDR effect appears both for "odd" and for "even" numbers of carbon atoms when the chains are doped by nitrogen atom. Our calculations remove the restriction of "odd/even" chains for the NDR effect, which may promise the potential applications of carbon chains in the nano-scale or molecular devices in the future.

  18. Optically promoted bipartite atomic entanglement in hybrid metallic carbon nanotube systems

    SciTech Connect

    Gelin, M. F.; Bondarev, I. V.; Meliksetyan, A. V.

    2014-02-14

    We study theoretically a pair of spatially separated extrinsic atomic type species (extrinsic atoms, ions, molecules, or semiconductor quantum dots) near a metallic carbon nanotube, that are coupled both directly via the inter-atomic dipole-dipole interactions and indirectly by means of the virtual exchange by resonance plasmon excitations on the nanotube surface. We analyze how the optical preparation of the system by using strong laser pulses affects the formation and evolution of the bipartite atomic entanglement. Despite a large number of possible excitation regimes and evolution pathways, we find a few generic scenarios for the bipartite entanglement evolution and formulate practical recommendations on how to optimize and control the robust bipartite atomic entanglement in hybrid carbon nanotube systems.

  19. A nine-atom rhodium-aluminum oxide cluster oxidizes five carbon monoxide molecules.

    PubMed

    Li, Xiao-Na; Zhang, Hua-Min; Yuan, Zhen; He, Sheng-Gui

    2016-01-01

    Noble metals can promote the direct participation of lattice oxygen of very stable oxide materials such as aluminum oxide, to oxidize reactant molecules, while the fundamental mechanism of noble metal catalysis is elusive. Here we report that a single atom of rhodium, a powerful noble metal catalyst, can promote the transfer of five oxygen atoms to oxidize carbon monoxide from a nine-atom rhodium-aluminum oxide cluster. This is a sharp improvement in the field of cluster science where the transfer of at most two oxygen atoms from a doped cluster is more commonly observed. Rhodium functions not only as the preferred trapping site to anchor and oxidize carbon monoxide by the oxygen atoms in direct connection with rhodium but also the primarily oxidative centre to accumulate the large amounts of electrons and the polarity of rhodium is ultimately transformed from positive to negative. PMID:27094921

  20. A nine-atom rhodium–aluminum oxide cluster oxidizes five carbon monoxide molecules

    PubMed Central

    Li, Xiao-Na; Zhang, Hua-Min; Yuan, Zhen; He, Sheng-Gui

    2016-01-01

    Noble metals can promote the direct participation of lattice oxygen of very stable oxide materials such as aluminum oxide, to oxidize reactant molecules, while the fundamental mechanism of noble metal catalysis is elusive. Here we report that a single atom of rhodium, a powerful noble metal catalyst, can promote the transfer of five oxygen atoms to oxidize carbon monoxide from a nine-atom rhodium–aluminum oxide cluster. This is a sharp improvement in the field of cluster science where the transfer of at most two oxygen atoms from a doped cluster is more commonly observed. Rhodium functions not only as the preferred trapping site to anchor and oxidize carbon monoxide by the oxygen atoms in direct connection with rhodium but also the primarily oxidative centre to accumulate the large amounts of electrons and the polarity of rhodium is ultimately transformed from positive to negative. PMID:27094921

  1. Direct chemical conversion of graphene to boron- and nitrogen- and carbon-containing atomic layers

    NASA Astrophysics Data System (ADS)

    Gong, Yongji; Shi, Gang; Zhang, Zhuhua; Zhou, Wu; Jung, Jeil; Gao, Weilu; Ma, Lulu; Yang, Yang; Yang, Shubin; You, Ge; Vajtai, Robert; Xu, Qianfan; MacDonald, Allan H.; Yakobson, Boris I.; Lou, Jun; Liu, Zheng; Ajayan, Pulickel M.

    2014-01-01

    Graphene and hexagonal boron nitride are typical conductor and insulator, respectively, while their hybrids hexagonal boron carbonitride are promising as a semiconductor. Here we demonstrate a direct chemical conversion reaction, which systematically converts the hexagonal carbon lattice of graphene to boron nitride, making it possible to produce uniform boron nitride and boron carbonitride structures without disrupting the structural integrity of the original graphene templates. We synthesize high-quality atomic layer films with boron-, nitrogen- and carbon-containing atomic layers with full range of compositions. Using this approach, the electrical resistance, carrier mobilities and bandgaps of these atomic layers can be tuned from conductor to semiconductor to insulator. Combining this technique with lithography, local conversion could be realized at the nanometre scale, enabling the fabrication of in-plane atomic layer structures consisting of graphene, boron nitride and boron carbonitride. This is a step towards scalable synthesis of atomically thin two-dimensional integrated circuits.

  2. Diamond like carbon coatings: Categorization by atomic number density

    NASA Technical Reports Server (NTRS)

    Angus, John C.

    1986-01-01

    Dense diamond-like hydrocarbon films grown at the NASA Lewis Research Center by radio frequency self bias discharge and by direct ion beam deposition were studied. A new method for categorizing hydrocarbons based on their atomic number density and elemental composition was developed and applied to the diamond-like hydrocarbon films. It was shown that the diamond-like hydrocarbon films are an entirely new class of hydrocarbons with atomic number densities lying between those of single crystal diamond and adamantanes. In addition, a major review article on these new materials was completed in cooperation with NASA Lewis Research Center personnel.

  3. Strain-induced metal–semiconductor transition observed in atomic carbon chains

    PubMed Central

    La Torre, A.; Botello-Mendez, A.; Baaziz, W.; Charlier, J. -C.; Banhart, F.

    2015-01-01

    Carbyne, the sp1-hybridized phase of carbon, is still a missing link in the family of carbon allotropes. While the bulk phases of carbyne remain elusive, the elementary constituents, that is, linear chains of carbon atoms, have already been observed using the electron microscope. Isolated atomic chains are highly interesting one-dimensional conductors that have stimulated considerable theoretical work. Experimental information, however, is still very limited. Here we show electrical measurements and first-principles transport calculations on monoatomic carbon chains. When the 1D system is under strain, the chains are semiconducting corresponding to the polyyne structure with alternating bond lengths. Conversely, when the chain is unstrained, the ohmic behaviour of metallic cumulene with uniform bond lengths is observed. This confirms the recent prediction of a metal–insulator transition that is induced by strain. The key role of the contacting leads explains the rectifying behaviour measured in monoatomic carbon chains in a nonsymmetric contact configuration. PMID:25818506

  4. Molecular dynamics simulation for arrangement of nickel atoms filled in carbon nanotubes

    SciTech Connect

    Bai, Liu Zhenyu, Zhao; Lirui, Liu

    2014-08-28

    Carbon Nanotubes (CNTs) filled with metals can be used in capacitors, sensors, rechargeable batteries, and so on. Atomic arrangement of the metals has an important role in the function of the composites. The tips of CNTs were opened, and then nickel was filled by means of hydrothermal oxidation/ultrasonic vibration method. The tests of TEM, HREM, and EDX (energy-dispersive X-ray spectroscopy) analysis showed that Ni was filled in CNTs successfully. The atomic arrangement of nickel filled into single wall carbon nanotubes was investigated by molecular dynamics simulation. The radial distribution function and bond orientation order were established to analyze the atomic arrangement of nickel filled in carbon nanotubes during the cooling process. The results show that nickel atoms became in order gradually and preferably crystallized on the inner wall of carbon nanotubes when the temperature decreased from 1600 K. After it cooled to 100 K, the arrangement of nickel atoms in outermost circle was regular and dense, but there were many defects far from the wall of CNTs. According to the calculation of bond orientation order parameters Q{sub 6} and its visualization, the structure of nickel is Face-centered cube (f.c.c). (1,1,1){sub Ni} was close on the inner surface of carbon nanotubes. Radial direction of CNTs was [1,1,1] crystal orientation. Axial direction of CNTs, namely, filling direction, was [1{sup ¯}, 1{sup ¯},2] crystal orientation.

  5. Molecular dynamics simulation for arrangement of nickel atoms filled in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Bai, Liu; Lirui, Liu; Zhenyu, Zhao

    2014-08-01

    Carbon Nanotubes (CNTs) filled with metals can be used in capacitors, sensors, rechargeable batteries, and so on. Atomic arrangement of the metals has an important role in the function of the composites. The tips of CNTs were opened, and then nickel was filled by means of hydrothermal oxidation/ultrasonic vibration method. The tests of TEM, HREM, and EDX (energy-dispersive X-ray spectroscopy) analysis showed that Ni was filled in CNTs successfully. The atomic arrangement of nickel filled into single wall carbon nanotubes was investigated by molecular dynamics simulation. The radial distribution function and bond orientation order were established to analyze the atomic arrangement of nickel filled in carbon nanotubes during the cooling process. The results show that nickel atoms became in order gradually and preferably crystallized on the inner wall of carbon nanotubes when the temperature decreased from 1600 K. After it cooled to 100 K, the arrangement of nickel atoms in outermost circle was regular and dense, but there were many defects far from the wall of CNTs. According to the calculation of bond orientation order parameters Q6 and its visualization, the structure of nickel is Face-centered cube (f.c.c). (1,1,1)Ni was close on the inner surface of carbon nanotubes. Radial direction of CNTs was [1,1,1] crystal orientation. Axial direction of CNTs, namely, filling direction, was [1¯, 1¯,2] crystal orientation.

  6. Design-atom approach for the QM/MM covalent boundary: A design-carbon atom with five valence electrons

    PubMed Central

    Xiao, Chuanyun; Zhang, Yingkai

    2009-01-01

    A critical issue underlying the accuracy and applicability of the combined quantum mechanical/molecular mechanical (QM/MM) methods is how to describe the QM/MM boundary across covalent bonds. Inspired by the ab initio pseudo-potential theory, here we introduce a novel design-atom approach for a more fundamental and transparent treatment of this QM/MM covalent boundary problem. The main idea is to replace the boundary atom of the active part with a design-atom, which has a different number of valence electrons but very similar atomic properties. By modifying the Troullier-Martins scheme, which has been widely employed to construct norm-conserving pseudo-potentials for density functional calculations, we have successfully developed a design-carbon atom with five valence electrons. Tests on a series of molecules yield very good structural and energetic results, and indicate its transferability in describing a variety of chemical bonds, including double and triple bonds. PMID:17902888

  7. Integrating Carbon Nanotubes For Atomic Force Microscopy Imaging Applications

    NASA Technical Reports Server (NTRS)

    Ye, Qi; Cassell, Alan M.; Liu, Hongbing; Han, Jie; Meyyappan, Meyya

    2004-01-01

    Carbon nanotube (CNT) related nanostructures possess remarkable electrical, mechanical, and thermal properties. To produce these nanostructures for real world applications, a large-scale controlled growth of carbon nanotubes is crucial for the integration and fabrication of nanodevices and nanosensors. We have taken the approach of integrating nanopatterning and nanomaterials synthesis with traditional silicon micro fabrication techniques. This integration requires a catalyst or nanomaterial protection scheme. In this paper, we report our recent work on fabricating wafer-scale carbon nanotube AFM cantilever probe tips. We will address the design and fabrication considerations in detail, and present the preliminary scanning probe test results. This work may serve as an example of rational design, fabrication, and integration of nanomaterials for advanced nanodevice and nanosensor applications.

  8. Atomic migration of carbon in hard turned layers of carburized bearing steel

    SciTech Connect

    Bedekar, Vikram; Poplawsky, Jonathan D.; Guo, Wei; Shivpuri, Rajiv; Scott Hyde, R.

    2016-01-01

    In grain finement and non-equilibrium there is carbon segregation within grain boundaries alters the mechanical performance of hard turning layers in carburized bearing steel. Moreover, an atom probe tomography (APT) study on the nanostructured hard turning layers reveals carbon migration to grain boundaries as a result of carbide decomposition during severe plastic deformation. In addition, samples exposed to different cutting speeds show that the carbon migration rate increases with the cutting speed. For these two effects lead to an ultrafine carbon network structure resulting in increased hardness and thermal stability in the severely deformed surface layer.

  9. Anode wire aging tests with selected gases

    SciTech Connect

    Kadyk, J.; Wise, J.; Hess, D.; Williams, M. )

    1990-04-01

    As a continuation of earlier wire aging investigations, additional candidates for wire chamber gas and wire have been tested. These include the gases: argon/ethane, HRS gas, dimethyl ether, carbon dioxide/ethane, and carbon tetrafluoride/isobutane. Wires used were: gold- plated tungsten, Stablohm, Nicotin, and Stainless Steel. Measurements were made of the effects upon wire aging of impurities from plumbing materials or contamination from various types of oil. Attempts were made to induce wire aging by adding measured amounts of oxygen and halogen (methyl chloride) with negative results. In this paper, the possible role of electronegativity in the wire aging process is discussed, and measurements of electronegativity are made with several single carbon Freons, using both an electron capture detector and a wire chamber operating with dimethyl ether.

  10. Ultra-low-temperature Reactions of Carbon Atoms with Hydrogen Molecules

    NASA Astrophysics Data System (ADS)

    Krasnokutski, S. A.; Kuhn, M.; Renzler, M.; Jäger, C.; Henning, Th.; Scheier, P.

    2016-02-01

    The reactions of carbon atoms with dihydrogen have been investigated in liquid helium droplets at T = 0.37 K. A calorimetric technique was applied to monitor the energy released in the reaction. The barrierless reaction between a single carbon atom and a single dihydrogen molecule was detected. Reactions between dihydrogen clusters and carbon atoms have been studied by high-resolution mass spectrometry. The formation of hydrocarbon cations of the type {{{C}}}m{{{{H}}}n}+ with m = 1-4 and n = 1-15 was observed. With enhanced concentration of dihydrogen, the mass spectra demonstrated the main “magic” peak assigned to the {{{CH}}5}+ cation. A simple formation pathway and the high stability of this cation suggest its high abundance in the interstellar medium.

  11. Synthesis of novel amorphous calcium carbonate by sono atomization for reactive mixing.

    PubMed

    Kojima, Yoshiyuki; Kanai, Makoto; Nishimiya, Nobuyuki

    2012-03-01

    Droplets of several micrometers in size can be formed in aqueous solution by atomization under ultrasonic irradiation at 2 MHz. This phenomenon, known as atomization, is capable of forming fine droplets for use as a reaction field. This synthetic method is called SARM (sono atomization for reactive mixing). This paper reports on the synthesis of a novel amorphous calcium carbonate formed by SARM. The amorphous calcium carbonate, obtained at a solution concentration of 0.8 mol/dm(3), had a specific surface area of 65 m(2)/g and a composition of CaCO(3)•0.5H(2)O as determined using thermogravimetric/differential thermal analysis (TG-DTA). Because the ACC had a lower hydrate composition than conventional amorphous calcium carbonate (ACC), the ACC synthesized in this paper was very stable at room temperature. PMID:21788149

  12. Atomic structure and dynamic behaviour of truly one-dimensional ionic chains inside carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Senga, Ryosuke; Komsa, Hannu-Pekka; Liu, Zheng; Hirose-Takai, Kaori; Krasheninnikov, Arkady V.; Suenaga, Kazu

    2014-11-01

    Materials with reduced dimensionality have attracted much interest in various fields of fundamental and applied science. True one-dimensional (1D) crystals with single-atom thickness have been realized only for few elemental metals (Au, Ag) or carbon, all of which showed very short lifetimes under ambient conditions. We demonstrate here a successful synthesis of stable 1D ionic crystals in which two chemical elements, one being a cation and the other an anion, align alternately inside carbon nanotubes. Unusual dynamical behaviours for different atoms in the 1D lattice are experimentally corroborated and suggest substantial interactions of the atoms with the nanotube sheath. Our theoretical studies indicate that the 1D ionic crystals have optical properties distinct from those of their bulk counterparts and that the properties can be engineered by introducing atomic defects into the chains.

  13. Carbon nanotube synthesis: from large-scale production to atom-by-atom growth.

    PubMed

    Journet, Catherine; Picher, Matthieu; Jourdain, Vincent

    2012-04-13

    The extraordinary electronic, thermal and mechanical properties of carbon nanotubes (CNTs) closely relate to their structure. They can be seen as rolled-up graphene sheets with their electronic properties depending on how this rolling up is achieved. However, this is not the way they actually grow. Various methods are used to produce carbon nanotubes. They all have in common three ingredients: (i) a carbon source, (ii) catalyst nanoparticles and (iii) an energy input. In the case where the carbon source is provided in solid form, one speaks about 'high temperature methods' because they involve the sublimation of graphite which does not occur below 3200 °C. The first CNTs were synthesized by these techniques. For liquid or gaseous phases, the generic term of 'medium or low temperature methods' is used. CNTs are now commonly produced by these latter techniques at temperatures ranging between 350 and 1000 °C, using metal nanoparticles that catalyze the decomposition of the gaseous carbon precursor and make the growth of nanotubes possible. The aim of this review article is to give a general overview of all these methods and an understanding of the CNT growth process. PMID:22433510

  14. Carbon nanotube synthesis: from large-scale production to atom-by-atom growth

    NASA Astrophysics Data System (ADS)

    Journet, Catherine; Picher, Matthieu; Jourdain, Vincent

    2012-04-01

    The extraordinary electronic, thermal and mechanical properties of carbon nanotubes (CNTs) closely relate to their structure. They can be seen as rolled-up graphene sheets with their electronic properties depending on how this rolling up is achieved. However, this is not the way they actually grow. Various methods are used to produce carbon nanotubes. They all have in common three ingredients: (i) a carbon source, (ii) catalyst nanoparticles and (iii) an energy input. In the case where the carbon source is provided in solid form, one speaks about ‘high temperature methods’ because they involve the sublimation of graphite which does not occur below 3200 °C. The first CNTs were synthesized by these techniques. For liquid or gaseous phases, the generic term of ‘medium or low temperature methods’ is used. CNTs are now commonly produced by these latter techniques at temperatures ranging between 350 and 1000 °C, using metal nanoparticles that catalyze the decomposition of the gaseous carbon precursor and make the growth of nanotubes possible. The aim of this review article is to give a general overview of all these methods and an understanding of the CNT growth process.

  15. Designing potentials by sculpturing wires

    SciTech Connect

    Della Pietra, Leonardo; Aigner, Simon; Groth, Soenke; Hagen, Christoph von; Schmiedmayer, Joerg; Bar-Joseph, Israel; Lezec, Henri J.

    2007-06-15

    Magnetic trapping potentials for atoms on atom chips are determined by the current flow in the chip wires. By modifying the shape of the conductor we can realize specialized current flow patterns and therefore microdesign the trapping potentials. We have demonstrated this by nano-machining an atom chip using the focused ion beam technique. We built a trap, a barrier, and using a Bose-Einstein Condensate as a probe we showed that by polishing the conductor edge the potential roughness on the selected wire can be reduced. Furthermore, we give different other designs and discuss the creation of a one-dimensional magnetic lattice on an atom chip.

  16. Catalytic conversion of alcohols having at least three carbon atoms to hydrocarbon blendstock

    DOEpatents

    Narula, Chaitanya K.; Davison, Brian H.

    2015-11-13

    A method for producing a hydrocarbon blendstock, the method comprising contacting at least one saturated acyclic alcohol having at least three and up to ten carbon atoms with a metal-loaded zeolite catalyst at a temperature of at least 100°C and up to 550°C, wherein the metal is a positively-charged metal ion, and the metal-loaded zeolite catalyst is catalytically active for converting the alcohol to the hydrocarbon blendstock, wherein the method directly produces a hydrocarbon blendstock having less than 1 vol % ethylene and at least 35 vol % of hydrocarbon compounds containing at least eight carbon atoms.

  17. Determination of cadmium in the livers and kidneys of puffins by carbon furnace atomic absorption spectrometry.

    PubMed

    Ottaway, J M; Campbell, W C

    1976-01-01

    A carbon furnace atomic absorption procedure is described for the determination of cadmium in the livers and kidneys of puffins, fratercula arctica. Samples are dried and weighed and 2 to 100 mg are dissolved in sulphuric and nitric acids. These solutions are analysed directly in the carbon furnace against aqueous standards and provide accurate results in the range 0-1 to 100 micrograms/g dry weight. The method is simple and rapid and requires much less of the small total sample than would be required for flame atomic absorption. PMID:1030692

  18. Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis.

    PubMed

    Fan, Lili; Liu, Peng Fei; Yan, Xuecheng; Gu, Lin; Yang, Zhen Zhong; Yang, Hua Gui; Qiu, Shilun; Yao, Xiangdong

    2016-01-01

    Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel-carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm(-2) and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis. PMID:26861684

  19. Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis

    NASA Astrophysics Data System (ADS)

    Fan, Lili; Liu, Peng Fei; Yan, Xuecheng; Gu, Lin; Yang, Zhen Zhong; Yang, Hua Gui; Qiu, Shilun; Yao, Xiangdong

    2016-02-01

    Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel-carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm-2 and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis.

  20. Atomically isolated nickel species anchored on graphitized carbon for efficient hydrogen evolution electrocatalysis

    PubMed Central

    Fan, Lili; Liu, Peng Fei; Yan, Xuecheng; Gu, Lin; Yang, Zhen Zhong; Yang, Hua Gui; Qiu, Shilun; Yao, Xiangdong

    2016-01-01

    Hydrogen production through electrochemical process is at the heart of key renewable energy technologies including water splitting and hydrogen fuel cells. Despite tremendous efforts, exploring cheap, efficient and durable electrocatalysts for hydrogen evolution still remains as a great challenge. Here we synthesize a nickel–carbon-based catalyst, from carbonization of metal-organic frameworks, to replace currently best-known platinum-based materials for electrocatalytic hydrogen evolution. This nickel-carbon-based catalyst can be activated to obtain isolated nickel atoms on the graphitic carbon support when applying electrochemical potential, exhibiting highly efficient hydrogen evolution performance with high exchange current density of 1.2 mA cm−2 and impressive durability. This work may enable new opportunities for designing and tuning properties of electrocatalysts at atomic scale for large-scale water electrolysis. PMID:26861684

  1. Atom-scale insights into carbonate organic-mineral interfaces

    NASA Astrophysics Data System (ADS)

    Branson, O.; Perea, D. E.; Spero, H. J.; Winters, M. A.; Gagnon, A.

    2015-12-01

    Biominerals are formed by the complex interaction between guiding biological structures and the kinetics of inorganic mineral growth. Inorganic crystal growth experiments have advanced our understanding of mineral precipitation in the context of biological systems, but the structure and chemistry of the mineralizing interface between these two systems has remained elusive. We have used laser-pulsed Atom Probe Tomography to reveal the first atom-scale 3D view of an organic-mineral interface in calcite produced by the planktic foraminifera Orbulina universa. We observe elevated Na and Mg throughout the organic, and a 9-fold increase in Na in the surface 2 nm of the organic layer, relative to the adjacent calcite. The surface-specificity of this Na maximum suggests that Na may play an integral role in conditioning the organic layer for calcite nucleation. Na could accomplish this by modifying surface hydration or structure, to modify organic-fluid and/or organic-calcite interfacial energies. Our data constitute the first evidence of the role of 'spectator' ions in facilitating biomineralisation, which could be an overlooked but crucial aspect of the initial steps of skeleton formation in calcifying organisms.

  2. Single Pd atoms in activated carbon fibers and their contribution to hydrogen storage

    SciTech Connect

    Contescu, Cristian I; van Benthem, Klaus; Li, Sa; Bonifacio, Cecile S; Pennycook, Stephen J; Jena, Puru; Gallego, Nidia C

    2011-01-01

    Palladium-modified activated carbon fibers (Pd-ACF) were synthesized by meltspinning, carbonization and activation of an isotropic pitch carbon precursor premixed with an organometallic Pd compound. The hydrogen uptake at 25 oC and 20 bar on Pd- ACF exceeded the expected capacity based solely on Pd hydride formation and hydrogen physisorption on the microporous carbon support. Aberration-corrected scanning transmission electron microscopy (STEM) with sub- ngstrom spatial resolution provided unambiguous identification of isolated Pd atoms occurring in the carbon matrix that coexist with larger Pd particles. First principles calculations revealed that each single Pd atom can form Kubas-type complexes by binding up to three H2 molecules in the pressure range of adsorption measurements. Based on Pd atom concentration determined from STEM images, the contribution of various mechanisms to the excess hydrogen uptake measured experimentally was evaluated. With consideration of Kubas binding as a viable mechanism (along with hydride formation and physisorption to carbon support) the role of hydrogen spillover in this system may be smaller than previously thought.

  3. Residential Wiring.

    ERIC Educational Resources Information Center

    Taylor, Mark

    The second in a series of three curriculum packages on wiring, these materials for a five-unit course were developed to prepare postsecondary students for entry-level employment in the residential wiring trade. The five units are: (1) blueprint reading and load calculations; (2) rough-in; (3) service; (4) trim out and troubleshooting; and (5) load…

  4. Wire chamber

    DOEpatents

    Atac, Muzaffer

    1989-01-01

    A wire chamber or proportional counter device, such as Geiger-Mueller tube or drift chamber, improved with a gas mixture providing a stable drift velocity while eliminating wire aging caused by prior art gas mixtures. The new gas mixture is comprised of equal parts argon and ethane gas and having approximately 0.25% isopropyl alcohol vapor.

  5. Atomic data for opacity calculations. XI - The carbon isoelectronic sequence

    NASA Technical Reports Server (NTRS)

    Luo, D.; Pradhan, A. K.

    1989-01-01

    Close-coupling calculations are carried out for radiative processes in neutral carbon and a number of carbon-like ions; energy levels, oscillator strengths, and photoionization cross sections have been computed for all bound states of the type 2 s(j)2p(k)nl with n not above 10 and 1 not above 3. The R-matrix method is employed to solve the coupled equations with a ten-state eigenfunction expansion for the parent ion C II and an eight-state expansion for the other boron-like target ions. A number of selected results for oscillator strengths are presented and compared with earlier data, as well as for photoionization cross sections with autoionizing resonance structures. Isoelectronic trends are discussed. The present results for the oscillator strengths of C I and N II are found to differ significantly from some earlier theoretical works for a number of transitions. However, the present C I f values are in excellent agreement with recent calculations and experimental results.

  6. Atom Vacancies on a Carbon Nanotube: To What Extent Can We Simulate their Effects?

    PubMed

    Kroes, Jaap M H; Pietrucci, Fabio; van Duin, Adri C T; Andreoni, Wanda

    2015-07-14

    Atom vacancies are intrinsic defects of carbon nanotubes. Using a zigzag nanotube as reference, this paper focuses on the comparison of calculations performed within density functional theory and a number of classical force fields widely used for carbon systems. The results refer to single and double vacancies and, in particular, to the induced structural changes, the formation energies, and the energy barriers relative to elementary processes such as reconstruction, migration, and coalescence. Characterization of these processes is remarkably different in the different approaches. These findings are meant to contribute to the construction of DFT-based classical schemes for carbon nanostructures. PMID:26575773

  7. ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN

    SciTech Connect

    M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

    2000-08-01

    Fossil fuels, especially coal, can support the energy demands of the world for centuries to come, if the environmental problems associated with CO{sub 2} emissions can be overcome. Permanent and safe methods for CO{sub 2} capture and disposal/storage need to be developed. Mineralization of stationary-source CO{sub 2} emissions as carbonates can provide such safe capture and long-term sequestration. Mg-rich lamellar-hydroxide based minerals (e.g., brucite and serpentine) offer a class of widely available, low-cost materials, with intriguing mineral carbonation potential. Carbonation of such materials inherently involves dehydroxylation, which can disrupt the material down to the atomic level. As such, controlled dehydroxylation before and/or during carbonation may provide an important parameter for enhancing carbonation reaction processes. Mg(OH){sub 2} was chosen as the model material for investigating lamellar hydroxide mineral dehydroxylation/carbonation mechanisms due to (i) its structural and chemical simplicity, (ii) interest in Mg(OH){sub 2} gas-solid carbonation as a potentially cost-effective CO{sub 2} mineral sequestration process component, and (iii) its structural and chemical similarity to other lamellar-hydroxide-based minerals (e.g., serpentine-based minerals) whose carbonation reaction processes are being explored due to their low-cost CO{sub 2} sequestration potential. Fundamental understanding of the mechanisms that govern dehydroxylation/carbonation processes is essential for cost optimization of any lamellar-hydroxide-based mineral carbonation sequestration process.

  8. Migration behaviour of carbon atoms on clean diamond (0 0 1) surface: A first principle study

    NASA Astrophysics Data System (ADS)

    Liu, Xuejie; Xia, Qing; Li, Wenjuan; Luo, Hao; Ren, Yuan; Tan, Xin; Sun, Shiyang

    2016-01-01

    The adsorption and migration energies of a single carbon atom and the configuration evolution energies of two carbon atoms on a clean diamond (0 0 1) surface were calculated using the first principle method based on density functional theory to investigate the formation of ultra-nanocrystalline diamond (UNCD) film. The activation energy of a single atom diffusing along a dimer row is 1.96 eV, which is almost the same as that of a CH2 migrating along a dimer row under hydrogen-rich conditions. However, the activation energy of a single atom diffusing along a dimer chain is 2.66 eV, which is approximately 1.55 times greater than that of a CH2 migrating along a dimer chain in a hydrogen-rich environment. The configuration evolution of the two carbon atoms is almost impossible at common diamond film deposition temperatures (700-900 °C) because the activation energies reach 4.46 or 5.90 eV. Therefore, the high-energy barrier could result in insufficient migration of adatoms, leading to the formation of amorphous in UNCD films in hydrogen-poor CVD environment.

  9. The Reception of J. H. van't Hoff's Theory of the Asymmetric Carbon Atom

    ERIC Educational Resources Information Center

    Snelders, H. A. M.

    1974-01-01

    Discusses Jacobus Henricus van't Hoff's revolutionary theory of the asymmetric carbon atom and its early reception among his contemporaries in the Netherlands. Indicates that the extension of the new idea to practical problems gives the impetus to the development of stereochemistry. (CC)

  10. Atomic scale observation of oxygen delivery during silver-oxygen nanoparticle catalysed oxidation of carbon nanotubes.

    PubMed

    Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

    2016-01-01

    To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars-van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes. PMID:27406595

  11. Atomic scale observation of oxygen delivery during silver-oxygen nanoparticle catalysed oxidation of carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

    2016-07-01

    To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars-van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes.

  12. Atomic scale observation of oxygen delivery during silver–oxygen nanoparticle catalysed oxidation of carbon nanotubes

    PubMed Central

    Yue, Yonghai; Yuchi, Datong; Guan, Pengfei; Xu, Jia; Guo, Lin; Liu, Jingyue

    2016-01-01

    To probe the nature of metal-catalysed processes and to design better metal-based catalysts, atomic scale understanding of catalytic processes is highly desirable. Here we use aberration-corrected environmental transmission electron microscopy to investigate the atomic scale processes of silver-based nanoparticles, which catalyse the oxidation of multi-wall carbon nanotubes. A direct semi-quantitative estimate of the oxidized carbon atoms by silver-based nanoparticles is achieved. A mechanism similar to the Mars–van Krevelen process is invoked to explain the catalytic oxidation process. Theoretical calculations, together with the experimental data, suggest that the oxygen molecules dissociate on the surface of silver nanoparticles and diffuse through the silver nanoparticles to reach the silver/carbon interfaces and subsequently oxidize the carbon. The lattice distortion caused by oxygen concentration gradient within the silver nanoparticles provides the direct evidence for oxygen diffusion. Such direct observation of atomic scale dynamics provides an important general methodology for investigations of catalytic processes. PMID:27406595

  13. Reactions of the inner surface of carbon nanotubes and nanoprotrusion processes imaged at the atomic scale

    NASA Astrophysics Data System (ADS)

    Chamberlain, Thomas W.; Meyer, Jannik C.; Biskupek, Johannes; Leschner, Jens; Santana, Adriano; Besley, Nicholas A.; Bichoutskaia, Elena; Kaiser, Ute; Khlobystov, Andrei N.

    2011-09-01

    Although the outer surface of single-walled carbon nanotubes (atomically thin cylinders of carbon) can be involved in a wide range of chemical reactions, it is generally thought that the interior surface of nanotubes is unreactive. In this study, we show that in the presence of catalytically active atoms of rhenium inserted into nanotubes, the nanotube sidewall can be engaged in chemical reactions from the inside. Aberration-corrected high-resolution transmission electron microscopy operated at 80 keV allows visualization of the formation of nanometre-sized hollow protrusions on the nanotube sidewall at the atomic level in real time at ambient temperature. Our direct observations and theoretical modelling demonstrate that the nanoprotrusions are formed in three stages: (i) metal-assisted deformation and rupture of the nanotube sidewall, (ii) the fast formation of a metastable asymmetric nanoprotrusion with an open edge and (iii) a slow symmetrization process that leads to a stable closed nanoprotrusion.

  14. Reactions of the inner surface of carbon nanotubes and nanoprotrusion processes imaged at the atomic scale.

    PubMed

    Chamberlain, Thomas W; Meyer, Jannik C; Biskupek, Johannes; Leschner, Jens; Santana, Adriano; Besley, Nicholas A; Bichoutskaia, Elena; Kaiser, Ute; Khlobystov, Andrei N

    2011-09-01

    Although the outer surface of single-walled carbon nanotubes (atomically thin cylinders of carbon) can be involved in a wide range of chemical reactions, it is generally thought that the interior surface of nanotubes is unreactive. In this study, we show that in the presence of catalytically active atoms of rhenium inserted into nanotubes, the nanotube sidewall can be engaged in chemical reactions from the inside. Aberration-corrected high-resolution transmission electron microscopy operated at 80 keV allows visualization of the formation of nanometre-sized hollow protrusions on the nanotube sidewall at the atomic level in real time at ambient temperature. Our direct observations and theoretical modelling demonstrate that the nanoprotrusions are formed in three stages: (i) metal-assisted deformation and rupture of the nanotube sidewall, (ii) the fast formation of a metastable asymmetric nanoprotrusion with an open edge and (iii) a slow symmetrization process that leads to a stable closed nanoprotrusion. PMID:21860464

  15. Atomic-scale imaging of albite feldspar, calcium carbonate, rectorite, and bentonite using atomic-force microscopy

    NASA Astrophysics Data System (ADS)

    Drake, Barney; Hellmann, Roland; Sikes, C. Steven; Occelli, Mario L.

    1992-05-01

    Atomic force microscopy (AFM) was used to investigate the (010) surface of Amelia albite, the basal and (001) planes of CaCO3 (calcite), and the basal planes of rectorite and bentonite. Atomic scale images of the albite surface show six sided, interconnected en-echelon rings. Fourier transforms of the surface scans reveal two primary nearest neighbor distances of 4.7 and 4.9 +/- 0.5 angstroms. Analysis of the images using a 6 angstroms thick projection of the bulk structure was performed. Close agreement between the projection and the images suggests the surface is very close to an ideal termination of the bulk structure. Images of the calcite basal plane show a hexagonal array of Ca atoms measured to within +/- 0.3 angstroms of the 4.99 angstroms predicted by x-ray diffraction data. Putative images of the (001) plane of carbonate ions, with hexagonal 5 angstroms spacing, are also presented and discussed. Basal plane images of rectorite show hexagonal symmetry with 9.1 +/- 2.5 angstroms spacing, while bentonite results reveal a 4.9 +/- 0.5 angstroms nearest neighbor spacing.

  16. Spatial Distributions of Metal Atoms During Carbon SWNTs Formation: Measurements and Modelling

    NASA Technical Reports Server (NTRS)

    Cau, M.; Dorval, N.; Attal-Tretout, B.; Cochon, J. L.; Loiseau, A.; Farhat, S.; Hinkov, I.; Scott, C. D.

    2004-01-01

    Experiments and modelling have been undertaken to clarify the role of metal catalysts during single-wall carbon nanotube formation. For instance, we wonder whether the metal catalyst is active as an atom, a cluster, a liquid or solid nanoparticle [1]. A reactor has been developed for synthesis by continuous CO2-laser vaporisation of a carbon-nickel-cobalt target in laminar helium flow. The laser induced fluorescence technique [2] is applied for local probing of gaseous Ni, Co and CZ species throughout the hot carbon flow of the target heated up to 3500 K. A rapid depletion of C2 in contrast to the spatial extent of metal atoms is observed in the plume (Fig. 1). This asserts that C2 condenses earlier than Ni and Co atoms.[3, 4]. The depletion is even faster when catalysts are present. It may indicate that an interaction between metal atoms and carbon dimers takes place in the gas as soon as they are expelled from the target surface. Two methods of modelling are used: a spatially I-D calculation developed originally for the arc process [5], and a zero-D time dependent calculation, solving the chemical kinetics along the streamlines [6]. The latter includes Ni cluster formation. The peak of C2 density is calculated close to the target surface where the temperature is the highest. In the hot region, C; is dominant. As the carbon products move away from the target and mix with the ambient helium, they recombine into larger clusters, as demonstrated by the peak of C5 density around 1 mm. The profile of Ni-atom density compares fairly well with the measured one (Fig. 2). The early increase is due to the drop of temperature, and the final decrease beyond 6 mm results from Ni cluster formation at the eutectic temperature (approx.1600 K).

  17. Bias in bonding behavior among boron, carbon, and nitrogen atoms in ion implanted a-BN, a-BC, and diamond like carbon films

    SciTech Connect

    Genisel, Mustafa Fatih; Uddin, Md. Nizam; Say, Zafer; Bengu, Erman; Kulakci, Mustafa; Turan, Rasit; Gulseren, Oguz

    2011-10-01

    In this study, we implanted N{sup +} and N{sub 2}{sup +} ions into sputter deposited amorphous boron carbide (a-BC) and diamond like carbon (DLC) thin films in an effort to understand the chemical bonding involved and investigate possible phase separation routes in boron carbon nitride (BCN) films. In addition, we investigated the effect of implanted C{sup +} ions in sputter deposited amorphous boron nitride (a-BN) films. Implanted ion energies for all ion species were set at 40 KeV. Implanted films were then analyzed using x-ray photoelectron spectroscopy (XPS). The changes in the chemical composition and bonding chemistry due to ion-implantation were examined at different depths of the films using sequential ion-beam etching and high resolution XPS analysis cycles. A comparative analysis has been made with the results from sputter deposited BCN films suggesting that implanted nitrogen and carbon atoms behaved very similar to nitrogen and carbon atoms in sputter deposited BCN films. We found that implanted nitrogen atoms would prefer bonding to carbon atoms in the films only if there is no boron atom in the vicinity or after all available boron atoms have been saturated with nitrogen. Implanted carbon atoms also preferred to either bond with available boron atoms or, more likely bonded with other implanted carbon atoms. These results were also supported by ab-initio density functional theory calculations which indicated that carbon-carbon bonds were energetically preferable to carbon-boron and carbon-nitrogen bonds.

  18. 78 FR 28190 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Final Results of Antidumping Duty...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-14

    ... Certain Alloy Steel Wire Rod From Mexico, 67 FR 55800 (August 30, 2002). Notification to Importers This... Antidumping Duty Administrative Review; 2010- 2011, 77 FR 66954 (November 8, 2012) (Preliminary Results... Ukraine, 67 FR 65945 (October 29, 2002), remains dispositive. On October 1, 2012, the Department...

  19. 76 FR 33218 - Carbon and Certain Alloy Steel Wire Rod From Mexico: Initiation of Anti-Circumvention Inquiry of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-08

    ... and Tobago, and Ukraine, 67 FR 65945 (October 29, 2002) (Wire Rod Order). Alternatively, petitioners... Determination of Circumvention of the Antidumping Duty Order, 71 FR 32033, 32037 (June 2, 2006) (Wax Candles... Determination of Circumvention of the Anti- Dumping Duty Order, 71 FR 59076-59076 (October 6, 2006) (Wax...

  20. 78 FR 33103 - Carbon and Certain Alloy Steel Wire Rod From Brazil, Indonesia, Mexico, Moldova, Trinidad and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-03

    ... (``Commerce'') issued a countervailing duty order on imports of wire rod from Brazil (67 FR 64871). On October..., Mexico, Moldova, Trinidad and Tobago, and Ukraine (67 FR 65944-65947). Following the five-year reviews by..., Mexico, Moldova, Trinidad and Tobago, and Ukraine (73 FR 44218). The Commission is now conducting...

  1. Reaction studies of hot silicon, germanium and carbon atoms: Progress report, February 1, 1985-July 31, 1987

    SciTech Connect

    Gaspar, P.P.

    1987-08-01

    The experimental approach toward attaining the goals of this research program is briefly outlined, and the progress made in the 1985 to 1987 period is reviewed in sections entitled: (1) reactions of recoiling silicon atoms; (2) reactions of recoiling carbon atoms; and (3) reactions of thermally evaporated germanium atoms.

  2. Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina.

    PubMed

    Peterson, Eric J; DeLaRiva, Andrew T; Lin, Sen; Johnson, Ryan S; Guo, Hua; Miller, Jeffrey T; Hun Kwak, Ja; Peden, Charles H F; Kiefer, Boris; Allard, Lawrence F; Ribeiro, Fabio H; Datye, Abhaya K

    2014-01-01

    Catalysis by single isolated atoms of precious metals has attracted much recent interest, as it promises the ultimate in atom efficiency. Most previous reports are on reducible oxide supports. Here we show that isolated palladium atoms can be catalytically active on industrially relevant γ-alumina supports. The addition of lanthanum oxide to the alumina, long known for its ability to improve alumina stability, is found to also help in the stabilization of isolated palladium atoms. Aberration-corrected scanning transmission electron microscopy and operando X-ray absorption spectroscopy confirm the presence of intermingled palladium and lanthanum on the γ-alumina surface. Carbon monoxide oxidation reactivity measurements show onset of catalytic activity at 40 °C. The catalyst activity can be regenerated by oxidation at 700 °C in air. The high-temperature stability and regenerability of these ionic palladium species make this catalyst system of potential interest for low-temperature exhaust treatment catalysts. PMID:25222116

  3. Atoms in carbon cages as a source of interstellar diffuse lines

    NASA Technical Reports Server (NTRS)

    Ballester, J. L.; Antoniewicz, P. R.; Smoluchowski, R.

    1990-01-01

    A model to describe the resonance absorption lines of various atoms trapped in closed carbon cages is presented. These systems may be responsible for some of the as yet unexplained diffuse interstellar bands. Model potentials for possible atom-C60 systems are obtained and used to calculate the resonance lines. The trapped atoms considered are O, N, Si, Mg, Al, Na, and S, and in all cases the resonance lines are shifted toward the red as compared to the isolated atoms. The calculated wavelengths are compared to the range of wavelengths observed for the diffuse interstellar bands, and good agreement is found for Mg and Si resonance lines. Other lines may be caused by other than resonance transitions or by trapped molecules. The oscillator strengths and the abundances are evaluated and compared with observation. Mechanisms to explain the observed band width of the lines and the existence of certain correlated pairs of lines are discussed.

  4. Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina

    NASA Astrophysics Data System (ADS)

    Peterson, Eric J.; Delariva, Andrew T.; Lin, Sen; Johnson, Ryan S.; Guo, Hua; Miller, Jeffrey T.; Hun Kwak, Ja; Peden, Charles H. F.; Kiefer, Boris; Allard, Lawrence F.; Ribeiro, Fabio H.; Datye, Abhaya K.

    2014-09-01

    Catalysis by single isolated atoms of precious metals has attracted much recent interest, as it promises the ultimate in atom efficiency. Most previous reports are on reducible oxide supports. Here we show that isolated palladium atoms can be catalytically active on industrially relevant γ-alumina supports. The addition of lanthanum oxide to the alumina, long known for its ability to improve alumina stability, is found to also help in the stabilization of isolated palladium atoms. Aberration-corrected scanning transmission electron microscopy and operando X-ray absorption spectroscopy confirm the presence of intermingled palladium and lanthanum on the γ-alumina surface. Carbon monoxide oxidation reactivity measurements show onset of catalytic activity at 40 °C. The catalyst activity can be regenerated by oxidation at 700 °C in air. The high-temperature stability and regenerability of these ionic palladium species make this catalyst system of potential interest for low-temperature exhaust treatment catalysts.

  5. First principles study of foreign interstitial atom (carbon, nitrogen) interactions with intrinsic defects in tungsten

    NASA Astrophysics Data System (ADS)

    Kong, Xiang-Shan; You, Yu-Wei; Song, Chi; Fang, Q. F.; Chen, Jun-Ling; Luo, G.-N.; Liu, C. S.

    2012-11-01

    We performed a series of first-principles calculations to investigate the foreign interstitial atom (FIA) interactions with intrinsic defects in tungsten. We found the following: (i) The introduction of the FIA reduces the vacancy formation energy, resulting in the increase of the equilibrium concentration of vacancies. (ii) The positive binding energy between two FIAs suggests that the FIA can attract other FIAs. (iii) The FIA is easily trapped by the vacancy, and a single vacancy can accommodate up to 4 and 6 atoms in a stable manner for carbon and nitrogen, respectively. (iv) There is an attraction interaction between the FIA and the self-interstitial atom (SIA), and the FIA can reduce the SIA jump frequency and enhance the formation of SIA clusters in tungsten. Moreover, the difference between carbon and nitrogen are also discussed with respect to the formation of FIA-FIA covalent bond and the accumulation around the saturated -, where d is the ith nearest-neighbor (inn) solute-tungsten distance before relaxation and ▵di=(di-d) is the change in distance due to relaxation. The calculated relaxations are presented in Table 3. The relaxations of 1nn of octahedral interstitial carbon and nitrogen atoms are 23.30% and 22.42%, respectively, which are greatly larger than the relaxations of other nearest-neighbor atoms (0.1-2%). These results indicate that the influence range of FIA is very local. The lattice distortions introduced by the octahedral interstitial carbon or nitrogen atom can be characterized by determining the dipolar tensor from Kanzaki forces. Here, to obtain the dipolar tensor, we adopt a similar calculation procedure as used in Ref. [14], where the dipolar tensor P is calculated from the Kanzaki forces on all the tungsten atoms. The detailed procedure could be found in Ref. [14]. Due to the symmetry of the configuration, the dipolar tensor has two independent values: P11 and P33, which are listed in Table 3. Similarly with Ref. [14], approximate

  6. Substrate patterning with NiOx nanoparticles and hot-wire chemical vapour deposition of WO3x and carbon nanostructures

    NASA Astrophysics Data System (ADS)

    Houweling, Z. S.

    2011-10-01

    The first part of the thesis treats the formation of nickel catalyst nanoparticles. First, a patterning technique using colloids is employed to create ordered distributions of monodisperse nanoparticles. Second, nickel films are thermally dewetted, which produces mobile species that self-arrange in non-ordered distributions of polydisperse particles. Third, the mobility of the nickel species is successfully reduced by the addition of air during the dewetting and the use of a special anchoring layer. Thus, non-ordered distributions of self-arranged monodisperse nickel oxide nanoparticles (82±10 nm x 16±2 nm) are made. Studies on nickel thickness, dewetting time and dewetting temperature are conducted. With these particle templates, graphitic carbon nanotubes are synthesised using catalytic hot-wire chemical vapour deposition (HWCVD), demonstrating the high-temperature processability of the nanoparticles. The second part of this thesis treats the non-catalytic HWCVD of tungsten oxides (WO3-x). Resistively heated tungsten filaments exposed to an air flow at subatmospheric pressures, produce tungsten oxide vapour species, which are collected on substrates and are subsequently characterised. First, a complete study on the process conditions is conducted, whereby the effects of filament radiation, filament temperature, process gas pressure and substrate temperature, are investigated. The thus controlled growth of nanogranular smooth amorphous and crystalline WO3-x thin films is presented for the first time. Partially crystalline smooth hydrous WO3-x thin films consisting of 20 nm grains can be deposited at very high rates. The synthesis of ultrafine powders with particle sizes of about 7 nm and very high specific surface areas of 121.7±0.4 m2·g-1 at ultrahigh deposition rates of 36 µm·min-1, is presented. Using substrate heating to 600°C or more, while using air pressures of 3·10-5 mbar to 0.1 mbar, leads to pronounced crystal structures, from nanowires, to

  7. Wire Wise.

    ERIC Educational Resources Information Center

    Swanquist, Barry

    1998-01-01

    Discusses how today's technology is encouraging schools to invest in furnishings that are adaptable to computer use and telecommunications access. Explores issues concerning modularity, wiring management, ergonomics, durability, price, and aesthetics. (GR)

  8. Study of the influence of filler wire carbon and residual element content on the mechanical properties of mechanized gas-metal-arc-welds: Final report

    SciTech Connect

    Not Available

    1988-06-01

    The individual and interactive roles of carbon, oxygen, and nitrogen and residual or tramp elements such as titanium, chromium, copper, sulfur, phosphorus, aluminum, arsenic, tin, and antimony on weld metal mechanical properties in pipeline steels are poorly documented. Further, most of the research has been done with the submerged-arc process. Systematic studies of the microstructures and toughnesses of GMAW welds are limited. A better understanding of the effects of carbon and the residual elements on weld metal toughnesses is needed so that appropriate filler wires can be produced. Accordingly, the objective of this research program was to attempt to determine the reason for the variable toughness of mechanized gas-metal-arc (GMA) girth welds and to identify means of improving toughness levels, particularly CTOD test values. This report is available from the American Gas Association Order Processing Department, 1515 Wilson Boulevard, Arlington, VA 2209-2470 (703/841-8558). 5 refs., 36 figs., 9 tabs.

  9. Is atomic carbon a good tracer of molecular gas in metal-poor galaxies?

    NASA Astrophysics Data System (ADS)

    Glover, Simon C. O.; Clark, Paul C.

    2016-03-01

    Carbon monoxide (CO) is widely used as a tracer of molecular hydrogen (H2) in metal-rich galaxies, but is known to become ineffective in low-metallicity dwarf galaxies. Atomic carbon has been suggested as a superior tracer of H2 in these metal-poor systems, but its suitability remains unproven. To help us to assess how well atomic carbon traces H2 at low metallicity, we have performed a series of numerical simulations of turbulent molecular clouds that cover a wide range of different metallicities. Our simulations demonstrate that in star-forming clouds, the conversion factor between [C I] emission and H2 mass, XCI, scales approximately as XCI ∝ Z-1. We recover a similar scaling for the CO-to-H2 conversion factor, XCO, but find that at this point in the evolution of the clouds, XCO is consistently smaller than XCI, by a factor of a few or more. We have also examined how XCI and XCO evolve with time. We find that XCI does not vary strongly with time, demonstrating that atomic carbon remains a good tracer of H2 in metal-poor systems even at times significantly before the onset of star formation. On the other hand, XCO varies very strongly with time in metal-poor clouds, showing that CO does not trace H2 well in starless clouds at low metallicity.

  10. Combined ab initio molecular dynamics and experimental studies of carbon atom addition to benzene.

    PubMed

    McKee, Michael L; Reisenauer, Hans Peter; Schreiner, Peter R

    2014-04-17

    Car-Parrinello molecular dynamics was used to explore the reactions between triplet and singlet carbon atoms with benzene. The computations reveal that, in the singlet C atom reaction, products are very exothermic where nearly every collision yields a product that is determined by the initial encounter geometry. The singlet C atom reaction does not follow the minimum energy path because the bimolecular reaction is controlled by dynamics (i.e., initial orientation of encounter). On the other hand, in a 10 K solid Ar matrix, ground state C((3)P) atoms do tend to follow RRKM kinetics. Thus, ab initio molecular dynamics (AIMD) results indicate that a significant fraction of C-H insertion occurs to form phenylcarbene whereas, in marked contrast to previous theoretical and experimental conclusions, the Ar matrix isolation studies indicate a large fraction of direct cycloheptatetraene formation, without the intermediacy of phenylcarbene. The AIMD calculations are more consistent with vaporized carbon atom experiments where labeling studies indicate the initial formation of phenylcarbene. This underlines that the availability of thermodynamic sinks can completely alter the observed reaction dynamics. PMID:24661002

  11. Reactions of atomic carbon with oxygenated compounds and the investigation of fullerene chemistry

    SciTech Connect

    Chang, Tsongming.

    1993-01-01

    The reaction of atomic carbon with oxygenated organics produces CO and an energetic fragment. Reactions involving deoxygenation of carbonyl compounds to carbenes, epoxides to alkenes, and ethers to a pair of radicals have been investigated. Carbon atom deoxygenation of cyclopentanone and cylcopentene oxide give the cleavage products, ethylene and allene, along with cyclopentene. The use of 2,2,5,5-d[sub 4]-cyclopentanone as the substrate reveals the direct cleavage of cyclopentanylidene carbene is occurring. A calculation of the energetics of this reaction at the MP4/6-31G[sup *]//6-31G[sup *] level suggests a nonconcerted cleavage via a biradical intermediate. Carbon atoms deoxygenate cyclohexene. Inert gas deactivated energetic cyclohexene. The deoxygenation of other oxygenated compounds by atomic carbon, such as 7-oxabicyclo[2.2.1]heptane to cyclohexane-1,4-diyl biradical, 1,2-epoxy-5-hexane to energetic 1,S-hexadiene, allyl ether to allyl radicals, and [gamma]-butyrolactone to trimethylene-1,3-diyl biradical have also been carried out. Methylketene was deoxygenated to vinylidene carbene which rearranges to propyne via a 1,2-H shift. Dimethylketene was deoxygenated to dimethylethylidene carbene which gives 2-butyne via a 1,2-methyl shift and 1,3-butadiene via a vicinal C-H bond insertion. The addition of hydrogen donors to systems in which C[sub 60] is generated results in the formation of polycyclic aromatic hydrocarbons whose carbon skeleton might represent intermediates in fullerene formation. Based on this result, the author proposed a mechanism of fullerene formation. The use of various amounts of propene as a trap showed that the yield of fullerenes decreases as the amount of the trapped product increases. Attempts to trap intermediates in fullerene formation using halides and metals have been studied. The author has attempted metal encapsulation reactions and investigated some possible chemical reactions of fullerenes.

  12. Quantum Monte Carlo calculation of the properties of atomic carbon and diamond

    SciTech Connect

    Fahy, S.; Wang, X.W.; Louie, S.G.

    1988-06-01

    A new method of calculating total energies of solids using non-local pseudopotentials in conjunction with the variational quantum Monte Carlo approach is presented. By using pseudopotentials, the large fluctuations of the energies in the core region of the atoms which occur in quantum Monte Carlo all-electron schemes are avoided. The method is applied to calculate the cohesive energy and structural properties of diamond and the first ionization energy and electron affinity of the carbon atom. Results are in excellent agreement with experiment. 8 refs., 1 fig., 2 tabs.

  13. Transfer impedance measurements of the space shuttle Solid Rocket Motor (SRM) joints, wire meshes and a carbon graphite motor case

    NASA Technical Reports Server (NTRS)

    Papazian, Peter B.; Perala, Rodney A.; Curry, John D.; Lankford, Alan B.; Keller, J. David

    1988-01-01

    Using three different current injection methods and a simple voltage probe, transfer impedances for Solid Rocket Motor (SRM) joints, wire meshes, aluminum foil, Thorstrand and a graphite composite motor case were measured. In all cases, the surface current distribution for the particular current injection device was calculated analytically or by finite difference methods. The results of these calculations were used to generate a geometric factor which was the ratio of total injected current to surface current density. The results were validated in several ways. For wire mesh measurements, results showed good agreement with calculated results for a 14 by 18 Al screen. SRM joint impedances were independently verified. The filiment wound case measurement results were validated only to the extent that their curve shape agrees with the expected form of transfer impedance for a homogeneous slab excited by a plane wave source.

  14. The interaction between Boron-carbon-nitride heteronanotubes and lithium atoms: Role of composition proportion

    NASA Astrophysics Data System (ADS)

    Zhong, Rong-Lin; Xu, Hong-Liang; Su, Zhong-Min

    2016-08-01

    A series of Li@BCN models were systematically investigated to explore the physical origin of the interaction between lithium atoms and BCNs. Theoretical results show that the crucial electron population in the BCNs of Li@B-BCN and Li@N-BCN series is dramatically different. As results, the first hyperpolarizability of Li@B-BCN series increases with the increase of carbon proportion whereas that of Li@N-BCN series significantly decreases with the increase of carbon proportion. The results indicate that the physical properties of Li@BCN models are significantly dependent on the different chemical environment of the tube termination.

  15. Angular distribution of photoelectrons from atomic oxygen, nitrogen and carbon. [in upper atmosphere

    NASA Technical Reports Server (NTRS)

    Manson, S. J.; Kennedy, D. J.; Starace, A. F.; Dill, D.

    1974-01-01

    The angular distributions of photoelectrons from atomic oxygen, nitrogen, and carbon are calculated. Both Hartree-Fock and Hartree-Slater (Herman-Skillman) wave functions are used for oxygen, and the agreement is excellent; thus only Hartree-Slater functions are used for carbon and nitrogen. The pitch-angle distribution of photoelectrons is discussed, and it is shown that previous approximations of energy-independent isotropic or sin squared theta distributions are at odds with the authors' results, which vary with energy. This variation with energy is discussed, as is the reliability of these calculations.

  16. Microwave absorption properties of carbon nanocoils coated with highly controlled magnetic materials by atomic layer deposition.

    PubMed

    Wang, Guizhen; Gao, Zhe; Tang, Shiwei; Chen, Chaoqiu; Duan, Feifei; Zhao, Shichao; Lin, Shiwei; Feng, Yuhong; Zhou, Lei; Qin, Yong

    2012-12-21

    In this work, atomic layer deposition is applied to coat carbon nanocoils with magnetic Fe(3)O(4) or Ni. The coatings have a uniform and highly controlled thickness. The coated nanocoils with coaxial multilayer nanostructures exhibit remarkably improved microwave absorption properties compared to the pristine carbon nanocoils. The enhanced absorption ability arises from the efficient complementarity between complex permittivity and permeability, chiral morphology, and multilayer structure of the products. This method can be extended to exploit other composite materials benefiting from its convenient control of the impedance matching and combination of dielectric-magnetic multiple loss mechanisms for microwave absorption applications. PMID:23171130

  17. The abundance of atomic carbon near the ionization fronts in M17 and S140

    NASA Technical Reports Server (NTRS)

    Keene, J.; Blake, G. A.; Phillips, T. G.; Huggins, P. J.; Beichman, C. A.

    1985-01-01

    The 492 GHz ground-state line of atomic carbon in the edge-on ionization fronts in M17 and S140 were observed. It was found that, contrary to expectation, the C I emission peaks farther into the molecular cloud from the ionization front than does the CO. In fact the peak C I abundance in M17 occurs more than 60 mag of visual extinction into the cloud from the ionization front. Calculations of the ratio of C I to CO column densities yield values of 0.1-0.2. These observations do not support chemical models which predict that neutral atomic carbon should be found only near the edges of molelcular clouds. Other models are discussed which may explain the observations.

  18. Determination of gold in geological materials by carbon slurry sampling graphite furnace atomic absorption spectrometry.

    PubMed

    Dobrowolski, Ryszard; Kuryło, Michał; Otto, Magdalena; Mróz, Agnieszka

    2012-09-15

    A simple and cost effective preconcentration method on modified activated carbons is described for the determination of traces of gold (Au) in geological samples by carbon slurry sampling graphite furnace atomic absorption spectrometry (GFAAS). The basic parameters affecting the adsorption capacity of Au(III) ions on modified activated carbons were studied in detail and the effect of activated carbons modification has been determined by studying the initial runs of adsorption isotherms. The influence of chlorides and nitrates on adsorption ability of Au(III) ions onto the modified activated carbons for diluted aqueous solution was also studied in detail in respect to the determination of gold in solid materials after digestion steps in the analytical procedure, which usually involves the application of aqua regia. SEM-EDX and XPS studies confirmed that the surface reduction of Au(III) ions to Au(0) is the main gold adsorption mechanism on the activated carbon. Determination of gold after its preconcentration on the modified activated carbon was validated by applying certified reference materials. The experimental results are in good agreement with the certified values. The proposed method has been successfully applied for the determination of Au in real samples using aqueous standards. PMID:22967620

  19. ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN

    SciTech Connect

    M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

    2002-11-01

    Fossil fuels, especially coal, can support the energy demands of the world for centuries to come, if the environmental problems associated with CO{sub 2} emissions can be overcome. Permanent and safe methods for CO{sub 2} capture and disposal/storage need to be developed. Mineralization of stationary-source CO{sub 2} emissions as carbonates can provide such safe capture and long-term sequestration. Mg-rich lamellar-hydroxide based minerals (e.g., brucite and serpentine) offer a class of widely available, low-cost materials, with intriguing mineral carbonation potential. Carbonation of such materials inherently involves dehydroxylation, which can disrupt the material down to the atomic level. As such, controlled dehydroxylation, before and/or during carbonation, may provide an important parameter for enhancing carbonation reaction processes. Mg(OH){sub 2} was chosen as the model material for investigating lamellar hydroxide mineral dehydroxylation/carbonation mechanisms due to (1) its structural and chemical simplicity, (2) interest in Mg(OH){sub 2} gas-solid carbonation as a potentially cost-effective CO{sub 2} mineral sequestration process component, and (3) its structural and chemical similarity to other lamellar-hydroxide-based minerals (e.g., serpentine-based minerals) whose carbonation reaction processes are being explored due to their low-cost CO{sub 2} sequestration potential. Fundamental understanding of the mechanisms that govern dehydroxylation/carbonation processes is essential for minimizing the cost of any lamellar-hydroxide-based mineral carbonation sequestration process. This final report covers the overall progress of this grant.

  20. ATOMIC-LEVEL IMAGING OF CO2 DISPOSAL AS A CARBONATE MINERAL: OPTIMIZING REACTION PROCESS DESIGN

    SciTech Connect

    M.J. McKelvy; R. Sharma; A.V.G. Chizmeshya; H. Bearat; R.W. Carpenter

    2001-10-01

    Fossil fuels, especially coal, can support the energy demands of the world for centuries to come, if the environmental problems associated with CO{sub 2} emissions can be overcome. Permanent and safe methods for CO{sub 2} capture and disposal/storage need to be developed. Mineralization of stationary-source CO{sub 2} emissions as carbonates can provide such safe capture and long-term sequestration. Mg-rich lamellar-hydroxide based minerals (e.g., brucite and serpentine) offer a class of widely available, low-cost materials, with intriguing mineral carbonation potential. Carbonation of such materials inherently involves dehydroxylation, which can disrupt the material down to the atomic level. As such, controlled dehydroxylation, before and/or during carbonation, may provide an important parameter for enhancing carbonation reaction processes. Mg(OH){sub 2} was chosen as the model material for investigating lamellar hydroxide mineral dehydroxylation/carbonation mechanisms due to (i) its structural and chemical simplicity, (ii) interest in Mg(OH){sub 2} gas-solid carbonation as a potentially cost-effective CO{sub 2} mineral sequestration process component, and (iii) its structural and chemical similarity to other lamellar-hydroxide-based minerals (e.g., serpentine-based minerals) whose carbonation reaction processes are being explored due to their low-cost CO{sub 2} sequestration potential. Fundamental understanding of the mechanisms that govern dehydroxylation/carbonation processes is essential for minimizing the cost of any lamellar-hydroxide-based mineral carbonation sequestration process. This report covers the third year progress of this grant, as well as providing an integrated overview of the progress in years 1-3, as we have been granted a one-year no-cost extension to wrap up a few studies and publications to optimize project impact.

  1. Carbon atom, dimer and trimer chemistry on diamond surfaces from molecular dynamics simulations

    SciTech Connect

    Valone, S.M.

    1995-07-01

    Spectroscopic studies of various atmospheres appearing in diamond film synthesis suggest evidence for carbon atoms, dimers, or trimers. Molecular dynamics simulations with the Brenner hydrocarbon potential are being used to investigate the elementary reactions of these species on a hydrogen-terminated diamond (111) surface. In principle these types of simulations can be extended to simulations of growth morphologies, in the 1-2 monolayer regime presently.

  2. Detection of the 610 micron /492 GHz/ line of interstellar atomic carbon

    NASA Technical Reports Server (NTRS)

    Phillips, T. G.; Huggins, P. J.; Kuiper, T. B. H.; Miller, R. E.

    1980-01-01

    The ground-state transition of neutral atomic carbon, 3P1-3P0, has been detected in the interstellar medium at the frequency of 492.162 GHz determined in the laboratory by Saykally and Evenson (1980). The observations were made from the NASA Kuiper Airborne Observatory using an InSb heterodyne bolometer receiver. The line was detected as strong emission from eight molecular clouds and apparently provides a widely useful probe of the interstellar medium.

  3. Atomic layer deposition on suspended single-walled carbon nanotubes via gas-phase noncovalent functionalization.

    PubMed

    Farmer, Damon B; Gordon, Roy G

    2006-04-01

    Alternating exposures of nitrogen dioxide gas and trimethylaluminum vapor are shown to functionalize the surfaces of single-walled carbon nanotubes with a self-limited monolayer. Functionalized nanotube surfaces are susceptible to atomic layer deposition of continuous, radially isotropic material. This allows for the creation of coaxial nanotube structures of multiple materials with precisely controlled diameters. Functionalization involves only weak physical bonding, avoiding covalent modification, which should preserve the unique optical, electrical, and mechanical properties of the nanotubes. PMID:16608267

  4. The atomic configuration of graphene/vanadium carbide interfaces in vanadium carbide-encapsulating carbon nanocapsules.

    PubMed

    Yazaki, Gaku; Matsuura, Daisuke; Kizuka, Tokushi

    2014-03-01

    Carbon nanocapsules (CNCs) encapsulating vanadium carbide (VC) nanocrystals with a NaCI structure were synthesized by a gas-evaporation method using arc-discharge heating. The CNCs were observed by high-resolution transmission electron microscopy. The VC nanocrystals within the nanospaces of CNCs were truncated by low-index facets and were coated with several graphene layers, forming graphene/VC interfaces. The atomic configuration and interlayer spacings at the interfaces were found. PMID:24745251

  5. Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains

    NASA Astrophysics Data System (ADS)

    Fang, X. W.; Zhang, G. P.; Yao, Y. X.; Wang, C. Z.; Ding, Z. J.; Ho, K. M.

    2011-10-01

    The conductance of single-atom carbon chain (SACC) between two zigzag graphene nanoribbons (GNR) is studied by an efficient scheme utilizing tight-binding (TB) parameters generated via quasi-atomic minimal basis set orbitals (QUAMBOs) and non-equilibrium Green's function (NEGF). Large systems (SACC contains more than 50 atoms) are investigated and the electronic transport properties are found to correlate with SACC's parity. The SACCs provide a stable off or on state in broad energy region (0.1-1 eV) around Fermi energy. The off state is not sensitive to the length of SACC while the corresponding energy region decreases with the increase of the width of GNR.

  6. A Molecular Dynamics of Cold Neutral Atoms Captured by Carbon Nanotube Under Electric Field and Thermal Effect as a Selective Atoms Sensor.

    PubMed

    Santos, Elson C; Neto, Abel F G; Maneschy, Carlos E; Chen, James; Ramalho, Teodorico C; Neto, A M J C

    2015-05-01

    Here we analyzed several physical behaviors through computational simulation of systems consisting of a zig-zag type carbon nanotube and relaxed cold atoms (Rb, Au, Si and Ar). These atoms were chosen due to their different chemical properties. The atoms individually were relaxed on the outside of the nanotube during the simulations. Each system was found under the influence of a uniform electric field parallel to the carbon nanotube and under the thermal effect of the initial temperature at the simulations. Because of the electric field, the cold atoms orbited the carbon nanotube while increasing the initial temperature allowed the variation of the radius of the orbiting atoms. We calculated the following quantities: kinetic energy, potential energy and total energy and in situ temperature, molar entropy variation and average radius of the orbit of the atoms. Our data suggest that only the action of electric field is enough to generate the attractive potential and this system could be used as a selected atoms sensor. PMID:26504991

  7. Development of carbon electrodes for electrochemistry, solid-state electronics and multimodal atomic force microscopy imaging

    NASA Astrophysics Data System (ADS)

    Morton, Kirstin Claire

    Carbon is one of the most remarkable elements due to its wide abundance on Earth and its many allotropes, which include diamond and graphite. Many carbon allotropes are conductive and in recent decades scientists have discovered and synthesized many new forms of carbon, including graphene and carbon nanotubes. The work in this thesis specifically focuses on the fabrication and characterization of pyrolyzed parylene C (PPC), a conductive pyrocarbon, as an electrode material for diodes, as a conductive coating for atomic force microscopy (AFM) probes and as an ultramicroelectrode (UME) for the electrochemical interrogation of cellular systems in vitro. Herein, planar and three-dimensional (3D) PPC electrodes were microscopically, spectroscopically and electrochemically characterized. First, planar PPC films and PPC-coated nanopipettes were utilized to detect a model redox species, Ru(NH3) 6Cl3. Then, free-standing PPC thin films were chemically doped, with hydrazine and concentrated nitric acid, to yield p- and n-type carbon films. Doped PPC thin films were positioned in conjunction with doped silicon to create Schottky and p-n junction diodes for use in an alternating current half-wave rectifier circuit. Pyrolyzed parylene C has found particular merit as a 3D electrode coating of AFM probes. Current sensing-atomic force microscopy imaging in air of nanoscale metallic features was undertaken to demonstrate the electronic imaging applicability of PPC AFM probes. Upon further insulation with parylene C and modification with a focused ion beam, a PPC UME was microfabricated near the AFM probe apex and utilized for electrochemical imaging. Subsequently, scanning electrochemical microscopy-atomic force microscopy imaging was undertaken to electrochemically quantify and image the spatial location of dopamine exocytotic release, elicited mechanically via the AFM probe itself, from differentiated pheochromocytoma 12 cells in vitro.

  8. Hierarchical MoS2 tubular structures internally wired by carbon nanotubes as a highly stable anode material for lithium-ion batteries

    PubMed Central

    Chen, Yu Ming; Yu, Xin Yao; Li, Zhen; Paik, Ungyu; Lou, Xiong Wen (David)

    2016-01-01

    Molybdenum disulfide (MoS2), a typical two-dimensional material, is a promising anode material for lithium-ion batteries because it has three times the theoretical capacity of graphite. The main challenges associated with MoS2 anodes are the structural degradation and the low rate capability caused by the low intrinsic electric conductivity and large strain upon cycling. Here, we design hierarchical MoS2 tubular structures internally wired by carbon nanotubes (CNTs) to tackle these problems. These porous MoS2 tubular structures are constructed from building blocks of ultrathin nanosheets, which are believed to benefit the electrochemical reactions. Benefiting from the unique structural and compositional characteristics, these CNT-wired MoS2 tubular structures deliver a very high specific capacity of ~1320 mAh g−1 at a current density of 0.1 A g−1, exceptional rate capability, and an ultralong cycle life of up to 1000 cycles. This work may inspire new ideas for constructing high-performance electrodes for electrochemical energy storage. PMID:27453938

  9. Hierarchical MoS2 tubular structures internally wired by carbon nanotubes as a highly stable anode material for lithium-ion batteries.

    PubMed

    Chen, Yu Ming; Yu, Xin Yao; Li, Zhen; Paik, Ungyu; Lou, Xiong Wen David

    2016-07-01

    Molybdenum disulfide (MoS2), a typical two-dimensional material, is a promising anode material for lithium-ion batteries because it has three times the theoretical capacity of graphite. The main challenges associated with MoS2 anodes are the structural degradation and the low rate capability caused by the low intrinsic electric conductivity and large strain upon cycling. Here, we design hierarchical MoS2 tubular structures internally wired by carbon nanotubes (CNTs) to tackle these problems. These porous MoS2 tubular structures are constructed from building blocks of ultrathin nanosheets, which are believed to benefit the electrochemical reactions. Benefiting from the unique structural and compositional characteristics, these CNT-wired MoS2 tubular structures deliver a very high specific capacity of ~1320 mAh g(-1) at a current density of 0.1 A g(-1), exceptional rate capability, and an ultralong cycle life of up to 1000 cycles. This work may inspire new ideas for constructing high-performance electrodes for electrochemical energy storage. PMID:27453938

  10. Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale.

    PubMed

    Zoberbier, Thilo; Chamberlain, Thomas W; Biskupek, Johannes; Suyetin, Mikhail; Majouga, Alexander G; Besley, Elena; Kaiser, Ute; Khlobystov, Andrei N

    2016-03-01

    The nature and dynamics of bonding between Fe, Ru, Os, and single-walled carbon nanotubes (SWNTs) is studied by aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM). The metals catalyze a wide variety of different transformations ranging from ejection of carbon atoms from the nanotube sidewall to the formation of hollow carbon shells or metal carbide within the SWNT, depending on the nature of the metal. The electron beam of AC-HRTEM serves the dual purpose of providing energy to the specimen and simultaneously enabling imaging of chemical transformations. Careful control of the electron beam parameters, energy, flux, and dose allowed direct comparison between the metals, demonstrating that their chemical reactions with SWNTs are determined by a balance between the cohesive energy of the metal particles and the strength of the metal-carbon σ- or π-bonds. The pathways of transformations of a given metal can be drastically changed by applying different electron energies (80, 40, or 20 keV), thus demonstrating AC-HRTEM as a new tool to direct and study chemical reactions. The understanding of interactions and bonding between SWNT and metals revealed by AC-HRTEM at the atomic level has important implications for nanotube-based electronic devices and catalysis. PMID:26848826