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Sample records for machine phase fullerene

  1. Machine Phase Fullerene Nanotechnology: 1996

    Globus, Al; Chancellor, Marisa K. (Technical Monitor)

    1997-01-01

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

  2. Fullerenes

    Ehrenreich, Henry

    1994-01-01

    Fullerenes or"buckyballs,"a new carbon-based family of materials, have fascinated the scientific community for the past few years. These materials are likely to find applications ranging from lubricants to batteries to biological magic bullets, which will be of great importance in the science and technology of the next century. This carefully edited volume, the first to include Frans Spaepen as co-editor, summarizes our present understanding in a series of didacticarticles, which take the reader from the fundamentals to the present cutting-edge research. A general overview is followed by chapters devoted to synthesis and characterization of fullerenes and their derivatives, the novel structural properties of buckyballs, tubes, and buckyonions, a theoretical and experimental view of electrons and phonons, and finally to the fascinating superconducting properties of these materials.Key Features* Presents systematic overview of entire field* Discusses synthesis, characterization, structure, and superconducting p...

  3. Structural and phase changes in copper-fullerene films by ion implantation and annealing

    Shpilevsky, E.M.; Baran, L.V.; Okatova, G.P.; Jakimovich, A.V.

    2001-01-01

    The structural and phase changes and the electrical properties of copper - fullerene (Cu-C 60 ) films by the ion implantation(B + , E=80 keV, D 5·10 21 m -2 ) and the thermal annealing are described. We found the copper-fullerene solid supersaturated solution formed in process of the two-component films obtaining. The result of the thermal annealing is the phase segregation of fullerene. It has been established the ion implantation adduces to the partial fragmentation of fullerene, to the destruction of the C 60 molecules and to the formation of the CuB 24 , B 25 C and B 4 C phases

  4. Liquid phase deposition of silica: Thin films, colloids and fullerenes

    Whitsitt, Elizabeth A.

    Little research has been done to explore liquid phase deposition (LPD) of silica on non-planar substrates. This thesis proves that the seeded growth of silica colloids from fullerene and surfactant micelles is possible via LPD, as is the coating of individual single walled carbon nanotubes (SWNTs) and carbon fibers. Working on the premise that a molecular growth mechanism (versus colloidal/gel deposition) is valid for LPD, nanostructured substrates and specific chemical functional groups should act as "seeds," or templates, for silica growth. Seeded growth is confirmed by reactions of the growth solution with a range of surfactants and with materials with distinctive surface moieties. LPD promises lower production costs and environmental impact as compared to present methods of coating technology, because it is an inherently simple process, using low temperatures and inexpensive air-stable reactants. Silica is ubiquitous in materials science. Its applications range from thixotropic additives for paint to gate dielectrics in the semiconductor industry. Nano-structured coatings and thin films are integral in today's electronics industry and will become more vital as the size of electronics shrinks. With the incorporation of nanoparticles in future devices, the ability to deposit quality coatings with finely tuned properties becomes paramount. The methods developed herein have applications in fabricating insulators for use in the future molecular scale electronics industry. Additionally, these silica nanoparticles have applications as templates for use in photonics and fuel cell membrane production and lend strength and durability to composites.

  5. Dispersion of fullerenes in phospholipid bilayers and the subsequent phase changes in the host bilayers

    Jeng, U-S. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China)]. E-mail: usjeng@nsrrc.org.tw; Hsu, C.-H. [National Synchrotron Radiation Research Center, Hsinchu 30077, Taiwan (China); Lin, T.-L. [Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Wu, C.-M. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Chen, H.-L. [Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Tai, L.-A. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Hwang, K.-C. [Department of Chemistry, National Tsing Hua University, Hsinchu 30013, Taiwan (China)

    2005-02-28

    We have studied the structure and phase transition characteristics of the fullerenes (C{sub 60})-embedded lipid bilayers. With small-angle neutron scattering (SANS), we have observed a degradation of bilayer ordering and a suppression effect on the phase transitions of the host vesicle bilayers of dipalmitoylphosphatidylcholine (DPPC), due to the embedment of fullerenes. The fullerene-embedded lipid system with substrate-oriented bilayers is also investigated using X-ray reflectivity and grazing incident small-angle X-ray scattering (GISAXS). In the depth direction, the multilamellar peaks observed in the X-ray reflectivity profile for the oriented DPPC/C{sub 60} bilayers reveal a larger head-to-head distance D{sub HH} of 50.6 A and a bilayer spacing D of 59.8 A, compared to the D{sub HH}=47.7 A and D=59.5 A for a pure DPPC membrane measured at the same conditions. Furthermore, the lipid head layers and water layers in the extracted electron density profile for the complex system are highly smeared, implying a fluctuating or corrugated structure in this zone. Correspondingly, GISAXS for the oriented DPPC/C{sub 60} membrane reveals stronger diffuse scatterings along the membrane plane than that for the pure DPPC system, indicating a higher in-plane correlation associated with the embedded fullerenes.

  6. Characterization of the polymer energy landscape in polymer:fullerene bulk heterojunctions with pure and mixed phases

    Sweetnam, Sean

    2014-10-08

    Theoretical and experimental studies suggest that energetic offsets between the charge transport energy levels in different morphological phases of polymer:fullerene bulk heterojunctions may improve charge separation and reduce recombination in polymer solar cells (PSCs). In this work, we use cyclic voltammetry, UV-vis absorption, and ultraviolet photoelectron spectroscopy to characterize hole energy levels in the polymer phases of polymer:fullerene bulk heterojunctions. We observe an energetic offset of up to 150 meV between amorphous and crystalline polymer due to bandgap widening associated primarily with changes in polymer conjugation length. We also observe an energetic offset of up to 350 meV associated with polymer:fullerene intermolecular interactions. The first effect has been widely observed, but the second effect is not always considered despite being larger in magnitude for some systems. These energy level shifts may play a major role in PSC performance and must be thoroughly characterized for a complete understanding of PSC function.

  7. Machine Learning Phases of Strongly Correlated Fermions

    Kelvin Ch’ng

    2017-08-01

    Full Text Available Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated fermions on cubic lattices. We show that a three-dimensional convolutional network trained on auxiliary field configurations produced by quantum Monte Carlo simulations of the Hubbard model can correctly predict the magnetic phase diagram of the model at the average density of one (half filling. We then use the network, trained at half filling, to explore the trend in the transition temperature as the system is doped away from half filling. This transfer learning approach predicts that the instability to the magnetic phase extends to at least 5% doping in this region. Our results pave the way for other machine learning applications in correlated quantum many-body systems.

  8. Multi-phase alternative current machine winding design | Khan ...

    ... single-phase to 18-phase excitation. Experimental results of a five-phase induction machine supplied from a static five-phase supply are provided to support the proposed design. Keywords: AC machine, Multi-phase machine, Stator winding, Five-phase. International Journal of Engineering, Science and Technology, Vol.

  9. Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

    Song, Zhibo

    2018-04-04

    Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

  10. Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

    Song, Zhibo; Wang, Qixing; Li, Ming-Yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

    2018-04-01

    Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48 ) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

  11. The effect of phase morphology on the nature of long-lived charges in semiconductor polymer:fullerene systems

    Dou, Fei; Domingo, Ester; Sakowicz, Maciej; Rezasoltani, Elham; McCarthy-Ward, Thomas; Heeney, Martin; Zhang, Xinping; Stingelin, Natalie; Silva, Carlos

    2015-01-01

    In this work, we investigate the effect of phase morphology on the nature of charges in poly(2,5-bis(3-tetradecyl-thiophen-2-yl)thieno[3,2,-b]thiophene) (pBTTT-C16) and phenyl-C61-butyric acid methyl ester (PC61BM) blends over timescales greater than hundreds of microseconds by quasi-steady-state photoinduced absorption spectroscopy. Specifically, we compare an essentially fully intermixed, one-phase system based on a 1 : 1 (by weight) pBTTT-C16 : PC61BM blend, known to form a co-crystal structure, with a two-phase morphology composed of relatively material-pure domains of the neat polymer and neat fullerene. The co-crystal occurs at a composition of up to 50 wt% PC61BM, because pBTTT-C16 is capable of hosting fullerene derivatives such as PC61BM in the cavities between its side chains. In contrast, the predominantly two-phase system can be obtained by manipulating a 1 : 1 polymer : fullerene blend with the assistance of a fatty acid methyl ester (dodecanoic acid methyl ester, Me12) as additive, which hinders co-crystal formation. We find that triplet excitons and polarons are generated in both phase morphologies. However, polarons are generated in the predominantly two-phase system at higher photon energy than for the structure based on the co-crystal phase. By means of a quasi-steady-state solution of a mesoscopic rate model, we demonstrate that the steady-state polaron generation efficiency and recombination rates are higher in the finely intermixed, one-phase system compared to the predominantly phase-pure, two-phase morphology. We suggest that the polarons generated in highly intermixed structures, such as the co-crystal investigated here, are localised polarons while those generated in the phase-separated polymer and fullerene systems are delocalised polarons. We expect this picture to apply generally to other organic-based heterojunctions of complex phase morphologies including donor:acceptor systems that form, for instance, molecularly mixed amorphous solid

  12. Fullerenes and disk-fullerenes

    Deza, M; Dutour Sikirić, M; Shtogrin, M I

    2013-01-01

    A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles

  13. Fullerenes and disk-fullerenes

    Deza, M.; Dutour Sikirić, M.; Shtogrin, M. I.

    2013-08-01

    A geometric fullerene, or simply a fullerene, is the surface of a simple closed convex 3-dimensional polyhedron with only 5- and 6-gonal faces. Fullerenes are geometric models for chemical fullerenes, which form an important class of organic molecules. These molecules have been studied intensively in chemistry, physics, crystallography, and so on, and their study has led to the appearance of a vast literature on fullerenes in mathematical chemistry and combinatorial and applied geometry. In particular, several generalizations of the notion of a fullerene have been given, aiming at various applications. Here a new generalization of this notion is proposed: an n-disk-fullerene. It is obtained from the surface of a closed convex 3-dimensional polyhedron which has one n-gonal face and all other faces 5- and 6-gonal, by removing the n-gonal face. Only 5- and 6-disk-fullerenes correspond to geometric fullerenes. The notion of a geometric fullerene is therefore generalized from spheres to compact simply connected two-dimensional manifolds with boundary. A two-dimensional surface is said to be unshrinkable if it does not contain belts, that is, simple cycles consisting of 6-gons each of which has two neighbours adjacent at a pair of opposite edges. Shrinkability of fullerenes and n-disk-fullerenes is investigated. Bibliography: 87 titles.

  14. Polymerized phase and amorphous diamond synthesized from C60 fullerene by shock compression

    Niwase, K.; Homae, T.; Nakamura, K.G.; Kondo, K.

    2006-01-01

    C 60 fullerene films were shock compressed to 23 and 52GPa. Both the recovered samples exhibit fracture into platelets and broad photoluminescence, and intensity of these increases with increasing pressure. At 23GPa, a characteristic single broad band appears at 1560-1570cm -1 , which is similar to the one found for three-dimensional (3D) polymerized C 60 fullerene under high-pressure-high-temperature treatment. At 52GPa, on the other hand, the single broad band has disappeared and a diamond peak sometimes appears, depending on platelets

  15. Program Fullerene

    Wirz, Lukas; Peter, Schwerdtfeger,; Avery, James Emil

    2013-01-01

    Fullerene (Version 4.4), is a general purpose open-source program that can generate any fullerene isomer, perform topological and graph theoretical analysis, as well as calculate a number of physical and chemical properties. The program creates symmetric planar drawings of the fullerene graph, an......-Fowler, and Brinkmann-Fowler vertex insertions. The program is written in standard Fortran and C++, and can easily be installed on a Linux or UNIX environment....

  16. In-situ Neutron Scattering Determination of 3D Phase-Morphology Correlations in Fullerene Block Copolymer Systems

    Karim, Alamgir [Univ. of Akron, OH (United States); Bucknall, David [Georgia Inst. of Technology, Atlanta, GA (United States); Raghavan, Dharmaraj [Howard Univ., Washington, DC (United States)

    2015-02-23

    a fundamental study that does not set out to evaluate new materials or produce devices, but rather we wish to understand from first principles how the molecular structure of polymer-fullerene mixtures determined using neutron scattering (small angle neutron scattering and neutron reflection) affects device characteristics and consequently performance. While this seems a very obvious question to ask, this critical understanding is far from being realized despite the wealth of studies into OPV’s and is severely limiting organic PV devices from achieving their theoretical potential. Despite the fundamental nature of proposed work, it is essential to remain technologically relevant and therefore to ensure we address these issues we have developed relationships on the fundamental nature of structure-processing-property paradigm as applied to future need for large area, flexible OPV devices. Nanoscale heterojunction systems consisting of fullerenes dispersed in conjugated polymers are promising materials candidates for achieving high performance organic photovoltaic (OPV) devices. In order to understand the phase behavior in these devices, neutron reflection is used to determine the behavior of model conjugated polymer-fullerene mixtures. Neutron reflection is particularly useful for these types of thin film studies since the fullerene generally have a high scattering contrast with respect to most polymers. We are studying model bulk heterojunction (BHJ) films based on mixtures of poly(3-hexyl thiophene)s (P3HT), a widely used photoconductive polymer, and different fullerenes (C60, PCBM and bis-PCBM). The characterization technique of neutron reflectivity measurements have been used to determine film morphology in a direction normal to the film surfaces. The novelty of the approach over previous studies is that the BHJ layer is sandwiched between a PEDOT/PSS and Al layers in real device configuration. Using this model system, the effect of typical thermal annealing

  17. The existence of a plastic phase and a solid-liquid dynamical bistability region in small fullerene cluster (C60)7: molecular dynamics simulation

    Piatek, A; Dawid, A; Gburski, Z

    2006-01-01

    We have simulated (by the molecular dymanics (MD) method) the dynamics of fullerenes (C 60 ) in an extremely small cluster composed of only as many as seven C 60 molecules. The interaction is taken to be the full 60-site pairwise additive Lennard-Jones (LJ) potential which generates both translational and anisotropic rotational motions of each molecule. Our atomically detailed MD simulations discover the plastic phase (no translations but active reorientations of fullerenes) at low energies (temperatures) of the (C 60 ) 7 cluster. We provide the in-depth evidence of the dynamical solid-liquid bistability region in the investigated cluster. Moreover, we confirm the existence of the liquid phase in (C 60 ) 7 , the finding of Gallego et al (1999 Phys. Rev. Lett. 83 5258) obtained earlier on the basis of Girifalco's model, which assumes single-site only and spherically symmetrical interaction between C 60 molecules. We have calculated the translational and angular velocity autocorrelation functions and estimated the diffusion coefficient of fullerene in the liquid phase

  18. Mathematical model of five-phase induction machine

    Schreier, Luděk; Bendl, Jiří; Chomát, Miroslav

    2011-01-01

    Roč. 56, č. 2 (2011), s. 141-157 ISSN 0001-7043 R&D Projects: GA ČR GA102/08/0424 Institutional research plan: CEZ:AV0Z20570509 Keywords : five-phase induction machines * symmetrical components * spatial wave harmonics Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  19. Phase transitions in restricted Boltzmann machines with generic priors

    Barra, Adriano; Genovese, Giuseppe; Sollich, Peter; Tantari, Daniele

    2017-10-01

    We study generalized restricted Boltzmann machines with generic priors for units and weights, interpolating between Boolean and Gaussian variables. We present a complete analysis of the replica symmetric phase diagram of these systems, which can be regarded as generalized Hopfield models. We underline the role of the retrieval phase for both inference and learning processes and we show that retrieval is robust for a large class of weight and unit priors, beyond the standard Hopfield scenario. Furthermore, we show how the paramagnetic phase boundary is directly related to the optimal size of the training set necessary for good generalization in a teacher-student scenario of unsupervised learning.

  20. Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

    Song, Zhibo; Wang, Qixing; Li, Ming-yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

    2018-01-01

    interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest

  1. Electromagnetic processes during phase commutation in field regulated reluctance machine

    Shishkov, A. N.; Sychev, D. A.; Zemlyansky, A. A.; Krupnova, M. N.; Funk, T. A.; Ishmet'eva, V. D.

    2018-03-01

    The processes of currents switching in stator windings have been explained by the existence of the electromagnetic torque ripples in the electric drive with the field-regulated reluctance machine. The maximum value of ripples in the open loop control system for the six-phase machine can reach 20 percent from the developed electromagnetic torque. This method allows one to make calculation of ripple spike towards average torque developed by the electromotor for the different number of phases. Application of a trapezoidal form of current at six phases became the solution. In case of a less number of phases than six, a ripple spike considerably increases, which is inadmissible. On the other hand, increasing the number of phases tends to the increase of the semiconductor inverter external dimensions based on the inconspicuous decreasing of a ripple spike. The creation and usage of high-speed control loops of current (HCLC) have been recommended for a reduction of the electromagnetic torque’s ripple level, as well as the appliance of positive current feedback in switching phase currents. This decision allowed one to receive a mean value of the torque more than 10%, compared to system without change, to reduce greatly ripple spike of the electromagnetic torque. The possibility of the electric drive effective operation with FRRM in emergency operation has been shown.

  2. A new fullerene network phase obtained from C.sub.70./sub. at high-pressure and high-temperature

    Marques, L.; Skorokhod, Yuriy; Soares, R.

    2015-01-01

    Roč. 9, č. 9 (2015), s. 535-538 ISSN 1862-6254 Institutional support: RVO:68378271 Keywords : fullerene s * high-pressure synthesis * X-ray diffraction * density functional calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.578, year: 2015

  3. Physical properties of organic fullerene cocrystals

    Macovez, Roberto

    2017-12-01

    The basic facts and fundamental properties of binary fullerene cocrystals are reviewed, focusing especially on solvates and salts of Buckminsterfullerene (C60), and hydrates of hydrophilic C60 derivatives. The examined properties include the lattice structure and the presence of orientational disorder and/or rotational dynamics (of both fullerenes and cocrystallizing moieties), thermodynamic properties such as decomposition enthalpies, and charge transport properties. Both thermodynamic properties and molecular orientational disorder shed light on the extent of intermolecular interactions in these binary solid-state systems. Comparison is carried out also with pristine fullerite and with the solid phases of functionalized C60. Interesting experimental findings on binary fullerene cocrystals include the simultaneous occurrence of rotations of both constituent molecular species, crystal morphologies reminiscent of quasi-crystalline behaviour, the observation of proton conduction in hydrate solids of hydrophilic fullerene derivatives, and the production of super-hard carbon materials by application of high pressures on solvated fullerene crystals.

  4. Nanostructured diamine-fullerene derivatives: computational density functional theory study and experimental evidence for their formation via gas-phase functionalization.

    Contreras-Torres, Flavio F; Basiuk, Elena V; Basiuk, Vladimir A; Meza-Laguna, Víctor; Gromovoy, Taras Yu

    2012-02-16

    Nanostructure derivatives of fullerene C(60) are used in emerging applications of composite matrices, including protective and decorative coating, superadsorbent material, thin films, and lightweight high-strength fiber-reinforced materials, etc. In this study, quantum chemical calculations and experimental studies were performed to analyze the derivatives of diamine-fullerene prepared by the gas-phase solvent-free functionalization technique. In particular, the aliphatic 1,8-diamino-octane and the aromatic 1,5-diaminonaphthalene, which are diamines volatile in vacuum, were studied. We addressed two alternative mechanisms of the amination reaction via polyaddition and cross-linking of C(60) with diamines, using the pure GGA BLYP, PW91, and PBE functionals; further validation calculations were performed using the semiempirical dispersion GGA B97-D functional which contains parameters that have been specially adjusted by a more realistic view on dispersion contributions. In addition, we looked for experimental evidence for the covalent functionalization by using laser desorption/ionization time-of-flight mass spectrometry, thermogravimetric analysis, and atomic force microscopy.

  5. Vortex phase diagram in Bi2Sr2CaCuO8+δ with damage tracks created by 30 MeV fullerene irradiation

    Ishikawa, N.; Beek, C.J. van der; Dunlop, A.; Jaskierowicz, G.; Li, Ming; Kes, P.H.; Della-Negra, S.

    2004-01-01

    Using 30 MeV C 60 fullerene irradiation, we have produced latent tracks of diameter 20 nm and length 200 nm, near the surface of single crystalline Bi 2 Sr 2 CaCu 2 O 8+δ . A preliminary transmission electron microscopy study shows evidence for a very high density of deposited energy, and the ejection of material from the track core in very thin specimens. The latent tracks reveal themselves to be exceptionally strong pinning centers for vortices in the superconducting mixed state. Both the critical current density and magnetic irreversibility line are significantly enhanced. The irradiated crystals present salient features of the (B, T) phase diagram of vortex matter both of pristine crystals, such as the first order vortex phase transition, and the exponential Bose-glass line characteristic of heavy ion-irradiated crystals. We show that the latter is manifestly independent of the pinning potential. (author)

  6. Fullerene genesis by ion beams

    Gamaly, E.G.; Chadderton, L.T.; Commonwealth Scientific and Industrial Research Organization, Lindfield, NSW

    1995-01-01

    Clearly detectable quantities of molecular fullerene (C 60 ), the most recently discovered allotrope of carbon, have been observed in graphite following irradiation with heavy projectile ions at energies of about 1 GeV using high pressure chromatography. Similar experiments using lower ion energies gave no corresponding signal, indicating an absence of fullerene. This clear difference suggests that there exists an energy threshold for fullerene genesis. Beginning with a microscopic description of deposition and transfer of energy from the ion to the target, a theoretical model is developed for interpretation of these and similar experiments. An important consequence is a description of the formation of large carbon clusters in the hot dense 'primeval soup' of single carbon atoms by means of random 'sticky' collisions. The ion energy threshold is seen as arising, physically, from a balance in the competition between the rate of primary energy deposition and the rate of system cooling. Rate equations for the basic clustering process allow calculations of the time-dependent number densities for the different carbon clusters produced. An important consequence of the theory is that it is established that the region for the specific phase transition from graphite to fullerene lies in the same pressure regime on the phase diagram as does the corresponding transition for graphite to diamond. (author)

  7. Enhanced superconductivity of fullerenes

    Washington, II, Aaron L.; Teprovich, Joseph A.; Zidan, Ragaiy

    2017-06-20

    Methods for enhancing characteristics of superconductive fullerenes and devices incorporating the fullerenes are disclosed. Enhancements can include increase in the critical transition temperature at a constant magnetic field; the existence of a superconducting hysteresis over a changing magnetic field; a decrease in the stabilizing magnetic field required for the onset of superconductivity; and/or an increase in the stability of superconductivity over a large magnetic field. The enhancements can be brought about by transmitting electromagnetic radiation to the superconductive fullerene such that the electromagnetic radiation impinges on the fullerene with an energy that is greater than the band gap of the fullerene.

  8. Multiply-negatively charged aluminium clusters and fullerenes

    Walsh, Noelle

    2008-07-15

    Multiply negatively charged aluminium clusters and fullerenes were generated in a Penning trap using the 'electron-bath' technique. Aluminium monoanions were generated using a laser vaporisation source. After this, two-, three- and four-times negatively charged aluminium clusters were generated for the first time. This research marks the first observation of tetra-anionic metal clusters in the gas phase. Additionally, doubly-negatively charged fullerenes were generated. The smallest fullerene dianion observed contained 70 atoms. (orig.)

  9. The role of fullerene shell upon stuffed atom polarization potential

    Amusia, M. Ya.; Chernysheva, L. V.

    2015-01-01

    We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as corresponding cross-sections. We illustrate the general trend by concrete examples of electron scattering by endohedrals of Neon and Argon. To obtain the presented results, we have suggested a simplified approach that permits to incorporate the effect of fullerenes pol...

  10. Fullerenes, PAHs, Amino Acids and High Energy Astrophysics

    Susana Iglesias-Groth

    2014-12-01

    Full Text Available We present theoretical, observational and laboratory work on the spectral properties of fullerenes and hydrogenated fullerenes. Fullerenes in its various forms (individual, endohedral, hydrogenated, etc. can contribute to the UV bump in the extinction curves measured in many lines of sight of the Galaxy. They can also produce a large number of absorption features in the optical and near infrared which could be associated with diffuse interstellar bands. We summarise recent laboratory work on the spectral characterisation of fullerenes and hydrogenated fullerenes (for a range of temperatures. The recent detection of mid-IR bands of fullerenes in various astrophysical environments (planetary nebulae, reflection nebulae provide additional evidence for a link between fullerene families and diffuse interstellar bands. We describe recent observational work on near IR bands of C60+ in a protoplanetary nebula which support fullerene formation during the post-AGB phase. We also report on the survival of fullerenes to irradiation by high energy particles and gamma photons and laboratory work to explore the chemical  reactions that take place when fullerenes are exposed to this radiations in the presence of water, ammonia and other molecules as a potential path to form amino acids.

  11. Controlling solution-phase polymer aggregation with molecular weight and solvent additives to optimize polymer-fullerene bulk heterojunction solar cells

    Bartelt, Jonathan A.

    2014-03-20

    The bulk heterojunction (BHJ) solar cell performance of many polymers depends on the polymer molecular weight (M n) and the solvent additive(s) used for solution processing. However, the mechanism that causes these dependencies is not well understood. This work determines how M n and solvent additives affect the performance of BHJ solar cells made with the polymer poly(di(2-ethylhexyloxy)benzo[1,2-b:4,5-b\\']dithiophene-co- octylthieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD). Low M n PBDTTPD devices have exceedingly large fullerene-rich domains, which cause extensive charge-carrier recombination. Increasing the M n of PBDTTPD decreases the size of these domains and significantly improves device performance. PBDTTPD aggregation in solution affects the size of the fullerene-rich domains and this effect is linked to the dependency of PBDTTPD solubility on M n. Due to its poor solubility high M n PBDTTPD quickly forms a fibrillar polymer network during spin-casting and this network acts as a template that prevents large-scale phase separation. Furthermore, processing low M n PBDTTPD devices with a solvent additive improves device performance by inducing polymer aggregation in solution and preventing large fullerene-rich domains from forming. These findings highlight that polymer aggregation in solution plays a significant role in determining the morphology and performance of BHJ solar cells. The performance of poly(di(2-ethylhexyloxy) benzo[1,2-b:4,5-b\\']dithiophene-co-octylthieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD) bulk heterojunction solar cells strongly depends on the polymer molecular weight, and processing these bulk heterojunctions with a solvent additive preferentially improves the performance of low molecular weight devices. It is demonstrated that polymer aggregation in solution significantly impacts the thin-film bulk heterojunction morphology and is vital for high device performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Application of Machine Learning Techniques for Amplitude and Phase Noise Characterization

    Zibar, Darko; de Carvalho, Luis Henrique Hecker; Piels, Molly

    2015-01-01

    In this paper, tools from machine learning community, such as Bayesian filtering and expectation maximization parameter estimation, are presented and employed for laser amplitude and phase noise characterization. We show that phase noise estimation based on Bayesian filtering outperforms...

  13. The topology of fullerenes

    Schwerdtfeger, Peter; Wirz, Lukas; Avery, James Emil

    2014-01-01

    Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar g....... In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems....

  14. Torque Analysis With Saturation Effects for Non-Salient Single-Phase Permanent-Magnet Machines

    Lu, Kaiyuan; Ritchie, Ewen

    2011-01-01

    The effects of saturation on torque production for non-salient, single-phase, permanent-magnet machines are studied in this paper. An analytical torque equation is proposed to predict the instantaneous torque with saturation effects. Compared to the existing methods, it is computationally faster......-element results, and experimental results obtained on a prototype single-phase permanent-magnet machine....

  15. Ultra-precision machining induced phase decomposition at surface of Zn-Al based alloy

    To, S.; Zhu, Y.H.; Lee, W.B.

    2006-01-01

    The microstructural changes and phase transformation of an ultra-precision machined Zn-Al based alloy were examined using X-ray diffraction and back-scattered electron microscopy techniques. Decomposition of the Zn-rich η phase and the related changes in crystal orientation was detected at the surface of the ultra-precision machined alloy specimen. The effects of the machining parameters, such as cutting speed and depth of cut, on the phase decomposition were discussed in comparison with the tensile and rolling induced microstrucutural changes and phase decomposition

  16. Coupling series two five-phase asynchronous machine powered by a single voltage inverter

    Samir ABBAR

    2015-12-01

    Full Text Available Multi-phase machines are present in the fields of marine, rail traction, petrochemical industry, aviation, automotive. One of the benefits of these kings of machines is the fact that is possible to combine several series machines and order independently of the other. This article aims to spread an equally important role in the study of multi-stage machines. The study leads to the drive system of machines, their coupling modes, their feeding mode which is quite different and a preview on their principle of control.

  17. Phase Modulation Method for Control Systems of Rotary Machine Parameters

    V. V. Sychev

    2014-01-01

    Full Text Available Traditionally, vibration-based diagnostics takes the main place in a large complex of technical control means of rotary machine operation. It allows us to control the onset of extreme limit states of operating construction and its elements. However, vibration-based diagnostics is incapable to provide differentiated information about the condition of particular units, type of fault and point of its occurrence.From the practical experience of optoelectronic sensors development, methods of phase coding information about the behavior of the investigated object are known. They allow us to overcome the abovementioned disadvantage of vibration-based diagnostics through the modulation of the reflected radiation from the object. This phase modulation is performed with the image analyzers, in which the modulating raster (alternating transparent and nontransparent sectors is designed so, that the carrier frequency of oscillations is absent (suppressed in frequency spectrum, and all useful information can be found in the side frequencies.Carrier frequency suppression appears for two complete turns of the modulating raster. Each time during this process oscillations have a 180° phase shift (hop relatively to the initial oscillation on the boundary of each turn. It leads to a substantial increase in signal/noise ratio and possibility to conduct high-accuracy diagnostics.The principle of the pseudo inversion is used for measurements to suppress an adverse effect of various factors in dynamic control system. For this principle the leaving and returned beams practically go on the same way with small spatial shift. This shift occurs then the leaving beam reflects from a basic surface and the reflected – from the measured surface of the object. Therefore the measurements become insensitive to any other errors of system, except relative position of system «model-object».The main advantages of such measurements are the following:- system steadiness to error

  18. Laser controlled magnetism in hydrogenated fullerene films

    Makarova, Tatiana L.; Shelankov, Andrei L.; Kvyatkovskii, Oleg E.; Zakharova, Irina B.; Buga, Sergei G.; Volkov, Aleksandr P.

    2011-01-01

    Room temperature ferromagnetic-like behavior in fullerene photopolymerized films treated with monatomic hydrogen is reported. The hydrogen treatment controllably varies the paramagnetic spin concentration and laser induced polymerization transforms the paramagnetic phase to a ferromagnetic-like one. Excess laser irradiation destroys magnetic ordering, presumably due to structural changes, which was continuously monitored by Raman spectroscopy. We suggest an interpretation of the data based on first-principles density-functional spin-unrestricted calculations which show that the excess spin from mono-atomic hydrogen is delocalized within the host fullerene and the laser-induced polymerization promotes spin exchange interaction and spin alignment in the polymerized phase.

  19. Electron energy-loss spectroscopy on fullerenes and fullerene compounds

    Armbruster, J.

    1996-03-01

    A few years ago, a new form of pure carbon, the fullerenes, has been discovered, which shows many fascinating properties. Within this work the spatial and electronic structure of some selected fullerene compounds have been investigated by electron-energy-loss spectroscopy in transmission. Phase pure samples of alkali intercalated fullerides A x C 60 (A=Na, K, Cs) have been prepared using vacuum distillation. Measruements of K 3 C 60 show a dispersion of the charge carrier plasmon close to zero. This can be explained by calculations, which take into account both band structure and local-field (inhomogeneity) effects. The importance of the molecular structure can also be seen from the A 4 C 60 compounds, where the non-metallic properties are explained by a splitting of the t 1u and t 1g derived bands that is caused by electron-correlation and Jahn-Teller effects. First measurements of the electronic structure of Na x C 60 (x>6) are presented and reveal a complete transfer from the sodium atoms but an incomplete transfer onto the C 60 molecules. This behaviour can be explained by taking into account additional electronic states that are situated between the sodium atoms in the octahedral sites and are predicted by calculations using local density approximation. The crystal structure of the higher fullerenes C 76 and C 84 is found to be face-centered cubic

  20. Fullerene and oxidative stress

    M. A. Orlova

    2012-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to their practical medical using. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance for further promoting of either cytoprotective or cytotoxic effects. One of the main effects of fullerenes on living systems is the reactive oxygen species (ROS formation induction. This lecture provides a modern concept analysis regarding fullerenes effects on ROS formation and modulation of proliferation and apoptosis in normal and tumor cells.

  1. Real And Reactive Power Saving In Three Phase Induction Machine Using Star-Delta Switching Schemes

    Ramesh Daravath

    2017-04-01

    Full Text Available Induction machines are the most commonly used industrial drives for variety of applications. It has been estimated that induction motors consumes approximately 50 of all the electric energy generated. Further in the area of renewable energy sources such as wind or bio-mass energy induction machines have been found suitable for functioning as generators. In this context it may be mentioned that a star-delta switching is common for the starting of three-phase induction motor. Now it is proposed to use this star-delta switching for energy conservation of induction machines i.e. at times of reduced loads the machine switched back to star connection. Using a three-phase 400 V 50 Hz 4-pole induction machine it has been demonstrated that the star-delta switching of stator winding of three-phase induction machine motor generator operations reconnected in star at suitable reduced loads with a switching arrangement can result in improved efficiency and power factor as compared to a fixed delta or star connection. The predetermined values along with the experimental results have also been presented in this report. A simulation program has been developed for the predetermination of performance of the three-phase induction machine using exact equivalent circuit. A case study on a 250 kW 400 V 4-pole three-phase induction machine operated with different load cycles reveals the significant real and reactive power savings that could be obtained in the present proposal.

  2. In-Space Friction Stir Welding Machine, Phase I

    National Aeronautics and Space Administration — Longhurst Engineering, PLC, and Vanderbilt University propose an in-space friction stir welding (FSW) machine for joining complex structural aluminum components. The...

  3. Stator fault detection for multi-phase machines with multiple reference frames transformation

    Bianchini, Claudio; Fornasiero, Emanuele; Matzen, T.N.

    2009-01-01

    The paper focuses on a new diagnostic index for fault detection of a five-phase permanent-magnet machine. This machine has been designed for fault tolerant applications, and it is characterized by a mutual inductance equal to zero and a high self inductance, in order to limit the short-circuit cu...

  4. Fault detection of a Five-Phase Permanent-Magnet Machine

    Bianchini, Claudio; Matzen, Torben N.; Bianchi, Nicola

    2008-01-01

    The paper focuses on the fault detection of a five-phase Permanent-Magnet (PM) machine. This machine has been de-signed for fault tolerant applications, and it is characterised by a mutual inductance equal to zero and a high self inductance, with the purpose to limit the short circuit current...

  5. Terrestrial and extraterrestrial fullerenes

    Heymann, D.; Jenneskens, L.W.; Jehlicka, J; Koper, C.; Vlietstra, E. [Rice Univ, Houston, TX (United States). Dept. of Earth Science

    2003-07-01

    This paper reviews reports of occurrences of fullerenes in circumstellar media, interstellar media, meteorites, interplanetary dust particles (IDPs), lunar rocks, hard terrestrial rocks from Shunga (Russia), Sudbury (Canada) and Mitov (Czech Republic), coal, terrestrial sediments from the Cretaceous-Tertiary-Boundary and Pennian-Triassic-Boundary, fulgurite, ink sticks, dinosaur eggs, and a tree char. The occurrences are discussed in the context of known and postulated processes of fullerene formation, including the suggestion that some natural fullerenes might have formed from biological (algal) remains.

  6. Phase Space Prediction of Chaotic Time Series with Nu-Support Vector Machine Regression

    Ye Meiying; Wang Xiaodong

    2005-01-01

    A new class of support vector machine, nu-support vector machine, is discussed which can handle both classification and regression. We focus on nu-support vector machine regression and use it for phase space prediction of chaotic time series. The effectiveness of the method is demonstrated by applying it to the Henon map. This study also compares nu-support vector machine with back propagation (BP) networks in order to better evaluate the performance of the proposed methods. The experimental results show that the nu-support vector machine regression obtains lower root mean squared error than the BP networks and provides an accurate chaotic time series prediction. These results can be attributable to the fact that nu-support vector machine implements the structural risk minimization principle and this leads to better generalization than the BP networks.

  7. Three-Phase Modulated Pole Machine Topologies Utilizing Mutual Flux Paths

    Washington, Jamie G.; Atkinson, Glynn J.; Baker, Nick J.

    2012-01-01

    This paper discusses three-phase topologies for modulated pole machines (MPMs). The authors introduce a new threephase topology, which takes advantage of mutual flux paths; this is analyzed using 3-D finite-element methods and compared to a three-phase topology using three single-phase units...... stacked axially. The results show that the new “combined-phase MPM” exhibits a greater torque density, while offering a reduction in the number of components. The results obtained from two prototypes are also presented to verify the concept; the results show that the “combined-phase” machine could provide...

  8. Polymer-fullerene bulk heterojunction solar cells

    Janssen, RAJ; Hummelen, JC; Saricifti, NS

    Nanostructured phase-separated blends, or bulk heterojunctions, of conjugated Polymers and fullerene derivatives form a very attractive approach to large-area, solid-state organic solar cells.The key feature of these cells is that they combine easy, processing from solution on a variety of

  9. Fullerene and apoptosis

    M. A. Orlova

    2013-01-01

    Full Text Available Fullerene derivatives superfamily attracts a serious attention as antiviral and anticancer agents and drug delivery carriers as well. A large number of such fullerene С60 derivatives obtained to date. However, there is an obvious deficit of information about causes and mechanisms of immediately and long-term consequences of their effects in vivo which is a true obstacle on the way leading to practical medical use of them. First, this concerns their impact on the proliferation, apoptosis and necrosis regulation. Fullerene nanoparticle functionalization type, their sizes and surface nanopathology are of great importance to further promoting of either cytoprotective or cytotoxic effects. This lecture provides modern concept analysis regarding fullerenes effects on apoptosis pathway in normal and tumor cells.

  10. Electronic properties of fullerenes

    Kuzmany, H [ed.; Vienna Univ. (Austria). Inst. fuer Festkoerperphysik; Fink, J [ed.; Kernforschungszentrum Karlsruhe GmbH (Germany). Inst. fuer Nukleare Festkoerperphysik; Mehring, M [ed.; Stuttgart Univ. (Germany). Physikalisches Teilinstitut 2; Roth, S [ed.; Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C[sub 60] itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  11. Electronic properties of fullerenes

    Kuzmany, H.

    1993-01-01

    Since 1991, research in the field of organic carbon materials has developed at a rapid pace due to the advent of the fullerenes and related materials. These forms of carbon are considered as a missing link between the previously discussed electroactive polymers and the oxidic superconductors. It was therefore challenging to select this topic for an international winter school in Kirchberg. Although still in its infancy, research on the physics and chemistry of fullerenes and related compounds has already led to a wealth of results, which was reflected in the wide range of topics covered and the numerous discussions which emerged at the meeting. For C 60 itself, preparation methods and crystal growth techniques continue to evolve, while the understanding of the electronic and structural properties of its solid state continues to pose challenges to experimental and theoretical physicists. The ever-expanding range of higher fullerens and related materials, such as nanotubes and onions, poses a daunting but exciting task for researchers. For synthetic chemists, fullerenes represent the basis of a whole new range of synthetic compounds. The prospect of a periodic table of endohedral fullerene complexes has been discussed, and exohedrally complexed metal-fullerenes have already attracted the attention of physicists. The first endohedral materials are now available. (orig.)

  12. Preliminary Development of Real Time Usage-Phase Monitoring System for CNC Machine Tools with a Case Study on CNC Machine VMC 250

    Budi Harja, Herman; Prakosa, Tri; Raharno, Sri; Yuwana Martawirya, Yatna; Nurhadi, Indra; Setyo Nogroho, Alamsyah

    2018-03-01

    The production characteristic of job-shop industry at which products have wide variety but small amounts causes every machine tool will be shared to conduct production process with dynamic load. Its dynamic condition operation directly affects machine tools component reliability. Hence, determination of maintenance schedule for every component should be calculated based on actual usage of machine tools component. This paper describes study on development of monitoring system to obtaining information about each CNC machine tool component usage in real time approached by component grouping based on its operation phase. A special device has been developed for monitoring machine tool component usage by utilizing usage phase activity data taken from certain electronics components within CNC machine. The components are adaptor, servo driver and spindle driver, as well as some additional components such as microcontroller and relays. The obtained data are utilized for detecting machine utilization phases such as power on state, machine ready state or spindle running state. Experimental result have shown that the developed CNC machine tool monitoring system is capable of obtaining phase information of machine tool usage as well as its duration and displays the information at the user interface application.

  13. Polyethene with pendant fullerene moieties

    Zhang, XC; Sieval, AB; Hummelen, JC; Hessen, B; Zhang, Xiaochun

    2005-01-01

    Polyethene with fullerene moieties pendant on short-chain branches was prepared by the catalytic copolymerisation of ethene and a fullerene-containing vinylic comonomer, yielding polyethene copolymers containing up to 25 wt% of C-60.

  14. A Method for Solving the Voltage and Torque Equations of the Split-Phase Induction Machines

    G. A. Olarinoye

    2013-06-01

    Full Text Available Single phase induction machines have been the subject of many researches in recent times. The voltage and torque equations which describe the dynamic characteristics of these machines have been quoted in many papers, including the papers that present the simulation results of these model equations. The way and manner in which these equations are solved is not common in literature. This paper presents a detailed procedure of how these equations are to be solved with respect to the splitphase induction machine which is one of the different types of the single phase induction machines available in the market. In addition, these equations have been used to simulate the start-up response of the split phase induction motor on no-load. The free acceleration characteristics of the motor voltages, currents and electromagnetic torque have been plotted and discussed. The simulation results presented include the instantaneous torque-speed characteristics of the Split phase Induction machine. A block diagram of the method for the solution of the machine equations has also been presented.

  15. Automatic Detection of P and S Phases by Support Vector Machine

    Jiang, Y.; Ning, J.; Bao, T.

    2017-12-01

    Many methods in seismology rely on accurately picked phases. A well performed program on automatically phase picking will assure the application of these methods. Related researches before mostly focus on finding different characteristics between noise and phases, which are all not enough successful. We have developed a new method which mainly based on support vector machine to detect P and S phases. In it, we first input some waveform pieces into the support vector machine, then employ it to work out a hyper plane which can divide the space into two parts: respectively noise and phase. We further use the same method to find a hyper plane which can separate the phase space into P and S parts based on the three components' cross-correlation matrix. In order to further improve the ability of phase detection, we also employ array data. At last, we show that the overall effect of our method is robust by employing both synthetic and real data.

  16. Automatic testing in the integration phase of mobile work machine (TINAT) - MASIT31

    Multanen, P.; Hyvoenen, M. (Tampere University of Technology, Department of Intelligent Hydraulics and Automation, Tampere (Finland)); Ellman, A. (Tampere University of Technology, Department of Mechanics and Design, Tampere (Finland)); Rantala, S.; Alanen, J. (VTT Technical Research Centre of Finland, Espoo (Finland))

    2008-07-01

    Abstract The performance and reliability of mobile work machines are significantly affected by control systems of machines and their characteristics. Currently the testing of control systems and verification of their properties is often carried out just in the integration phase of controls and mechanical structure of machine. This is very time consuming, requires a lot of test personnel and is not extensive enough. In TINAT project a test concept will be developed for the testing of entire control systems of work machines without real the mechanical structures of the machines by utilizing modelling and real-time hardware-in-the-loop simulation. The simulator system enables automatic generation of test scenarios and automatic analysis and reporting of test results. (orig.)

  17. Spectroelectrochemical evidence for the effect of phase structure and interface on charge behavior in poly(3-hexylthiophene): Fullerene active layer

    Hu, Rong; Ni, Haitao; Wang, Zhaodong; Liu, Yurong; Liu, Hongdong; Yang, Xin; Cheng, Jiang

    2016-01-01

    Highlights: • The steady-state absorption spectra of P3HT"·"+, P3HT"·"−, PCBM"+ and PCBM"− were obtained. • The effect of morphology of active layer on charge generation was identified. • Non-equilibrium transport of electron and hole was confirmed in PSCs. - Abstract: To investigate the correlation between morphology of active layer and performance of polymer solar cells (PSCs). Poly(3-hexylthiophene):[6,6]-phenyl-C_6_1-butyric acid methyl ester (P3HT:PCBM) were selected as research object and five PSCs based on active layers with varied morphology were fabricated. The results showed that P3HT crystalline phase and donor-acceptor (D-A) interface had an important influence on PSCs performance, which was revealed by structure characterization and J-V measurement. To further understanding the effect of phase structure and D-A interface on charge behavior. Spectroelectrochemistry measurement (SEC) was performed to characterize the steady-state optical absorption of P3HT, PCBM cation and anion in varied active layers, and the spectra difference of cations and anions was analyzed. The results were found that D-A interface could promote charge generation. P3HT crystalline phase and PCBM aggregation phase were beneficial for improving the charge transport ability. Meanwhile, the non-equilibrium transport of electron and hole in PSCs was corroborated by SEC.

  18. Supramolecular solubilization of fullerenes and radio-fullerenes in aqueous media

    Braun, T.

    1999-01-01

    In this paper we are dealing with the supramolecular complexation of fullerenes C 60 , C 70 , some functionalized fullerenes and of the dumbbell structured C 120 dimer, with two host molecules, namely γ-cyclo-dextrin (GCD), and sulfocalix[8]arene in order to make them soluble in water. Previous investigations by others have shown that the reactions of some mentioned fullerenes and cyclo-dextrins and calixarenes are very slow and tedious in liquid phase as a result of solvatation effects. That we have decided to pursue the supramolecular complexation as solid-solid reactions by using mechanochemical activation in a ball mill. A mechanochemical treatment was used to enhance chemical reactivity in solid-solid reactions in which GCD give a complex with the C 60 as 2:1 host-guest complex. The calix[8]arene complex with C 60 molecule has been prepared. The sulfonated form of the host is well soluble in water. Endohedral radio-fullerenes of the XandC60 type (where * X is a rare gas, e.g. Ar, Xe, Kr, radionuclide) were prepared by nuclear recoil after neutron irradiation, a method developed by the author The endohedrally labelled fullerenes were then mechanochemically complexed into a labelled supramolecular complex with cyclo-dextrin and calixarene hosts. (author)

  19. Performance Evaluation of Eleven-Phase Induction Machine with Different PWM Techniques

    M.I. Masoud

    2015-06-01

    Full Text Available Multiphase induction machines are used extensively in low and medium voltage (MV drives. In MV drives, power switches have a limitation associated with switching frequency. This paper is a comparative study of the eleven-phase induction machine’s performance when used as a prototype and fed sinusoidal pulse-width-modulation (SPWM with a low switching frequency, selective harmonic elimination (SHE, and single pulse modulation (SPM techniques. The comparison depends on voltage/frequency controls for the same phase of voltage applied on the machine terminals for all previous techniques. The comparative study covers torque ripple, stator and harmonic currents, and motor efficiency.

  20. Transmutation of fullerenes.

    Cross, R James; Saunders, Martin

    2005-03-09

    Fullerenes were pyrolyzed by subliming them into a stream of flowing argon gas and then passing them through an oven heated to approximately 1000 degrees C. C(76), C(78), and C(84) all readily lost carbons to form smaller fullerenes. In the case of C(78), some isomerization was seen. Pyrolysis of (3)He@C(76) showed that all or most of the (3)He was lost during the decomposition. C(60) passes through the apparatus with no decomposition and no loss of helium.

  1. Advanced induction machine model in phase coordinates for wind turbine applications

    Fajardo, L.A.; Iov, F.; Hansen, Anca Daniela

    2007-01-01

    In this paper an advanced phase coordinates squirrel cage induction machine model with time varying electrical parameters affected by magnetic saturation and rotor deep bar effects, is presented. The model uses standard data sheet for characterization of the electrical parameters, it is developed...

  2. Two-chamber configuration of Bio-Nano electron cyclotron resonance ion source for fullerene modification

    Uchida, T., E-mail: uchida-t@toyo.jp [Bio-Nano Electronics Research Centre, Toyo University, Kawagoe 350-8585 (Japan); Graduate School of Interdisciplinary New Science, Toyo University, Kawagoe 350-8585 (Japan); Rácz, R.; Biri, S. [Institute for Nuclear Research (Atomki), Hungarian Academy of Sciences, Bem tér 18/C, H-4026 Debrecen (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, Suita 565-0871 (Japan); Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, Kawagoe 350-8585 (Japan); Faculty of Science and Engineering, Toyo University, Kawagoe 350-8585 (Japan)

    2016-02-15

    We report on the modification of fullerenes with iron and chlorine using two individually controllable plasmas in the Bio-Nano electron cyclotron resonance ion source (ECRIS). One of the plasmas is composed of fullerene and the other one is composed of iron and chlorine. The online ion beam analysis allows one to investigate the rate of the vapor-phase collisional modification process in the ECRIS, while the offline analyses (e.g., liquid chromatography-mass spectrometry) of the materials deposited on the plasma chamber can give information on the surface-type process. Both analytical methods show the presence of modified fullerenes such as fullerene-chlorine, fullerene-iron, and fullerene-chlorine-iron.

  3. Search for fullerenes in stone meteorites

    Oester, M. Y.; Kuechl, D.; Sipiera, P. P.; Welch, C. J.

    1994-07-01

    The possibility of identifying fullerenes in stony meteorites became apparent from a paper given by Radicati de Brozolo. In this paper it was reported that fullerenes were present in the debris resulting from a collision between a micrometeoroid and an orbiting satellite. This fact generated sufficient curiosity to initiate a search for the presence of fullerenes in various stone meteorites. In the present study seven ordinary chondrites (al-Ghanim L6 (find), Dimmitt H4 (find), Lazbuddie LL5 (find), New Concord H5 (fall), Silverton H4 (find), Springlake L6 (find), and Umbarger L3/6 (find)). Four carbonaceous chondrites (ALH 83100 C2 (find), ALH 83108 C30 (find), Allende CV3 (fall), and Murchison CM2 (fall), and one achondrite (Monticello How (find)) were analyzed for the presence of fullerenes. The analytical procedure employed was as follows: 100 mg of meteorite was ground up with a mortar and pestle; 10 mL of toluene was then added and the mixture was refluxed for 90 min; this mixture was then filtered through a short column of silica; a 50 microliter sample was then analyzed by high pressure liquid chromatography (HPLC) using a Buckyclutcher I column with a mobile phase consisting of equal volumes of toluene and hexane at a flow rate of 1.00 mg per minute, with detection at 330 and 600 nm. Three of the meteorites, Allende, Murchison, and al-Ghanim, gave HPLC traces containing peaks with similar retention times to the HPLC trace of an authentic fullerene C60. However, further analysis using an HPLC instrument equipped with a diode-array detector failed to confirm any of the substances detected in the three meteorites as C60. Additional analyses will be conducted to identify what the HPLC traces actually represent.

  4. Detection of fullerenes (C60 and C70) in commercial cosmetics

    Benn, Troy M.; Westerhoff, Paul; Herckes, Pierre

    2011-01-01

    Detection methods are necessary to quantify fullerenes in commercial applications to provide potential exposure levels for future risk assessments of fullerene technologies. The fullerene concentrations of five cosmetic products were evaluated using liquid chromatography with mass spectrometry to separate and specifically detect C 60 and C 70 from interfering cosmetic substances (e.g., castor oil). A cosmetic formulation was characterized with transmission electron microscopy, which confirmed that polyvinylpyrrolidone encapsulated C 60 . Liquid-liquid extraction of fullerenes from control samples approached 100% while solid-phase and sonication in toluene extractions yielded recoveries of 27-42%. C 60 was detected in four commercial cosmetics ranging from 0.04 to 1.1 μg/g, and C 70 was qualitatively detected in two samples. A single-use quantity of cosmetic (0.5 g) may contain up to 0.6 μg of C 60 , demonstrating a pathway for human exposure. Steady-state modeling of fullerene adsorption to biosolids is used to discuss potential environmental releases from wastewater treatment systems. - Highlights: → Fullerenes were detected in cosmetics up to 1.1 μg/g. → Liquid-liquid extraction efficiently recovers fullerenes in cosmetic matrices. → Solid-phase extraction reduces LC-MS detection interferences for C60. → Cosmetics can increase human and environmental fullerene exposures. - Fullerenes were detected in cosmetics with liquid chromatography-mass spectrometry up to 1.1 μg/g, demonstrating a source for human/environmental exposure.

  5. Matrix Assisted and/or Laser Desorption Ionization Quadrupole Ion Trap Time-of-Flight Mass Spectrometry of WO3 Clusters Formation in Gas Phase. Nanodiamonds, Fullerene, and Graphene Oxide Matrices

    Ausekar, Mayuri Vilas; Mawale, Ravi Madhukar; Pazdera, Pavel; Havel, Josef

    2018-03-01

    The formation of W x O y +●/-● clusters in the gas phase was studied by laser desorption ionization (LDI) and matrix assisted laser desorption ionization (MALDI) of solid WO3. LDI produced (WO3) n + ●/- ● ( n = 1-7) clusters. In MALDI, when using nano-diamonds (NDs), graphene oxide (GO), or fullerene (C60) matrices, higher mass clusters were generated. In addition to (WO3) n -● clusters, oxygen-rich or -deficient species were found in both LDI and MALDI (with the total number of clusters exceeding one hundred ≈ 137). This is the first time that such matrices have been used for the generation of(WO3) n + ●/-● clusters in the gas phase, while new high mass clusters (WO3) n -● ( n = 12-19) were also detected. [Figure not available: see fulltext.

  6. Vector control of three-phase AC machines system development in the practice

    Quang, Nguyen Phung; Dittrich, J

    2015-01-01

    This book addresses the vector control of three-phase AC machines, in particular induction motors with squirrel-cage rotors (IM), permanent magnet synchronous motors (PMSM) and doubly-fed induction machines (DFIM), from a practical design and development perspective. The main focus is on the application of IM and PMSM in electrical drive systems, where field-orientated control has been successfully established in practice. It also discusses the use of grid-voltage oriented control of DFIMs in wind power plants. This second, enlarged edition includes new insights into flatness-based  nonlinear

  7. Identification of fullerenes in iron-carbon alloys structure.

    KUZEEV Iskander Rustemovich

    2017-11-01

    Full Text Available Steels of various purposes are used in the construction industry, for example, as the reinforcement material in reinforced concrete structures. In the oil and gas industry, steel structures are used for storage and transportation of explosive toxic media. In this case the catastrophic damages might take place, that points at insufficiently deep knowledge about the processes running in structural materials when load is applied. Recent studies show that many properties of steel are set at the nanoscale level during crystallization from the molten metal and thermal treatment. To detect and identify fullerenes С60 and С70, which are independent nanoscale objects in steel structure, by various methods requires studying of how these objects influence on formation of steel properties. Iron atoms can serve as a catalyst and, interacting with large aromatic structures or fragments of the graphite planes, they form voluminous fullerene-type structures. The inverse phenomenon, i.e. influence of the formed nanoscale objects on structuring of the iron atoms, is also possible, as fullerene size is comparable with the size of the stable nucleus of the iron crystalline phase. The article discusses the issue of mechanisms of fullerenes formation in steels and cast irons. The most complicated issue in the study is the fullerenes identification by spectral methods as the quantity of released molecules is small. In order to increase the sensitivity of the fullerenes IR-spectrometry method, potassium bromide has been proposed to use. Dried and reduced sediment obtained as a result of dissolving iron matrix in steels is mixed with potassium bromide, the mixture becomes bright-orange. This fact points to presence of bromic fullerenes and to presence of fullerenes in the studied specimens. It is shown that the offered specimen preparation algorithm significantly increases sensitivity of the method.

  8. Practical aspects of the use of three-phase alternating current electric machines in electricity storage system

    Ciucur, Violeta

    2015-02-01

    Of three-phase alternating current electric machines, it brings into question which of them is more advantageous to be used in electrical energy storage system by pumping water. The two major categories among which are given dispute are synchronous and the asynchronous machine. To consider the synchronous machine with permanent magnet configuration because it brings advantages compared with conventional synchronous machine, first by removing the necessary additional excitation winding. From the point of view of loss of the two types of machines, the optimal adjustment of the magnetic flux density is obtained to minimize the copper loss by hysteresis and eddy currents.

  9. Third harmonic current injection into highly saturated multi-phase machines

    Klute Felix

    2017-03-01

    Full Text Available One advantage of multi-phase machines is the possibility to use the third harmonic of the rotor flux for additional torque generation. This effect can be maximised for Permanent Magnet Synchronous Machines (PMSM with a high third harmonic content in the magnet flux. This paper discusses the effects of third harmonic current injection (THCI on a five-phase PMSM with a conventional magnet shape depending on saturation. The effects of THCI in five-phase machines are shown in a 2D FEM model in Ansys Maxwell verified by measurement results. The results of the FEM model are analytically analysed using the Park model. It is shown in simulation and measurement that the torque improvement by THCI increases significantly with the saturation level, as the amplitude of the third harmonic flux linkage increases with the saturation level but the phase shift of the rotor flux linkage has to be considered. This paper gives a detailed analysis of saturation mechanisms of PMSM, which can be used for optimizing the efficiency in operating points of high saturations, without using special magnet shapes.

  10. Geochemie fullerenů

    Frank, Otakar; Jehlička, J.; Vítek, P.; Juha, Libor; Hamplová, Věra; Pokorná, Zdeňka

    2010-01-01

    Roč. 104, č. 8 (2010), s. 762-769 ISSN 0009-2770 R&D Projects: GA ČR GA205/07/0772; GA MŠk LC510; GA MŠk(CZ) LC528 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : geochemistry * fullerene s * geological materials Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.620, year: 2010

  11. Fullerenes, nanotubes, onions and related carbon structures

    Rao, C N.R.; Seshadri, Ram; Govindaraj, A; Sen, Rahul [Solid State and Structural Chemistry Unit, CSIR Centre of Excellence in Chemistry and Materials Research Centre, Indian Institute of Science, Bangalore (India)

    1995-12-01

    Fullerenes, containing five- and six-membered carbon rings, of which C{sub 6}0 and C{sub 7}0 are the prominent members, exhibit phase transitions associated with orientational ordering. When C{sub 6}0 is suitably doped with electrons, it shows novel superconducting and magnetic properties. We review these and other properties of fullerenes in bulk or in film form along with the preparative and structural aspects. Carbon nanotubes and onions (hyperfullerenes) are the other forms of carbon whose material properties have aroused considerable interest. Besides discussing these new forms of carbon, we briefly introduce other possible forms, such as those involving five-, six- and seven-membered rings and hybrids between diamond and graphite

  12. Phase Transitions in Aluminum Under Shockless Compression at the Z Machine

    Davis, Jean-Paul; Brown, Justin; Shulenburger, Luke; Knudson, Marcus

    2017-06-01

    Aluminum 6061 alloy has been used extensively as an electrode material in shockless ramp-wave experiments at the Z Machine. Previous theoretical work suggests that the principal quasi-isentrope in aluminum should pass through two phase transitions at multi-megabar pressures, first from the ambient fcc phase to hcp at around 200 GPa, then to bcc at around 320 GPa. Previous static measurements in a diamond-anvil cell have detected the hcp phase above 200 GPa along the room-temperature isentherm. Recent laser-based dynamic compression experiments have observed both the hcp and bcc phases using X-ray diffraction. Here we present high-accuracy velocity waveform data taken on pure and alloy aluminum materials at the Z Machine under shockless compression with 200-ns rise-time to 400 GPa using copper electrodes and lithium-fluoride windows. These are compared to recent EOS tables developed at Los Alamos National Laboratory, to our own results from diffusion quantum Monte-Carlo calculations, and to multi-phase EOS models with phase-transition kinetics. We find clear evidence of a fast transition around 200 GPa as expected, and a possible suggestion of a slower transition at higher pressure. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE AC04-94AL85000.

  13. A single-phase axially-magnetized permanent-magnet oscillating machine for miniature aerospace power sources

    Yi Sui

    2017-05-01

    Full Text Available A single-phase axially-magnetized permanent-magnet (PM oscillating machine which can be integrated with a free-piston Stirling engine to generate electric power, is investigated for miniature aerospace power sources. Machine structure, operating principle and detent force characteristic are elaborately studied. With the sinusoidal speed characteristic of the mover considered, the proposed machine is designed by 2D finite-element analysis (FEA, and some main structural parameters such as air gap diameter, dimensions of PMs, pole pitches of both stator and mover, and the pole-pitch combinations, etc., are optimized to improve both the power density and force capability. Compared with the three-phase PM linear machines, the proposed single-phase machine features less PM use, simple control and low controller cost. The power density of the proposed machine is higher than that of the three-phase radially-magnetized PM linear machine, but lower than the three-phase axially-magnetized PM linear machine.

  14. A single-phase axially-magnetized permanent-magnet oscillating machine for miniature aerospace power sources

    Sui, Yi; Zheng, Ping; Cheng, Luming; Wang, Weinan; Liu, Jiaqi

    2017-05-01

    A single-phase axially-magnetized permanent-magnet (PM) oscillating machine which can be integrated with a free-piston Stirling engine to generate electric power, is investigated for miniature aerospace power sources. Machine structure, operating principle and detent force characteristic are elaborately studied. With the sinusoidal speed characteristic of the mover considered, the proposed machine is designed by 2D finite-element analysis (FEA), and some main structural parameters such as air gap diameter, dimensions of PMs, pole pitches of both stator and mover, and the pole-pitch combinations, etc., are optimized to improve both the power density and force capability. Compared with the three-phase PM linear machines, the proposed single-phase machine features less PM use, simple control and low controller cost. The power density of the proposed machine is higher than that of the three-phase radially-magnetized PM linear machine, but lower than the three-phase axially-magnetized PM linear machine.

  15. Improved machine learning method for analysis of gas phase chemistry of peptides

    Ahn Natalie

    2008-12-01

    Full Text Available Abstract Background Accurate peptide identification is important to high-throughput proteomics analyses that use mass spectrometry. Search programs compare fragmentation spectra (MS/MS of peptides from complex digests with theoretically derived spectra from a database of protein sequences. Improved discrimination is achieved with theoretical spectra that are based on simulating gas phase chemistry of the peptides, but the limited understanding of those processes affects the accuracy of predictions from theoretical spectra. Results We employed a robust data mining strategy using new feature annotation functions of MAE software, which revealed under-prediction of the frequency of occurrence in fragmentation of the second peptide bond. We applied methods of exploratory data analysis to pre-process the information in the MS/MS spectra, including data normalization and attribute selection, to reduce the attributes to a smaller, less correlated set for machine learning studies. We then compared our rule building machine learning program, DataSqueezer, with commonly used association rules and decision tree algorithms. All used machine learning algorithms produced similar results that were consistent with expected properties for a second gas phase mechanism at the second peptide bond. Conclusion The results provide compelling evidence that we have identified underlying chemical properties in the data that suggest the existence of an additional gas phase mechanism for the second peptide bond. Thus, the methods described in this study provide a valuable approach for analyses of this kind in the future.

  16. Fabrication of fullerene nano-strucutres in mixed films and devices utilizing fullerene nano-structures

    Zhong, Yufei; Amassian, Aram; Tajima, Keisuke

    2017-01-01

    Embodiments provide methods for controlling crystallization of fullerene compounds in mixed films comprising one or more polymers. Methods can include depositing fullerene mixed films comprising one or more polymers on crystalline fullerene

  17. Fullerene C60 and graphene photosensibiles for photodynamic virus inactivation

    Belousova, I.; Hvorostovsky, A.; Kiselev, V.; Zarubaev, V.; Kiselev, O.; Piotrovsky, L.; Anfimov, P.; Krisko, T.; Muraviova, T.; Rylkov, V.; Starodubzev, A.; Sirotkin, A.; Grishkanich, A.; Kudashev, I.; Kancer, A.; Kustikova, M.; Bykovskaya, E.; Mayurova, A.; Stupnikov, A.; Ruzankina, J.; Afanasyev, M.; Lukyanov, N.; Redka, D.; Paklinov, N.

    2018-02-01

    A solid-phase photosensitizer based on aggregated C60 fullerene and graphene oxide for photodynamic inactivation of pathogens in biological fluids was studied. The most promising technologies of inactivation include the photodynamic effect, which consists in the inactivation of infectious agents by active oxygen forms (including singlet oxygen), formed when light is activated by the photosensitizer introduced into the plasma. Research shows features of solid-phase systems based on graphene and fullerene C60 oxide, which is a combination of an effective inactivating pathogens (for example, influenza viruses) reactive oxygen species formed upon irradiation of the photosensitizer in aqueous and biological fluids, a high photostability fullerene coatings and the possibility of full recovery photosensitizer from the biological environment after the photodynamic action.

  18. Extended Park's transformation for 2×3-phase synchronous machine and converter phasor model with representation of AC harmonics

    Knudsen, Hans

    1995-01-01

    A model of the 2×3-phase synchronous machine is presented using a new transformation based on the eigenvectors of the stator inductance matrix. The transformation fully decouples the stator inductance matrix, and this leads to an equivalent diagram of the machine with no mutual couplings...

  19. Synthesis and radiation resistance of fullerenes and fullerene derivatives

    Shilin, V. A., E-mail: shilin@pnpi.spb.ru; Lebedev, V. T.; Sedov, V. P.; Szhogina, A. A. [St. Petersburg Nuclear Physics Institute, National Research Centre “Kurchatov Institute” (Russian Federation)

    2016-07-15

    The parameters of an electric-arc facility for the synthesis of fullerenes and endohedral metallofullerenes are optimized. The resistance of C{sub 60} and C{sub 70} fullerenes and C{sub 60}(OH){sub 30} and C{sub 70}(OH){sub 30} fullerenols against neutron irradiation is studied. It is established that the radiation resistance of the fullerenes is higher than that of the fullerenols, but the radiation resistance of the Gd@C{sub 2n} endometallofullerenes is lower than that of the corresponding Gd@C{sub 2n}(OH){sub 38} fullerenols. The radiation resistance of mixtures of Me@C{sub 2n}(OH){sub 38} (Me = Gd, Tb, Sc, Fe, and Pr) endometallofullerenes with C{sub 60}(OH){sub 30} is determined. The factors affecting the radiation resistance of the fullerenes and fullerenols are discussed.

  20. Superconducting Fullerene Nanowhiskers

    Yoshihiko Takano

    2012-04-01

    Full Text Available We synthesized superconducting fullerene nanowhiskers (C60NWs by potassium (K intercalation. They showed large superconducting volume fractions, as high as 80%. The superconducting transition temperature at 17 K was independent of the K content (x in the range between 1.6 and 6.0 in K-doped C60 nanowhiskers (KxC60NWs, while the superconducting volume fractions changed with x. The highest shielding fraction of a full shielding volume was observed in the material of K3.3C60NW by heating at 200 °C. On the other hand, that of a K-doped fullerene (K-C60 crystal was less than 1%. We report the superconducting behaviors of our newly synthesized KxC60NWs in comparison to those of KxC60 crystals, which show superconductivity at 19 K in K3C60. The lattice structures are also discussed, based on the x-ray diffraction (XRD analyses.

  1. Numerical investigation of refrigeration machine compressor operation considering single-phase electric motor dynamic characteristics

    Baidak, Y.; Smyk, V.

    2017-08-01

    Using as the base the differential equations system which was presented in relative units for generalized electric motor of hermetic refrigeration compressor, mathematical model of the software for dynamic performance calculation of refrigeration machine compressors drive low-power asynchronous motors was developed. Performed on its ground calculations of the basic model of two-phase electric motor drive of hermetic compressor and the proposed newly developed model of the motor with single-phase stator winding, which is an alternative to the industrial motor winding, have confirmed the benefits of the motor with innovative stator winding over the base engine. Given calculations of the dynamic characteristics of compressor drive motor have permitted to determine the value of electromagnetic torque swinging for coordinating compressor and motor mechanical characteristics, and for taking them into consideration in choosing compressor elements construction materials. Developed and used in the process of investigation of refrigeration compressor drive asynchronous single-phase motor mathematical and software can be considered as an element of computer-aided design system for design of the aggregate of refrigeration compression unit refrigerating machine.

  2. Identifying seizure onset zone from electrocorticographic recordings: A machine learning approach based on phase locking value.

    Elahian, Bahareh; Yeasin, Mohammed; Mudigoudar, Basanagoud; Wheless, James W; Babajani-Feremi, Abbas

    2017-10-01

    Using a novel technique based on phase locking value (PLV), we investigated the potential for features extracted from electrocorticographic (ECoG) recordings to serve as biomarkers to identify the seizure onset zone (SOZ). We computed the PLV between the phase of the amplitude of high gamma activity (80-150Hz) and the phase of lower frequency rhythms (4-30Hz) from ECoG recordings obtained from 10 patients with epilepsy (21 seizures). We extracted five features from the PLV and used a machine learning approach based on logistic regression to build a model that classifies electrodes as SOZ or non-SOZ. More than 96% of electrodes identified as the SOZ by our algorithm were within the resected area in six seizure-free patients. In four non-seizure-free patients, more than 31% of the identified SOZ electrodes by our algorithm were outside the resected area. In addition, we observed that the seizure outcome in non-seizure-free patients correlated with the number of non-resected SOZ electrodes identified by our algorithm. This machine learning approach, based on features extracted from the PLV, effectively identified electrodes within the SOZ. The approach has the potential to assist clinicians in surgical decision-making when pre-surgical intracranial recordings are utilized. Copyright © 2017 British Epilepsy Association. Published by Elsevier Ltd. All rights reserved.

  3. Comparing the Device Physics and Morphology of Polymer Solar Cells Employing Fullerenes and Non-Fullerene Acceptors

    Bloking, Jason T.

    2014-04-23

    There is a need to find electron acceptors for organic photovoltaics that are not based on fullerene derivatives since fullerenes have a small band gap that limits the open-circuit voltage (VOC), do not absorb strongly and are expensive. Here, a phenylimide-based acceptor molecule, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), that can be used to make solar cells with VOC values up to 1.11 V and power conversion efficiencies up to 3.7% with two thiophene polymers is demonstrated. An internal quantum efficiency of 56%, compared to 75-90% for polymer-fullerene devices, results from less efficient separation of geminate charge pairs. While favorable energetic offsets in the polymer-fullerene devices due to the formation of a disordered mixed phase are thought to improve charge separation, the low miscibility (<5 wt%) of HPI-BT in polymers is hypothesized to prevent the mixed phase and energetic offsets from forming, thus reducing the driving force for charges to separate into the pure donor and acceptor phases where they can be collected. A small molecule electron acceptor, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), achieves efficiencies of 3.7% and open-circuit voltage values of 1.11 V in bulk heterojunction (BHJ) devices with polythiophene donor materials. The lower internal quantum efficiency (56%) in these non-fullerene acceptor devices is attributed to an absence of the favorable energetic offsets resulting from nanoscale mixing of donor and acceptor found in comparable fullerene-based devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Glycofullerenes: Sweet fullerenes vanquish viruses

    Vidal, Sébastien

    2016-01-01

    Fullerene-based dendritic structures coated with 120 sugars can be made in high yields in a relatively short sequence of reactions. The mannosylated compound is shown to inhibit Ebola infection in cells more efficiently than monofullerene-based glycoclusters.

  5. Power and phase monitoring system for the lower hybrid phased array heating system on ATC machine

    Reed, B.W.

    1975-01-01

    A four waveguide phased array slow wave structure has been constructed to couple microwave energy into plasma in the ATC Tokamac at Princeton. Theory has indicated that the coupling of power into the plasma column is a strong function of the imposed fourier spectrum at the antenna aperture. To optimize heating, and to verify theoretical results, a precision amplitude and phase monitoring system has been designed and constructed. The system data output is routed to an IBM 1800 computer where the fourier spectrum in n/sub parallel/ space is computed for discrete increments of time during an RF pulse. Computer output data is used to update the adjustment of transmission line parameters in between pulses

  6. On Internet Traffic Classification: A Two-Phased Machine Learning Approach

    Taimur Bakhshi

    2016-01-01

    Full Text Available Traffic classification utilizing flow measurement enables operators to perform essential network management. Flow accounting methods such as NetFlow are, however, considered inadequate for classification requiring additional packet-level information, host behaviour analysis, and specialized hardware limiting their practical adoption. This paper aims to overcome these challenges by proposing two-phased machine learning classification mechanism with NetFlow as input. The individual flow classes are derived per application through k-means and are further used to train a C5.0 decision tree classifier. As part of validation, the initial unsupervised phase used flow records of fifteen popular Internet applications that were collected and independently subjected to k-means clustering to determine unique flow classes generated per application. The derived flow classes were afterwards used to train and test a supervised C5.0 based decision tree. The resulting classifier reported an average accuracy of 92.37% on approximately 3.4 million test cases increasing to 96.67% with adaptive boosting. The classifier specificity factor which accounted for differentiating content specific from supplementary flows ranged between 98.37% and 99.57%. Furthermore, the computational performance and accuracy of the proposed methodology in comparison with similar machine learning techniques lead us to recommend its extension to other applications in achieving highly granular real-time traffic classification.

  7. Using machine-learning to optimize phase contrast in a low-cost cellphone microscope

    Wartmann, Rolf; Schadwinkel, Harald; Heintzmann, Rainer

    2018-01-01

    Cellphones equipped with high-quality cameras and powerful CPUs as well as GPUs are widespread. This opens new prospects to use such existing computational and imaging resources to perform medical diagnosis in developing countries at a very low cost. Many relevant samples, like biological cells or waterborn parasites, are almost fully transparent. As they do not exhibit absorption, but alter the light’s phase only, they are almost invisible in brightfield microscopy. Expensive equipment and procedures for microscopic contrasting or sample staining often are not available. Dedicated illumination approaches, tailored to the sample under investigation help to boost the contrast. This is achieved by a programmable illumination source, which also allows to measure the phase gradient using the differential phase contrast (DPC) [1, 2] or even the quantitative phase using the derived qDPC approach [3]. By applying machine-learning techniques, such as a convolutional neural network (CNN), it is possible to learn a relationship between samples to be examined and its optimal light source shapes, in order to increase e.g. phase contrast, from a given dataset to enable real-time applications. For the experimental setup, we developed a 3D-printed smartphone microscope for less than 100 $ using off-the-shelf components only such as a low-cost video projector. The fully automated system assures true Koehler illumination with an LCD as the condenser aperture and a reversed smartphone lens as the microscope objective. We show that the effect of a varied light source shape, using the pre-trained CNN, does not only improve the phase contrast, but also the impression of an improvement in optical resolution without adding any special optics, as demonstrated by measurements. PMID:29494620

  8. Kinetic neutron diffraction and SANS studies of phase formation in bioactive machinable glass ceramics

    Bentley, P M; Kilcoyne, S H; Bubb, N L; Ritter, C; Dewhurst, C D; Wood, D J

    2007-01-01

    Bioactive fluormica-fluorapatite glass-ceramic materials offer a very encouraging solution to the problem of efficient restoration and reconstruction of hard tissues. To produce material with the desired crystalline phases, a five-stage heat treatment must be performed. This thermal processing has a large impact on the microstructure and ultimately the final mechanical properties of the materials. We have examined the thermal processing of one of our most promising machinable biomaterials, using time-resolved small angle neutron scattering and neutron diffraction to study the nucleation and growth of crystallites. The processing route had already been optimized by studying the properties of quenched samples using x-ray diffraction, mechanical measurements and differential thermal analysis. However these results show that the heat treatment can be further optimized in terms of crystal nucleation, and we show that these techniques are the only methods by which a truly optimized thermal processing route may be obtained

  9. Automated discovery and construction of surface phase diagrams using machine learning

    Ulissi, Zachary W.; Singh, Aayush R.; Tsai, Charlie

    2016-01-01

    Surface phase diagrams are necessary for understanding surface chemistry in electrochemical catalysis, where a range of adsorbates and coverages exist at varying applied potentials. These diagrams are typically constructed using intuition, which risks missing complex coverages and configurations at potentials of interest. More accurate cluster expansion methods are often difficult to implement quickly for new surfaces. We adopt a machine learning approach to rectify both issues. Using a Gaussian process regression model, the free energy of all possible adsorbate coverages for surfaces is predicted for a finite number of adsorption sites. Our result demonstrates a rational, simple, and systematic approach for generating accurate free-energy diagrams with reduced computational resources. Finally, the Pourbaix diagram for the IrO_2(110) surface (with nine coverages from fully hydrogenated to fully oxygenated surfaces) is reconstructed using just 20 electronic structure relaxations, compared to approximately 90 using typical search methods. Similar efficiency is demonstrated for the MoS_2 surface.

  10. Fullerenes doped with metal halides

    Martin, T.P.; Heinebrodt, M.; Naeher, U.; Goehlich, H.; Lange, T.; Schaber, H.

    1993-01-01

    The cage-like structure of fullerenes is a challenge to every experimental to put something inside - to dope the fullerenes. In fact, the research team that first identified C 60 as a football-like molecule quickly succeeded in trapping metal atoms inside and in shrinking the cage around this atom by photofragmentation. In this paper we report the results of ''shrink-wrapping'' the fullerenes around metal halide molecules. Of special interest is the critical size (the minimum number of carbon atoms) that can still enclose the dopant. A rough model for the space available inside a carbon cage gives good agreement with the measured shrinking limits. (author). 8 refs, 6 figs

  11. Superconductivity in doped fullerenes

    Hebard, A.F.

    1992-01-01

    While there is not complete agreement on the microscopic mechanism of superconductivity in alkali-metal-doped C 60 , further research may well lead to the production of analogous materials that lose resistance at even higher temperatures. Carbon 60 is a fascinating and arrestingly beautiful molecule. With 12 pentagonal and 20 hexagonal faces symmetrically arrayed in a soccer-ball-like structure that belongs to the icosahedral point group, I h , its high symmetry alone invites special attention. The publication in September 1990 of a simple technique for manufacturing and concentrating macroscopic amounts of this new form of carbon announced to the scientific community that enabling technology had arrived. Macroscopic amounts of C 60 (and the higher fullerenes, such as C 70 and C 84 ) can now be made with an apparatus as simple as an arc furnace powered with an arc welding supply. Accordingly, chemists, physicists and materials scientists have joined forces in an explosion of effort to explore the properties of this unusual molecular building block. 23 refs., 6 figs

  12. Superconductivity in doped fullerenes

    Herbard, A.F.

    1996-01-01

    While there is not complete agreement on the microscopic mechanism of superconductivity in alkali-metal-doped C sup 0, further research may well lead to the production of analogous materials that lose resistance at even higher temperatures. Carbon 60 is a fascinating and arrestingly beautiful molecule. With 12 pentagonal and 20 hexagonal faces symmetrically arrayed in a soccer-ball-like structure that belongs to the icosahedral point group, I sub h, its high symmetry alone invites special attention. The publication in september 1990 of a simple technique for manufacturing and concentrating macroscopic amounts of this new form of carbon announced to the scientific community that enabling technology had arrived. Macroscopic amounts of C sub 6 sub 0 (and the higher fullerenes, such as C sub 7 sub 0 and C sub 8 sub 4) can now be made with an apparatus as simple as an arc furnace powered with an arc welding supply. Accordingly, chemists, physicists and materials scientists have joined forces in an explosion of effort to explore the properties of this unusual molecular building block. (author). 23 refs., 6 figs

  13. Broadband electroluminescence in fullerene crystals

    Werner, A.T.; Anders, J.; Byrne, H.J.; Maser, W.K.; Kaiser, M.; Mittelbach, A.; Roth, S.

    1993-01-01

    The observation of electroluminescence from crystalline fullerenes is described. A broad band emission spectrum, extending from 400nm to 1100nm is observed. The spectrum has a primary maximum at 920nm and a weaker feature centered on 420nm. The spectral characteristics are independent of the applied field and the longer wavelength region is identical to that measured in the high excitation density photoluminescence spectrum. In addition, the electroluminescence intensity increases with the cube of the injection current, strengthening the association to the nonlinear phenomena observed in the highly excited state of fullerenes. (orig.)

  14. Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

    Chua, Yang-Choo

    2010-11-23

    Wereport a small angle neutron scattering study of the thermodynamics of a polymer mixture in the presence of nanoparticles, both in equilibrium and during phase separation. Neutron cloud point measurements and random phase approximation (RPA) analysis demonstrate that 1-2 mass % of C60 fullerenes destabilizes a highly interacting mixture of poly(tetramethyl bisphenol A polycarbonate) and deuterated polystyrene (TMPC/PSd). We unequivocally corroborate these findings with time-resolved temperature jump experiments that, in identical conditions, result in phase separation for the nanocomposite and stability for the neat polymer mixture. At lower C 60 loadings (viz. 0.2-0.5 mass %), stabilization of the mixture is observed. The nonmonotonic variation of the spinodal temperature with fullerene addition suggests a competitive interplay of asymmetric component interactions and nanoparticle dispersion. The stability line shift depends critically on particle dispersion and vanishes upon nanoparticle agglomeration. © 2010 American Chemical Society.

  15. Effect of higher spatial harmonics on properties of six-phase induction machine fed by unbalanced voltages

    Schreier, Luděk; Bendl, Jiří; Chomát, Miroslav

    2015-01-01

    Roč. 97, č. 2 (2015), s. 155-164 ISSN 0948-7921 R&D Projects: GA ČR GA13-35370S Institutional support: RVO:61388998 Keywords : six-phase induction machine * symmetrical components * spatial harmonics Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 0.662, year: 2015

  16. Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

    Fayed, Hassan E.; Ragab, Saad

    2015-01-01

    A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm) to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD)-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction) determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

  17. Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

    Hassan Fayed

    2015-03-01

    Full Text Available A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

  18. Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

    Fayed, Hassan E.

    2015-03-30

    A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm) to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD)-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction) determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

  19. Electromagnetic Comparison of 3-, 5- and 7-phases Permanent-Magnet Synchronous Machines : Mild Hybrid Traction Application

    D. Ouamara

    2016-09-01

    Full Text Available Authors compare the electromagnetic performances of three multi-phases permanent-magnet (PM synchronous machines (PMSM for Mild Hybridtraction application. This comparison was made using two-dimensional (2-D numerical simulations in transient magnetic with eddy-current reaction field in the PMs. The best machine was determined using an energetic analysis (i.e., losses, torque and efficiency according specifications. In this study, the non-overlapping winding with double layer (i.e. all teeth wound type was used. The winding synthesis is based on the "Star of slots" method as well as the Fourier series decomposition of the magnetomotive force (MMF.

  20. Fabrication of fullerene nano-strucutres in mixed films and devices utilizing fullerene nano-structures

    Zhong, Yufei

    2017-04-06

    Embodiments provide methods for controlling crystallization of fullerene compounds in mixed films comprising one or more polymers. Methods can include depositing fullerene mixed films comprising one or more polymers on crystalline fullerene substrates and annealing the deposited mixed films. Methods can further include one or more of exposing the annealed mixed film to UV light, and washing the annealed mixed film with a solvent. Fullerene compounds can include one or more of PCBM, PCBNB, and PCBA.

  1. Parallel phase model : a programming model for high-end parallel machines with manycores.

    Wu, Junfeng (Syracuse University, Syracuse, NY); Wen, Zhaofang; Heroux, Michael Allen; Brightwell, Ronald Brian

    2009-04-01

    This paper presents a parallel programming model, Parallel Phase Model (PPM), for next-generation high-end parallel machines based on a distributed memory architecture consisting of a networked cluster of nodes with a large number of cores on each node. PPM has a unified high-level programming abstraction that facilitates the design and implementation of parallel algorithms to exploit both the parallelism of the many cores and the parallelism at the cluster level. The programming abstraction will be suitable for expressing both fine-grained and coarse-grained parallelism. It includes a few high-level parallel programming language constructs that can be added as an extension to an existing (sequential or parallel) programming language such as C; and the implementation of PPM also includes a light-weight runtime library that runs on top of an existing network communication software layer (e.g. MPI). Design philosophy of PPM and details of the programming abstraction are also presented. Several unstructured applications that inherently require high-volume random fine-grained data accesses have been implemented in PPM with very promising results.

  2. Automatic Gleason grading of prostate cancer using quantitative phase imaging and machine learning

    Nguyen, Tan H.; Sridharan, Shamira; Macias, Virgilia; Kajdacsy-Balla, Andre; Melamed, Jonathan; Do, Minh N.; Popescu, Gabriel

    2017-03-01

    We present an approach for automatic diagnosis of tissue biopsies. Our methodology consists of a quantitative phase imaging tissue scanner and machine learning algorithms to process these data. We illustrate the performance by automatic Gleason grading of prostate specimens. The imaging system operates on the principle of interferometry and, as a result, reports on the nanoscale architecture of the unlabeled specimen. We use these data to train a random forest classifier to learn textural behaviors of prostate samples and classify each pixel in the image into different classes. Automatic diagnosis results were computed from the segmented regions. By combining morphological features with quantitative information from the glands and stroma, logistic regression was used to discriminate regions with Gleason grade 3 versus grade 4 cancer in prostatectomy tissue. The overall accuracy of this classification derived from a receiver operating curve was 82%, which is in the range of human error when interobserver variability is considered. We anticipate that our approach will provide a clinically objective and quantitative metric for Gleason grading, allowing us to corroborate results across instruments and laboratories and feed the computer algorithms for improved accuracy.

  3. Characterizing the Polymer:Fullerene Intermolecular Interactions

    Sweetnam, Sean

    2016-02-02

    Polymer:fullerene solar cells depend heavily on the electronic coupling of the polymer and fullerene molecular species from which they are composed. The intermolecular interaction between the polymer and fullerene tends to be strong in efficient photovoltaic systems, as evidenced by efficient charge transfer processes and by large changes in the energetics of the polymer and fullerene when they are molecularly mixed. Despite the clear presence of these strong intermolecular interactions between the polymer and fullerene, there is not a consensus on the nature of these interactions. In this work, we use a combination of Raman spectroscopy, charge transfer state absorption, and density functional theory calculations to show that the intermolecular interactions do not appear to be caused by ground state charge transfer between the polymer and fullerene. We conclude that these intermolecular interactions are primarily van der Waals in nature. © 2016 American Chemical Society.

  4. OPTIMIZATION OF MAGNETIZATION AND MAGNATION REGIMES OF STOPPED THREE-PHASE SYNCHRONOUS MACHINE

    V. A. VOLKOV

    2018-05-01

    Full Text Available Purpose. Investigation and optimization (minimization of electric energy losses in a stopped synchronous machine with a thyristor exciter under conditions of its magnetization and demagnetization. Methodology. Operator and variational calculus, mathematical analysis and simulation computer simulation. Findings. The mathematical description of the system under study is developed: "thyristor exciter – stopped synchronous machine", which represents the analytical dependencies for electromagnetic processes, as well as the total power and energy losses in the system under magnetization and demagnetization regimes of the synchronous machine. The optimal time functions for changing the flux linkages of the damper winding and the excitation current of the stopped synchronous machine, in which they are minimized by energy in the system under investigation when the machine is magnetized and demagnetized. The dependences of the total energy losses in the system under study on the durations of the magnetization and demagnetization times of the machine are calculated, and their comparison is compared for different types (linear, parabolic and proposed optimal of the trajectories of the change of the linkage, as well as for a linear and exponential change in the excitation current of the machine. Analytic dependencies are obtained using the calculations of electromagnetic and energy transient processes in the "thyristor exciter – stopped synchronous machine" system under the considered types of variation of flux linkage and excitation current of the machine. Originality. It consists in finding the optimal trajectories of the time variation of the excitation current of a stopped synchronous machine and the optimal durations of its magnetization and demagnetization times, which ensure minimization of energy losses in the system "thyristor exciter – stopped synchronous machine". Practical value. It consists in reducing unproductive energy losses in

  5. Biochemical activity of fullerenes and related derivatives

    Huczko, A.; Lange, H.; Calko, E.

    1999-01-01

    An astonishing scientific interest, embodied in over 15000 research articles so far, has been encountered since 1985 when fullerenes were discovered. From new superconductors to a rich electrochemistry and reaction chemistry, fullerene nanostructures continue to excite the scientific world, and new findings continue at record pace. This review presents many examples of the biochemical activities of fullerenes and derivatives, e. g. cytotoxic activity, selective DNA cleavage and antiviral activity against HIV. We also present some results of our testing which show that, despite its chemical and biochemical activity, fullerene matter does not present any health hazard directly related to skin irritation and allergic risks. (author)

  6. An improved excitation control technique of three-phase induction machine operating as dual winding generator for micro-wind domestic application

    Chatterjee, Arunava; Chatterjee, Debashis

    2015-01-01

    Highlights: • A three-phase induction machine working as single phase generator is studied. • The generator is assisted by an inverter and photovoltaic panel for excitation. • Proposed control involves operating the machine as balanced two-phase generator. • Torque pulsations associated with unbalanced phase currents are minimized. • The generator can be used for grid-isolated micro-wind power generation. - Abstract: Single-phase generation schemes are widely utilized for harnessing wind power in remote and grid secluded applications. This paper presents a novel control methodology for a three-phase induction machine working as a single-phase dual winding induction generator. Three-phase induction machines providing single-phase output with proper control strategy can be beneficial in grid secluded micro-wind energy conversion systems compared to single-phase induction generators. Three-phase induction machines operating in single-phase mode are mostly excited asymmetrically to provide single-phase power leading to unbalanced current flow in the stator windings causing heating and insulation breakdown. The asymmetrical excitation also initiates torque pulsations which results in additional stress and vibration at the machine shaft and bearings degrading the machine performance. The proposed control is chiefly aimed to minimize this unbalance. The variable excitation required for the proposed generator is provided through a single-phase inverter with photovoltaic panels. The suitability for such a generator along with its control is tested with appropriate simulations and experimental results. The induction generator with the proposed control strategy is expected to be useful in remote and grid isolated households as a standalone source of single-phase electrical power

  7. Innovative grinding wheel design for cost-effective machining of advanced ceramics. Phase I, final report

    Licht, R.H.; Ramanath, S.; Simpson, M.; Lilley, E.

    1996-02-01

    Norton Company successfully completed the 16-month Phase I technical effort to define requirements, design, develop, and evaluate a next-generation grinding wheel for cost-effective cylindrical grinding of advanced ceramics. This program was a cooperative effort involving three Norton groups representing a superabrasive grinding wheel manufacturer, a diamond film manufacturing division and a ceramic research center. The program was divided into two technical tasks, Task 1, Analysis of Required Grinding Wheel Characteristics, and Task 2, Design and Prototype Development. In Task 1 we performed a parallel path approach with Superabrasive metal-bond development and the higher technical risk, CVD diamond wheel development. For the Superabrasive approach, Task 1 included bond wear and strength tests to engineer bond-wear characteristics. This task culminated in a small-wheel screening test plunge grinding sialon disks. In Task 2, an improved Superabrasive metal-bond specification for low-cost machining of ceramics in external cylindrical grinding mode was identified. The experimental wheel successfully ground three types of advanced ceramics without the need for wheel dressing. The spindle power consumed by this wheel during test grinding of NC-520 sialon is as much as to 30% lower compared to a standard resin bonded wheel with 100 diamond concentration. The wheel wear with this improved metal bond was an order of magnitude lower than the resin-bonded wheel, which would significantly reduce ceramic grinding costs through fewer wheel changes for retruing and replacements. Evaluation of ceramic specimens from both Tasks 1 and 2 tests for all three ceramic materials did not show evidence of unusual grinding damage. The novel CVD-diamond-wheel approach was incorporated in this program as part of Task 1. The important factors affecting the grinding performance of diamond wheels made by CVD coating preforms were determined.

  8. Vibrational Spectra of Tetrahedral Fullerenes.

    Cheng; Li; Tang

    1999-01-01

    From the topological structures of the following classes of tetrahedral fullerenes-(1) Cn(h, h; -i, i), Cn(h, 0; -i, 2i), Cn(2h + i, -h + i; i, i), Cn(h - i, h + 2i; -i, 2i), and Cn(h, i; 0, i) for Td symmetry; (2) Cn(h, k; k, h), Cn(h, k; -h - k, k), and Cn(h, k; -h, h + k) for Th symmetry; (3) Cn(h, k; i, j) for T symmetry-we have obtained theoretically the formulas for the numbers of their IR and Raman active modes for all of the tetrahedral fullerenes through the decomposition of their nuclear motions into irreducible representations by means of group theory. Copyright 1999 Academic Press.

  9. Photodiodes based on fullerene semiconductor

    Voz, C.; Puigdollers, J.; Cheylan, S.; Fonrodona, M.; Stella, M.; Andreu, J.; Alcubilla, R.

    2007-01-01

    Fullerene thin films have been deposited by thermal evaporation on glass substrates at room temperature. A comprehensive optical characterization was performed, including low-level optical absorption measured by photothermal deflection spectroscopy. The optical absorption spectrum reveals a direct bandgap of 2.3 eV and absorption bands at 2.8 and 3.6 eV, which are related to the creation of charge-transfer excitons. Various photodiodes on indium-tin-oxide coated glass substrates were also fabricated, using different metallic contacts in order to compare their respective electrical characteristics. The influence of a poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) buffer layer between the indium-tin-oxide electrode and the fullerene semiconductor is also demonstrated. These results are discussed in terms of the workfunction for each electrode. Finally, the behaviour of the external quantum efficiency is analyzed for the whole wavelength spectrum

  10. Photophysics of fullerenes: Thermionic emission

    Compton, R.N.; Tuinman, A.A.; Huang, J.

    1996-01-01

    Multiphoton ionization of fullerenes using long-pulse length lasers occurs mainly through vibrational autoionization. In many cases the laser ionization can be described as thermionic in analogy to the boiling off of electrons from a filament. Thermionic emission manifests itself as a delayed emission of electrons following pulsed laser excitation. Klots has employed quasiequilibrium theory to calculate rate constants for thermionic emission from fullerenes which seem to quantitatively account for the observed delayed emission times and the measured electron energy distributions. The theory of Klots also accounts for the thermionic emission of C 60 excited by a low power CW Argon Ion laser. Recently Klots and Compton have reviewed the evidence for thermionic emission from small aggregates where mention was also made of experiments designed to determine the effects of externally applied electric fields on thermionic emission rates. The authors have measured the fullerene ion intensity as a function of the applied electric field and normalized this signal to that produced by single photon ionization of an atom in order to correct for all collection efficiency artifacts. The increase in fullerene ion signal relative to that of Cs + is attributed to field enhanced thermionic emission. From the slope of the Schottky plot they obtain a temperature of approximately 1,000 K. This temperature is comparable to but smaller than that estimated from measurements of the electron kinetic energies. This result for field enhanced thermionic emission is discussed further by Klots and Compton. Thermionic emission from neutral clusters has long been known for autodetachment from highly excited negative ions. Similarly, electron attachment to C 60 in the energy range from 8 to 12 eV results in C 60 anions with lifetimes in the range of microseconds. Quasiequilibrium theory (QET) calculations are in reasonable accord with these measurements

  11. Photophysics of fullerenes: Thermionic emission

    Compton, R.N. [Univ. of Tennessee, Knoxville, TN (United States)]|[Oak Ridge National Lab., TN (United States); Tuinman, A.A. [Univ. of Tennessee, Knoxville, TN (United States); Huang, J. [Ames Lab., IA (United States)

    1996-09-01

    Multiphoton ionization of fullerenes using long-pulse length lasers occurs mainly through vibrational autoionization. In many cases the laser ionization can be described as thermionic in analogy to the boiling off of electrons from a filament. Thermionic emission manifests itself as a delayed emission of electrons following pulsed laser excitation. Klots has employed quasiequilibrium theory to calculate rate constants for thermionic emission from fullerenes which seem to quantitatively account for the observed delayed emission times and the measured electron energy distributions. The theory of Klots also accounts for the thermionic emission of C{sub 60} excited by a low power CW Argon Ion laser. Recently Klots and Compton have reviewed the evidence for thermionic emission from small aggregates where mention was also made of experiments designed to determine the effects of externally applied electric fields on thermionic emission rates. The authors have measured the fullerene ion intensity as a function of the applied electric field and normalized this signal to that produced by single photon ionization of an atom in order to correct for all collection efficiency artifacts. The increase in fullerene ion signal relative to that of Cs{sup +} is attributed to field enhanced thermionic emission. From the slope of the Schottky plot they obtain a temperature of approximately 1,000 K. This temperature is comparable to but smaller than that estimated from measurements of the electron kinetic energies. This result for field enhanced thermionic emission is discussed further by Klots and Compton. Thermionic emission from neutral clusters has long been known for autodetachment from highly excited negative ions. Similarly, electron attachment to C{sub 60} in the energy range from 8 to 12 eV results in C{sub 60} anions with lifetimes in the range of microseconds. Quasiequilibrium theory (QET) calculations are in reasonable accord with these measurements.

  12. The quest for inorganic fullerenes

    Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Ganteför, Gerd, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Physics, University of Konstanz, D-78457 Konstanz (Germany); Park, Eun Ji; Kim, Young Dok, E-mail: gerd.gantefoer@uni-konstanz.de, E-mail: ydkim91@skku.edu [Department of Chemistry, Sungkyunkwan University, 440-746 Suwon (Korea, Republic of); Seo, Hyun Ook [Center for Free-Electron Laser Science/DESY, D-22607 Hamburg (Germany); Idrobo, Juan-Carlos [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117575 (Singapore)

    2015-10-07

    Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

  13. Brain Machine Interfaces for Robotic Control in Space Applications, Phase I

    National Aeronautics and Space Administration — This SBIR will study the application of a brain machine interface (BMI) to enable crew to remotely operate and monitor robots from inside a flight vehicle, habitat...

  14. Open Source Parallel Image Analysis and Machine Learning Pipeline, Phase I

    National Aeronautics and Space Administration — Continuum Analytics proposes a Python-based open-source data analysis machine learning pipeline toolkit for satellite data processing, weather and climate data...

  15. Auto-Suggest Capability via Machine Learning in SMART NAS, Phase I

    National Aeronautics and Space Administration — We build machine learning capabilities that enables the Shadow Mode Assessment using Realistic Technologies for the NAS (SMART NAS) system to synthesize, optimize,...

  16. Machine Learning of Multi-Modal Influences on Airport Delays, Phase I

    National Aeronautics and Space Administration — We build machine learning capabilities that enables improved prediction of off-block times and wheels up times which are critical inputs to NAS stakeholders. NextGen...

  17. Automated Parallel Computing Tools for Multicore Machines and Clusters, Phase I

    National Aeronautics and Space Administration — We propose to improve productivity of high performance computing for applications on multicore computers and clusters. These machines built from one or more chips...

  18. Fullerenes as a new type of ligands for transition metals

    Sokolov, V.I.

    2007-01-01

    Fullerenes are considered as ligands in transition metal π-complexes. The following aspects are discussed: metals able to form π-complexes with fullerenes (Zr, V, Ta, Mo, W, Re, Ru, etc.); haptic numbers; homo- and hetero ligand complexes; ligand compatibility with fullerenes for different metals, including fullerenes with a disturbed structure of conjugation [ru

  19. Fullerene-Related Nanocarbons and Their Applications

    Geng, Junfeng; Miyazawa, Kun'ichi; Hu, Zheng

    2012-01-01

    . From the vast amount of research that has been conducted over the last two decades, it is now apparent that these nanomaterials, notably, carbon nanotubes, carbon-based nanoparticles, graphene, fullerene and fullerene derivatives promise very distinct applications and will add great value to industries...

  20. Fullerenic structures and such structures tethered to carbon materials

    Goel, Anish; Howard, Jack B.; Vander Sande, John B.

    2010-01-05

    The fullerenic structures include fullerenes having molecular weights less than that of C.sub.60 with the exception of C.sub.36 and fullerenes having molecular weights greater than C.sub.60. Examples include fullerenes C.sub.50, C.sub.58, C.sub.130, and C.sub.176. Fullerenic structure chemically bonded to a carbon surface is also disclosed along with a method for tethering fullerenes to a carbon material. The method includes adding functionalized fullerene to a liquid suspension containing carbon material, drying the suspension to produce a powder, and heat treating the powder.

  1. A plasma arc reactor for fullerene research

    Anderson, T. T.; Dyer, P. L.; Dykes, J. W.; Klavins, P.; Anderson, P. E.; Liu, J. Z.; Shelton, R. N.

    1994-12-01

    A modified Krätschmer-Huffman reactor for the mass production of fullerenes is presented. Fullerene mass production is fundamental for the synthesis of higher and endohedral fullerenes. The reactor employs mechanisms for continuous graphite-rod feeding and in situ slag removal. Soot collects into a Soxhlet extraction thimble which serves as a fore-line vacuum pump filter, thereby easing fullerene separation from soot. Thermal gravimetric analysis (TGA) for yield determination is reported. This TGA method is faster and uses smaller samples than Soxhlet extraction methods which rely on aromatic solvents. Production of 10 g of soot per hour is readily achieved utilizing this reactor. Fullerene yields of 20% are attained routinely.

  2. The first stable lower fullerene: C36

    Piskoti, C.; Zettl, A.

    1998-01-01

    A new pure carbon material, presumably composed of thirty six carbon atom molecules, has been synthesized and isolated in milligram quantities. It appears as though these molecules have a closed cage structure making them the smallest member of a new class of molecules known as fullerenes, most notably of which is the soccer ball shaped C 60 . However, unlike other known fullerenes, any closed, fullerene-like C 36 cage will necessarily contain fused pentagon rings. Therefore, this molecule apparently violates the isolated pentagon rule, a criterion which requires isolated pentagons for stability in fullerene molecules. Striking parallels between this problem and the synthesis of other fused five member fused ring systems will be discussed. Also, it will be shown that certain biological structures known as clathrin behave in a manner which gives excellent predictions about fullerenes and nanotubes. These predictions help to explain the presence of abundant quantities of C 36 in arced graphite soot. copyright 1998 American Institute of Physics

  3. Fullerene-biomolecule conjugates and their biomedicinal applications.

    Yang, Xinlin; Ebrahimi, Ali; Li, Jie; Cui, Quanjun

    2014-01-01

    Fullerenes are among the strongest antioxidants and are characterized as "radical sponges." The research on biomedicinal applications of fullerenes has achieved significant progress since the landmark publication by Friedman et al in 1993. Fullerene-biomolecule conjugates have become an important area of research during the past 2 decades. By a thorough literature search, we attempt to update the information about the synthesis of different types of fullerene-biomolecule conjugates, including fullerene-containing amino acids and peptides, oligonucleotides, sugars, and esters. Moreover, we also discuss in this review recently reported data on the biological and pharmaceutical utilities of these compounds and some other fullerene derivatives of biomedical importance. While within the fullerene-biomolecule conjugates, in which fullerene may act as both an antioxidant and a carrier, specific targeting biomolecules conjugated to fullerene will undoubtedly strengthen the delivery of functional fullerenes to sites of clinical interest.

  4. THERMOOXIDATIVE STABILITY OF JET FUEL WITH FULLERENES AS AN ADDITIVE

    С.В. Іванов

    2012-10-01

    Full Text Available  Heating of fuels in presence of oxygen reduces their thermal-oxidative stability, leads to a solid phase in the form of sludge and tar, which, sedimented at the details of the fuel system, change its characteristics and cause contamination of fuel filters and injectors, spool control sticking, reduce efficiency of heat exchangers. Nanomaterials, performance of which is considerably superior to the natural materials, are the basis for the movement of humanity's progress. Therefore, with a develpoment of technologies it has become necessary to carry out a research of modified additives – fullerens, to improve an oxidative stability of fuels. We have carried out an investigation of thermal-oxidative stability of fuel RT as a function of additive C60 concentration. The results has shown that even 0,043 g/l fullerene addition as an antioxidant, reduces the amount of sediment in the fuel almost by half. Usage of fullerenes for improvement of petroleum products performance properties is a promising area of research.

  5. Iron-fullerene mixture plasma

    Biri, S.; Fekete, E.

    2004-01-01

    Complete text of publication follows. In many laboratories new materials useful for nanotechnology and medical applications are searched and studied. In the ECR labo- ratory one of our future goals is to produce endohedral fullerene molecules (e.g Fe C 60 ) in large quantity. If this comes true, it will be possible to make building blocks for nanoparts, an ultra-contrast medium of MRI, and a magnetic nano-particle for treatment of cancer. For this experiment some modifications were carried out on the ATOMKI-ECRIS [1]. The waveguide of the 14.5 GHz microwave generator was divided in order to couple very low powers (1 watt or less) into the plasma. The C 60 component of the plasma was produced by using a simple oven. Among known methods (oven, sputtering, electron bombardment, compounds containing Fe), we have chosen the evaporation of ferrocene [Fe(C 5 H 5 ) 2 ] powder to introduce Fe atoms into the plasma. The ferrocene chamber was connected to one of the two gas feeding lines and the evaporation rate was controlled by needle valve. The extraction voltage had to be kept as low as 600V, because of the low mass-energy product of our bending magnet. First we developed independently the rough working conditions for single-charged dense iron and fullerene plasmas. Then a clean fullerene plasma was made. The temperature of the oven was about 450 deg C. The bending magnet was set to the C 60 peak (M=720) and about 50-100 nA intensity of single-charged fullerene peak was obtained. Then the magnet was set to the position of the searched Fe C 60 or FeC 60 peak (M=776) and the ferrocene valve was opened. A very difficult and long tuning followed. Finally we found a new large peak with higher mass than C 60 . In Figure 1 the centre of the new big peak on the right side is located at M=776 which corresponds to FeC 60 and/or Fe C 60 molecules. The peak is wide and shows some structure. We think it may contain impurities attached to the C 58 , C 59 , C 60 and FeC 60 molecules. We

  6. Implementation of GPS Machine Controlled Grading - Phase III (2008) and Technical Training

    2009-02-01

    Beginning in 2006, WisDOT and the Construction Material and Support Center (CMSC) at UW-Madison worked together to develop the specifications and the QA/QC procedures for GPS machine guidance on highway grading projects. These specifications and proc...

  7. Fullerene C[sub 60

    Koruga, D; Hameroff, S; Sundareshan, M [Univ. of Arizona, Tucson, AZ (United States); Withers, J; Loutfy, R [MER Corp., Tucson, AZ (United States)

    1993-01-01

    This book, one of the first to be published in the exciting field of fullerenes, includes a short history of scientific discovery, as well as one possible answer to the question: for what purposes can C[sub 60] be utilized. The book opens with a review of the life of Buckminster Fuller. Modern history of fivefold symmetry and the icosahedron began between 1984 and 1985, when Shechtman and his research team opened a new branch in crystallography (fivefold symmetry) and when the Kroto/Smalley research team discovered the C[sub 60] molecule (truncated icosahedron). Production of solid C[sub 60] by the Huffman/Kraeschner research team in 1990 provided a new stimulus for research by producing C[sub 60] in macroscopic amounts for use by the scientific and technological community. This achievement led to developments such as Koruga's August 1992 creation of the dimer C[sub 116] using scanning tunneling engineering and Loutfy's hydrogenation of C[sub 60] and construction of the first Ni/C[sub 60] rechargeable batteries in December 1992. New inventions based on C[sub 60] will continue to be forthcoming, particularly in the areas of superconductivity, quantum devices, and molecular electronic devices. Discovery of the C[sub 60] molecule (Kroto/Smalley), production of solid C[sub 60] (Huffman/Kraeschmer) and technological inventions such as C[sub 116] (Koruga) have been chance discoveries. A short history of these discoveries is detailed in the book along with the results of the authors' Fullerene research efforts, including atomic resolution images of Fullerene C[sub 60], Ni/C[sub 60] batteries, nanotechnology of C[sub 60], comparison of C[sub 60] with biological systems, and others. As Fullerene C[sub 60] will require control engineering, an overview of control systems, in particular, general and optimal control of the Schroedinger equation, is contained. Some experimental and theoretical work of other researchers are also presented. 140 figs., 4 tabs., 342 refs.

  8. Boron Fullerenes: A First-Principles Study

    Gonzalez Szwacki Nevill

    2007-01-01

    Full Text Available AbstractA family of unusually stable boron cages was identified and examined using first-principles local-density functional method. The structure of the fullerenes is similar to that of the B12icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made. We show that the most stable boron sheets are not necessarily precursors of very stable boron cages. Our finding is a step forward in the understanding of the structure of the recently produced boron nanotubes.

  9. Hydrogenated fullerenes in space: FT-IR spectra analysis

    El-Barbary, A. A.

    2016-01-01

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C 20 and C 60 fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H 2 molecule at peak around 4440 cm −1 . However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  10. Using the Relevance Vector Machine Model Combined with Local Phase Quantization to Predict Protein-Protein Interactions from Protein Sequences

    Ji-Yong An

    2016-01-01

    Full Text Available We propose a novel computational method known as RVM-LPQ that combines the Relevance Vector Machine (RVM model and Local Phase Quantization (LPQ to predict PPIs from protein sequences. The main improvements are the results of representing protein sequences using the LPQ feature representation on a Position Specific Scoring Matrix (PSSM, reducing the influence of noise using a Principal Component Analysis (PCA, and using a Relevance Vector Machine (RVM based classifier. We perform 5-fold cross-validation experiments on Yeast and Human datasets, and we achieve very high accuracies of 92.65% and 97.62%, respectively, which is significantly better than previous works. To further evaluate the proposed method, we compare it with the state-of-the-art support vector machine (SVM classifier on the Yeast dataset. The experimental results demonstrate that our RVM-LPQ method is obviously better than the SVM-based method. The promising experimental results show the efficiency and simplicity of the proposed method, which can be an automatic decision support tool for future proteomics research.

  11. Porous polymer monoliths functionalized through copolymerization of a C60 fullerene-containing methacrylate monomer for highly efficient separations of small molecules

    Chambers, Stuart D.; Holcombe, Thomas W.; Švec, František; Frechet, Jean

    2011-01-01

    been prepared and their chromatographic performance have been tested for the separation of small molecules in the reversed phase. While addition of the C60-fullerene monomer to the glycidyl methacrylate-based monolith enhanced column efficiency 18-fold

  12. Recent progresses in application of fullerenes in cosmetics.

    Lens, Marko

    2011-08-01

    Cosmetic industry is a fast growing industry with the continuous development of new active ingredients for skin care products. Fullerene C(60) and its derivates have been subject of intensive research in the last few years. Fullerenes display a wide range of different biological activities. Strong antioxidant capacities and effective quenching radical oxygen species (ROS) made fullerenes suitable active compounds in the formulation of skin care products. Published evidence on biological activities of fullerenes relevant for their application in cosmetics use and examples of published patents are presented. Recent trends in the use of fullerenes in topical formulations and patents are reviewed. Future investigations covering application of fullerenes in skin care are discussed.

  13. Diazo compounds in the chemistry of fullerenes

    Tuktarov, Airat R; Dzhemilev, Usein M

    2010-01-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  14. Diazo compounds in the chemistry of fullerenes

    Tuktarov, Airat R.; Dzhemilev, Usein M.

    2010-09-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  15. Diazo compounds in the chemistry of fullerenes

    Tuktarov, Airat R; Dzhemilev, Usein M [Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, Ufa (Russian Federation)

    2010-09-14

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  16. Characterizing the Polymer:Fullerene Intermolecular Interactions

    Sweetnam, Sean; Vandewal, Koen; Cho, Eunkyung; Risko, Chad; Coropceanu, Veaceslav; Salleo, Alberto; Bredas, Jean-Luc; McGehee, Michael D.

    2016-01-01

    the polymer and fullerene, there is not a consensus on the nature of these interactions. In this work, we use a combination of Raman spectroscopy, charge transfer state absorption, and density functional theory calculations to show that the intermolecular

  17. Packing and Disorder in Substituted Fullerenes

    Tummala, Naga Rajesh; Elroby, Shaaban Ali Kamel; Aziz, Saadullah G.; Risko, Chad; Coropceanu, Veaceslav; Bredas, Jean-Luc

    2016-01-01

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous

  18. Combatting nonlinear phase noise in coherent optical systems with an optimized decision processor based on machine learning

    Wang, Danshi; Zhang, Min; Cai, Zhongle; Cui, Yue; Li, Ze; Han, Huanhuan; Fu, Meixia; Luo, Bin

    2016-06-01

    An effective machine learning algorithm, the support vector machine (SVM), is presented in the context of a coherent optical transmission system. As a classifier, the SVM can create nonlinear decision boundaries to mitigate the distortions caused by nonlinear phase noise (NLPN). Without any prior information or heuristic assumptions, the SVM can learn and capture the link properties from only a few training data. Compared with the maximum likelihood estimation (MLE) algorithm, a lower bit-error rate (BER) is achieved by the SVM for a given launch power; moreover, the launch power dynamic range (LPDR) is increased by 3.3 dBm for 8 phase-shift keying (8 PSK), 1.2 dBm for QPSK, and 0.3 dBm for BPSK. The maximum transmission distance corresponding to a BER of 1 ×10-3 is increased by 480 km for the case of 8 PSK. The larger launch power range and longer transmission distance improve the tolerance to amplitude and phase noise, which demonstrates the feasibility of the SVM in digital signal processing for M-PSK formats. Meanwhile, in order to apply the SVM method to 16 quadratic amplitude modulation (16 QAM) detection, we propose a parameter optimization scheme. By utilizing a cross-validation and grid-search techniques, the optimal parameters of SVM can be selected, thus leading to the LPDR improvement by 2.8 dBm. Additionally, we demonstrate that the SVM is also effective in combating the laser phase noise combined with the inphase and quadrature (I/Q) modulator imperfections, but the improvement is insignificant for the linear noise and separate I/Q imbalance. The computational complexity of SVM is also discussed. The relatively low complexity makes it possible for SVM to implement the real-time processing.

  19. Phase transformations during machining and properties of surface layers in zirconium dioxide ceramics

    Grigor'ev, O.N.; Krivoshej, G.S.; Stel'mashenko, N.A.; Trefilov, V.I.; Shevchenko, A.V.

    1991-01-01

    The methods of X-ray allow studying phase composition and inner stresses in the surface layers of partially stabilized zirconium dioxide after mashining. It is shown that under conditions of abrasive treatment transitions from tetragonal into rhomboedric and monoclinic phases initiate. As a result of phase transitions fields of compressible stresses achieving 900 MPa under grinding with ACM abrasive are created on the surface. An essential increase of hardness due to growth of the brittle fauilure resistance and deformation hardening is revealed

  20. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun'ichi

    2015-12-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C60) and fullerene nanowhiskers (FNWs). C60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution. It is likely that the C60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C60. The theoretical simulations showed the bonding distance between C60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val changed a little by C60. In our study Try and Tyr were hardly adsorbed by C60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides.

  1. Adsorption of amino acids by fullerenes and fullerene nanowhiskers

    Hashizume, Hideo; Hirata, Chika; Fujii, Kazuko; Miyazawa, Kun’ichi

    2015-01-01

    We have investigated the adsorption of some amino acids and an oligopeptide by fullerene (C 60 ) and fullerene nanowhiskers (FNWs). C 60 and FNWs hardly adsorbed amino acids. Most of the amino acids used have a hydrophobic side chain. Ala and Val, with an alkyl chain, were not adsorbed by the C 60 or FNWs. Trp, Phe and Pro, with a cyclic structure, were not adsorbed by them either. The aromatic group of C 60 did not interact with the side chain. The carboxyl or amino group, with the frame structure of an amino acid, has a positive or negative charge in solution. It is likely that the C 60 and FNWs would not prefer the charged carboxyl or amino group. Tri-Ala was adsorbed slightly by the C 60 and FNWs. The carboxyl or amino group is not close to the center of the methyl group of Tri-Ala. One of the methyl groups in Tri-Ala would interact with the aromatic structure of the C 60 and FNWs. We compared our results with the theoretical interaction of 20 bio-amino acids with C 60 . The theoretical simulations showed the bonding distance between C 60 and an amino acid and the dissociation energy. The dissociation energy was shown to increase in the order, Val < Phe < Pro < Asp < Ala < Trp < Tyr < Arg < Leu. However, the simulation was not consistent with our experimental results. The adsorption of albumin (a protein) by C 60 showed the effect on the side chains of Try and Trp. The structure of albumin was changed a little by C 60 . In our study Try and Tyr were hardly adsorbed by C 60 and FNWs. These amino acids did not show a different adsorption behavior compared with other amino acids. The adsorptive behavior of mono-amino acids might be different from that of polypeptides. (paper)

  2. Ability of Fullerene to Accumulate Hydrogen

    Bubenchikov Mikhail A

    2016-01-01

    Full Text Available In the present paper, using a modification of the LJ-potential and the continuum approach, we define С60-H2 (He potentials, as well as interaction energy of two fullerene particles. The proposed approach allows to calculate interactions between carbon structures of any character (wavy graphenes, nanotubes, etc.. The obtained results allowed to localize global sorption zones both inside the particle and on the outer surface of the fullerene.

  3. Disorder effect on carrier mobility in Fullerene organic semiconductor

    Mendil, N; Daoudi, M; Berkai, Z; Belghachi, A

    2015-01-01

    The critical factor that limits the efficiencies of organic electronic devices is the low charge carrier mobility which is attributed to disorder in organic films. In this context, we have studied the effects of disorder on carrier mobility in organic Schottky diode of electrons for the fullerene (C 60 ). Our results show that the mobility is sensitive probes of structural phase transitions and order-disorder underlying C 60 . Where it is one reason behind the low mobility which it take as value 1.4x10 -2 cm 2 /V.s above critical temperature Tc =289K. (paper)

  4. Enthalpies of sublimation of fullerenes by thermogravimetry

    Martínez-Herrera, Melchor; Campos, Myriam; Torres, Luis Alfonso; Rojas, Aarón, E-mail: arojas@cinvestav.mx

    2015-12-20

    Graphical abstract: - Highlights: • Enthalpies of sublimation of fullerenes were measured by thermogravimetry. • Results of enthalpies of sublimation are comparable with data reported in literature. • Not previously reported enthalpy of sublimation of C{sub 78} is supplied in this work. • Enthalpies of sublimation show a strong dependence with the number of carbon atoms in the cluster. • Enthalpies of sublimation are congruent with dispersion forces ruling cohesion of solid fullerene. - Abstract: The enthalpies of sublimation of fullerenes, as measured in the interval of 810–1170 K by thermogravimetry and applying the Langmuir equation, are reported. The detailed experimental procedure and its application to fullerenes C{sub 60}, C{sub 70}, C{sub 76}, C{sub 78} and C{sub 84} are supplied. The accuracy and uncertainty associated with the experimental results of the enthalpy of sublimation of these fullerenes show that the reliability of the measurements is comparable to that of other indirect high-temperature methods. The results also indicate that the enthalpy of sublimation increases proportionally to the number of carbon atoms in the cluster but there is also a strong correlation between the enthalpy of sublimation and the polarizability of each fullerene.

  5. Photoinduced energy and electron transfer in fullerene- oligothiophene-fullerene triads

    Hal, Paul A. van; Knol, Joop; Langeveld-Voss, Bea M.W.; Meskers, Stefan C.J.; Hummelen, J.C.; Janssen, René A.J.

    2000-01-01

    A series of fullerene-oligothiophene-fullerene (C60-nT-C60) triads with n = 3, 6, or 9 thiophene units has been synthesized, and their photophysical properties have been studied using photoinduced absorption and fluorescence spectroscopy in solution and in the solid state as thin films. The results

  6. Morphology and Phase Composition of Particles Produced by Electro-Discharge-Machining of Iron

    Cabanillas, E. D.; Pasqualini, E. E.; Lopez, M.; Cirilo, D.; Desimoni, J.; Mercader, R. C.

    2001-01-01

    Towards producing metallic particles of controlled size and spherical shape, which are of technological importance, we have collected in the filters of an electro-discharge-machine (EDM) the material ejected from the surface of EDM iron pieces. The conditions of machining were varied for kerosene and water as dielectrics, using a discharge current of 25 A and duration times of 16 and 3072 μs for kerosene and of 32, 384 and 768 μs for water, respectively. Scanning electron microscopy was used to assess the effect of the time of discharge on the size of the particles. Moessbauer spectroscopy and X-ray diffraction revealed that for kerosene EDM particles only cementite-like carbides of diverse stoichiometry were formed. While no oxide was found for kerosene spheres, the analyses showed that besides the main fraction of α-Fe, a small percentage of wuestite (and traces of hematite for the 384 μs sample) formed on the water EDM ones

  7. Morphology and Phase Composition of Particles Produced by Electro-Discharge-Machining of Iron

    Cabanillas, E. D.; Pasqualini, E. E.; Lopez, M.; Cirilo, D. [Comision Nacional de Energia Atomica, Centro Atomico Constituyentes (Argentina); Desimoni, J.; Mercader, R. C. [Universidad Nacional de La Plata, Departamento de Fisica, IFLP, Facultad de Ciencias Exactas (Argentina)

    2001-05-15

    Towards producing metallic particles of controlled size and spherical shape, which are of technological importance, we have collected in the filters of an electro-discharge-machine (EDM) the material ejected from the surface of EDM iron pieces. The conditions of machining were varied for kerosene and water as dielectrics, using a discharge current of 25 A and duration times of 16 and 3072 {mu}s for kerosene and of 32, 384 and 768 {mu}s for water, respectively. Scanning electron microscopy was used to assess the effect of the time of discharge on the size of the particles. Moessbauer spectroscopy and X-ray diffraction revealed that for kerosene EDM particles only cementite-like carbides of diverse stoichiometry were formed. While no oxide was found for kerosene spheres, the analyses showed that besides the main fraction of {alpha}-Fe, a small percentage of wuestite (and traces of hematite for the 384 {mu}s sample) formed on the water EDM ones.

  8. Recent advances in fullerene superconductivity

    Margadonna, S

    2002-01-01

    Superconducting transition temperatures in bulk chemically intercalated fulleride salts reach 33 K at ambient pressure and in hole-doped C sub 6 sub 0 derivatives in field-effect-transistor (FET) configurations, they reach 117 K. These advances pose important challenges for our understanding of high-temperature superconductivity in these highly correlated organic metals. Here we review the structures and properties of intercalated fullerides, paying particular attention to the correlation between superconductivity and interfullerene separation, orientational order/disorder, valence state, orbital degeneracy, low-symmetry distortions, and metal-C sub 6 sub 0 interactions. The metal-insulator transition at large interfullerene separations is discussed in detail. An overview is also given of the exploding field of gate-induced superconductivity of fullerenes in FET electronic devices.

  9. Multi-phase classification by a least-squares support vector machine approach in tomography images of geological samples

    Khan, Faisal; Enzmann, Frieder; Kersten, Michael

    2016-03-01

    Image processing of X-ray-computed polychromatic cone-beam micro-tomography (μXCT) data of geological samples mainly involves artefact reduction and phase segmentation. For the former, the main beam-hardening (BH) artefact is removed by applying a best-fit quadratic surface algorithm to a given image data set (reconstructed slice), which minimizes the BH offsets of the attenuation data points from that surface. A Matlab code for this approach is provided in the Appendix. The final BH-corrected image is extracted from the residual data or from the difference between the surface elevation values and the original grey-scale values. For the segmentation, we propose a novel least-squares support vector machine (LS-SVM, an algorithm for pixel-based multi-phase classification) approach. A receiver operating characteristic (ROC) analysis was performed on BH-corrected and uncorrected samples to show that BH correction is in fact an important prerequisite for accurate multi-phase classification. The combination of the two approaches was thus used to classify successfully three different more or less complex multi-phase rock core samples.

  10. A Close Look at Charge Generation in Polymer:Fullerene Blends with Microstructure Control

    Scarongella, Mariateresa

    2015-03-04

    © 2015 American Chemical Society. We reveal some of the key mechanisms during charge generation in polymer:fullerene blends exploiting our well-defined understanding of the microstructures obtained in pBTTT:PCBM systems via processing with fatty acid methyl ester additives. Based on ultrafast transient absorption, electro-absorption, and fluorescence up-conversion spectroscopy, we find that exciton diffusion through relatively phase-pure polymer or fullerene domains limits the rate of electron and hole transfer, while prompt charge separation occurs in regions where the polymer and fullerene are molecularly intermixed (such as the co-crystal phase where fullerenes intercalate between polymer chains in pBTTT:PCBM). We moreover confirm the importance of neat domains, which are essential to prevent geminate recombination of bound electron-hole pairs. Most interestingly, using an electro-absorption (Stark effect) signature, we directly visualize the migration of holes from intermixed to neat regions, which occurs on the subpicosecond time scale. This ultrafast transport is likely sustained by high local mobility (possibly along chains extending from the co-crystal phase to neat regions) and by an energy cascade driving the holes toward the neat domains.

  11. A Close Look at Charge Generation in Polymer:Fullerene Blends with Microstructure Control

    Scarongella, Mariateresa; De Jonghe-Risse, Jelissa; Buchaca-Domingo, Ester; Causa’ , Martina; Fei, Zhuping; Heeney, Martin; Moser, Jacques-E.; Stingelin, Natalie; Banerji, Natalie

    2015-01-01

    © 2015 American Chemical Society. We reveal some of the key mechanisms during charge generation in polymer:fullerene blends exploiting our well-defined understanding of the microstructures obtained in pBTTT:PCBM systems via processing with fatty acid methyl ester additives. Based on ultrafast transient absorption, electro-absorption, and fluorescence up-conversion spectroscopy, we find that exciton diffusion through relatively phase-pure polymer or fullerene domains limits the rate of electron and hole transfer, while prompt charge separation occurs in regions where the polymer and fullerene are molecularly intermixed (such as the co-crystal phase where fullerenes intercalate between polymer chains in pBTTT:PCBM). We moreover confirm the importance of neat domains, which are essential to prevent geminate recombination of bound electron-hole pairs. Most interestingly, using an electro-absorption (Stark effect) signature, we directly visualize the migration of holes from intermixed to neat regions, which occurs on the subpicosecond time scale. This ultrafast transport is likely sustained by high local mobility (possibly along chains extending from the co-crystal phase to neat regions) and by an energy cascade driving the holes toward the neat domains.

  12. Production of Endohedral Fullerenes by Ion Implantation

    Diener, M.D.; Alford, J. M.; Mirzadeh, S.

    2007-05-31

    The empty interior cavity of fullerenes has long been touted for containment of radionuclides during in vivo transport, during radioimmunotherapy (RIT) and radioimaging for example. As the chemistry required to open a hole in fullerene is complex and exceedingly unlikely to occur in vivo, and conformational stability of the fullerene cage is absolute, atoms trapped within fullerenes can only be released during extremely energetic events. Encapsulating radionuclides in fullerenes could therefore potentially eliminate undesired toxicity resulting from leakage and catabolism of radionuclides administered with other techniques. At the start of this project however, methods for production of transition metal and p-electron metal endohedral fullerenes were completely unknown, and only one method for production of endohedral radiofullerenes was known. They therefore investigated three different methods for the production of therapeutically useful endohedral metallofullerenes: (1) implantation of ions using the high intensity ion beam at the Oak Ridge National Laboratory (ORNL) Surface Modification and Characterization Research Center (SMAC) and fullerenes as the target; (2) implantation of ions using the recoil energy following alpha decay; and (3) implantation of ions using the recoil energy following neutron capture, using ORNL's High Flux Isotope Reactor (HFIR) as a thermal neutron source. While they were unable to obtain evidence of successful implantation using the ion beam at SMAC, recoil following alpha decay and neutron capture were both found to be economically viable methods for the production of therapeutically useful radiofullerenes. In this report, the procedures for preparing fullerenes containing the isotopes {sup 212}Pb, {sup 212}Bi, {sup 213}Bi, and {sup 177}Lu are described. None of these endohedral fullerenes had ever previously been prepared, and all of these radioisotopes are actively under investigation for RIT. Additionally, the chemistry for

  13. Fullerene surfactants and their use in polymer solar cells

    Jen, Kwan-Yue; Yip, Hin-Lap; Li, Chang-Zhi

    2015-12-15

    Fullerene surfactant compounds useful as interfacial layer in polymer solar cells to enhance solar cell efficiency. Polymer solar cell including a fullerene surfactant-containing interfacial layer intermediate cathode and active layer.

  14. Non-fullerene electron acceptors for organic photovoltaic devices

    Jenekhe, Samson A.; Li, Haiyan; Earmme, Taeshik; Ren, Guoqiang

    2017-11-07

    Non-fullerene electron acceptors for highly efficient organic photovoltaic devices are described. The non-fullerene electron acceptors have an extended, rigid, .pi.-conjugated electron-deficient framework that can facilitate exciton and charge derealization. The non-fullerene electron acceptors can physically mix with a donor polymer and facilitate improved electron transport. The non-fullerene electron acceptors can be incorporated into organic electronic devices, such as photovoltaic cells.

  15. Effect of Machine Smoking Intensity and Filter Ventilation Level on Gas-Phase Temperature Distribution Inside a Burning Cigarette

    Li Bin

    2015-01-01

    Full Text Available Accurate measurements of cigarette coal temperature are essential to understand the thermophysical and thermo-chemical processes in a burning cigarette. The last system-atic studies of cigarette burning temperature measurements were conducted in the mid-1970s. Contemporary cigarettes have evolved in design features and multiple standard machine-smoking regimes have also become available, hence there is a need to re-examine cigarette combustion. In this work, we performed systematic measurements on gas-phase temperature of burning cigarettes using an improved fine thermocouple technique. The effects of machine-smoking parameters (puff volume and puff duration and filter ventilation levels were studied with high spatial and time resolutions during single puffs. The experimental results were presented in a number of differ-ent ways to highlight the dynamic and complex thermal processes inside a burning coal. A mathematical distribution equation was used to fit the experimental temperature data. Extracting and plotting the distribution parameters against puffing time revealed complex temperature profiles under different coal volume as a function of puffing intensities or filter ventilation levels. By dividing the coal volume prior to puffing into three temperature ranges (low-temperature from 200 to 400 °C, medium-temperature from 400 to 600 °C, and high-temperature volume above 600 °C by following their development at different smoking regimes, useful mechanistic details were obtained. Finally, direct visualisation of the gas-phase temperature through detailed temperature and temperature gradient contour maps provided further insights into the complex thermo-physics of the burning coal. [Beitr. Tabakforsch. Int. 26 (2014 191-203

  16. INFRARED STUDY OF FULLERENE PLANETARY NEBULAE

    García-Hernández, D. A.; Acosta-Pulido, J. A.; Manchado, A.; Villaver, E.; García-Lario, P.; Stanghellini, L.; Shaw, R. A.; Cataldo, F.

    2012-01-01

    We present a study of 16 planetary nebulae (PNe) where fullerenes have been detected in their Spitzer Space Telescope spectra. This large sample of objects offers a unique opportunity to test conditions of fullerene formation and survival under different metallicity environments because we are analyzing five sources in our own Galaxy, four in the Large Magellanic Cloud (LMC), and seven in the Small Magellanic Cloud (SMC). Among the 16 PNe studied, we present the first detection of C 60 (and possibly also C 70 ) fullerenes in the PN M 1–60 as well as of the unusual ∼6.6, 9.8, and 20 μm features (attributed to possible planar C 24 ) in the PN K 3–54. Although selection effects in the original samples of PNe observed with Spitzer may play a potentially significant role in the statistics, we find that the detection rate of fullerenes in C-rich PNe increases with decreasing metallicity (∼5% in the Galaxy, ∼20% in the LMC, and ∼44% in the SMC) and we interpret this as a possible consequence of the limited dust processing occurring in Magellanic Cloud (MC) PNe. CLOUDY photoionization modeling matches the observed IR fluxes with central stars that display a rather narrow range in effective temperature (∼30,000-45,000 K), suggesting a common evolutionary status of the objects and similar fullerene formation conditions. Furthermore, the data suggest that fullerene PNe likely evolve from low-mass progenitors and are usually of low excitation. We do not find a metallicity dependence on the estimated fullerene abundances. The observed C 60 intensity ratios in the Galactic sources confirm our previous finding in the MCs that the fullerene emission is not excited by the UV radiation from the central star. CLOUDY models also show that line- and wind-blanketed model atmospheres can explain many of the observed [Ne III]/[Ne II] ratios using photoionization, suggesting that possibly the UV radiation from the central star, and not shocks, is triggering the decomposition

  17. Micelle-encapsulated fullerenes in aqueous electrolytes

    Ala-Kleme, T., E-mail: timo.ala-kleme@utu.fi [Department of Chemistry, University of Turku, 20014 Turku (Finland); Maeki, A.; Maeki, R.; Kopperoinen, A.; Heikkinen, M.; Haapakka, K. [Department of Chemistry, University of Turku, 20014 Turku (Finland)

    2013-03-15

    Different micellar particles Mi(M{sup +}) (Mi=Triton X-100, Triton N-101 R, Triton CF-10, Brij-35, M{sup +}=Na{sup +}, K{sup +}, Cs{sup +}) have been prepared in different aqueous H{sub 3}BO{sub 3}/MOH background electrolytes. It has been observed that these particles can be used to disperse the highly hydrophobic spherical [60]fullerene (1) and ellipsoidal [70]fullerene (2). This dispersion is realised as either micelle-encapsulated monomers Mi(M{sup +})1{sub m} and Mi(M{sup +})2{sub m} or water-soluble micelle-bound aggregates Mi(M{sup +})1{sub agg} and Mi(M{sup +})2{sub agg}, where especially the hydration degree and polyoxyethylene (POE) thickness of the micellar particle seems to play a role of vital importance. Further, the encapsulation microenvironment of 1{sub m} was found to depend strongly on the selected monovalent electrolyte cation, i.e., the encapsulated 1{sub m} is accommodated in the more hydrophobic microenvironment the higher the cationic solvation number is. - Highlights: Black-Right-Pointing-Pointer Different micellar particles is used to disperse [60]fullerene and [70]fullerene. Black-Right-Pointing-Pointer Fullerene monomers or aggregates are dispersed encaging or bounding by micelles. Black-Right-Pointing-Pointer Effective facts are hydration degree and polyoxyethylene thickness of micelle.

  18. Graphene macro-assembly-fullerene composite for electrical energy storage

    Campbell, Patrick G.; Baumann, Theodore F.; Biener, Juergen; Merrill, Matthew; Montalvo, Elizabeth; Worsley, Marcus A.; Biener, Monika M.; Hernandez, Maira Raquel Ceron

    2018-01-16

    Disclosed here is a method for producing a graphene macro-assembly (GMA)-fullerene composite, comprising providing a GMA comprising a three-dimensional network of graphene sheets crosslinked by covalent carbon bonds, and incorporating at least 20 wt. % of at least one fullerene compound into the GMA based on the initial weight of the GMA to obtain a GMA-fullerene composite. Also described are a GMA-fullerene composite produced, an electrode comprising the GMA-fullerene composite, and a supercapacitor comprising the electrode and optionally an organic or ionic liquid electrolyte in contact with the electrode.

  19. C{sub 60} fullerene decoration of carbon nanotubes

    Demin, V. A., E-mail: victordemin88@gmail.com [Russian Academy of Sciences, Emanuel Institute of Biochemical Physics (Russian Federation); Blank, V. D.; Karaeva, A. R.; Kulnitskiy, B. A.; Mordkovich, V. Z. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Parkhomenko, Yu. N. [National University of Science and Technology MISiS (Russian Federation); Perezhogin, I. A.; Popov, M. Yu. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Skryleva, E. A. [National University of Science and Technology MISiS (Russian Federation); Urvanov, S. A. [Technological Institute for Superhard and Novel Carbon Materials (Russian Federation); Chernozatonskii, L. A. [Russian Academy of Sciences, Emanuel Institute of Biochemical Physics (Russian Federation)

    2016-12-15

    A new fully carbon nanocomposite material is synthesized by the immersion of carbon nanotubes in a fullerene solution in carbon disulfide. The presence of a dense layer of fullerene molecules on the outer nanotube surface is demonstrated by TEM and XPS. Fullerenes are redistributed on the nanotube surface during a long-term action of an electron beam, which points to the existence of a molecular bond between a nanotube and fullerenes. Theoretical calculations show that the formation of a fullerene shell begins with the attachment of one C{sub 60} molecule to a defect on the nanotube surface.

  20. Deformation-phase transformation coupling mechanism of white layer formation in high speed machining of FGH95 Ni-based superalloy

    Du, Jin [School of Mechanical and Automotive Engineering, Qilu University of Technology, Jinan, Shandong 250353 (China); Liu, Zhanqiang, E-mail: melius@sdu.edu.cn [School of Mechanical Engineering, Shandong University, Jinan, Shandong 250061 (China); Key Laboratory of High Efficiency and Clean Mechanical Manufacture, Shandong University, Ministry of Education, Shandong (China); Lv, Shaoyu [School of Mechanical Engineering, Shandong University, Jinan, Shandong 250061 (China)

    2014-02-15

    Ni-based superalloy represents a significant metal portion of the aircraft critical structural and engine components. When these critical structural components in aerospace industry are manufactured with the objective to reach high reliability levels and excellent service performance, surface integrity is one of the most relevant parameter used for evaluating the quality of finish machined surfaces. In the study of surface integrity, the formation white layer is a very important research topic. The formation of white layer on the Ni-based superalloy machined surface will reduce the machined parts service performance and fatigue life. This paper was conducted to determine the effects of cutting speed on white layer formation in high speed machining of FGH95 Ni-based superalloy. Optical microscope, scanning electron microscope and X-ray diffraction were employed to analyze the elements and microstructures of white layer and bulk materials. The statistical analysis for grain numbers was executed to study the influence of cutting speed on the grain refinement in the machined surface. The investigation results showed that white layer exhibits significantly different microstructures with the bulk materials. It shows densification, no obvious structural features characteristic. The microstructure and phase of Ni-based solid solution changed during cutting process. The increase of cutting speed causes the increase of white layer thickness when the cutting speed is less than 2000 m/min. However, white layer thickness reduces with the cutting speed further increase. The higher the cutting speed, the more serious grains refinement in machined surface. 2-D FEM for machining FGH95 were carried out to simulate the cutting process and obtained the cutting temperature field, cutting strain field and strain rate field. The impact mechanisms of cutting temperature, cutting strain and strain rates on white layer formation were analyzed. At last, deformation-phase transformation

  1. Fascinating serendipity some adventures in fullerene chemistry

    Braun, T.; Rauch, H.

    2001-01-01

    The lecture is divided to four chapters. Chapter one gives a short overview on the notion of serendipity and the serendipitous discovery of the fullerenes, the third allotropic form of carbon and will try to highlight why this discovery can be considered a revolution in chemistry. The second and third chapters present some results of the author's research group. Neutron irradiation of C 60 in a nuclear reactor has also made possible the serendipitous discovery of a new procedure for synthesis of endohedral C 60 compounds exemplified by the synthesis of many endohedral radio-fullerenes of * X at C 60 type. The fourth chapter of the lecture deals with 'Capture-captive chemistry' as a new typology for molecular containers including fullerenes. (author)

  2. Epileptic seizure detection from EEG signals with phase-amplitude cross-frequency coupling and support vector machine

    Liu, Yang; Wang, Jiang; Cai, Lihui; Chen, Yingyuan; Qin, Yingmei

    2018-03-01

    As a pattern of cross-frequency coupling (CFC), phase-amplitude coupling (PAC) depicts the interaction between the phase and amplitude of distinct frequency bands from the same signal, and has been proved to be closely related to the brain’s cognitive and memory activities. This work utilized PAC and support vector machine (SVM) classifier to identify the epileptic seizures from electroencephalogram (EEG) data. The entropy-based modulation index (MI) matrixes are used to express the strength of PAC, from which we extracted features as the input for classifier. Based on the Bonn database, which contains five datasets of EEG segments obtained from healthy volunteers and epileptic subjects, a 100% classification accuracy is achieved for identifying seizure ictal from healthy data, and an accuracy of 97.67% is reached in the classification of ictal EEG signals from inter-ictal EEGs. Based on the CHB-MIT database which is a group of continuously recorded epileptic EEGs by scalp electrodes, a 97.50% classification accuracy is obtained and a raising sign of MI value is found at 6s before seizure onset. The classification performance in this work is effective, and PAC can be considered as a useful tool for detecting and predicting the epileptic seizures and providing reference for clinical diagnosis.

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

    Zope, Rajendra R., E-mail: rzope@utep.edu; Baruah, Tunna [Department of Physics, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Computational Science Program, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Bhusal, Shusil; Basurto, Luis [Department of Physics, The University of Texas at El Paso, El Paso, Texas 79958 (United States); Jackson, Koblar [Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University, Mt. Pleasant, Michigan 48859 (United States)

    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.

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

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

    2015-01-01

    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 C 60 @C 240 and C 60 @C 180 onions shows that, compared to the polarizability of isolated C 60 fullerene, the encapsulation of the C 60 in C 240 and C 180 fullerenes reduces its polarizability by 75% and 83%, respectively. The differences in the polarizability of C 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

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

    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.

  6. Detection of Eccentricity Faults in Five-Phase Ferrite-PM Assisted Synchronous Reluctance Machines

    Carlos López-Torres

    2017-05-01

    Full Text Available Air gap eccentricity faults in five-phase ferrite-assisted synchronous reluctance motors (fPMa-SynRMs tend to distort the magnetic flux in the air gap, which in turn affects the spectral content of both the stator currents and the ZSVC (zero-sequence voltage component. However, there is a lack of research dealing with the topic of fault diagnosis in multi-phase PMa-SynRMs, and in particular, those focused on detecting eccentricity faults. An analysis of the spectral components of the line currents and the ZSVC allows the development of fault diagnosis algorithms to detect eccentricity faults. The effect of the operating conditions is also analyzed, since this paper shows that it has a non-negligible impact on the effectivity and sensitivity of the diagnosis based on an analysis of the stator currents and the ZSVC. To this end, different operating conditions are analyzed. The paper also evaluates the influence of the operating conditions on the harmonic content of the line currents and the ZSVC, and determines the most suitable operating conditions to enhance the sensitivity of the analyzed methods. Finally, fault indicators employed to detect eccentricity faults, which are based on the spectral content of the stator currents and the ZSVC, are derived and their performance is assessed. The approach presented in this work may be useful for developing fault diagnosis strategies based on the acquisition and subsequent analysis and interpretation of the spectral content of the line currents and the ZSVC.

  7. Physicochemical Characterization and Thermodynamic Studies of Nanoemulsion-Based Transdermal Delivery System for Fullerene

    Cheng Loong Ngan

    2014-01-01

    Full Text Available Fullerene nanoemulsions were formulated in palm kernel oil esters stabilized by low amount of mixed nonionic surfactants. Pseudoternary phase diagrams were established in the colloidal system of PKOEs/Tween 80 : Span 80/water incorporated with fullerene as antioxidant. Preformulation was subjected to combination of high and low energy emulsification methods and the physicochemical characteristics of fullerene nanoemulsions were analyzed using electroacoustic spectrometer. Oil-in-water (O/W nanoemulsions with particle sizes in the range of 70–160 nm were formed. The rheological characteristics of colloidal systems exhibited shear thinning behavior which fitted well into the power law model. The effect of xanthan gum (0.2–1.0%, w/w and beeswax (1–3%, w/w in the estimation of thermodynamics was further studied. From the energetic parameters calculated for the viscous flow, a moderate energy barrier for transport process was observed. Thermodynamic study showed that the enthalpy was positive in all xanthan gum and beeswax concentrations indicating that the formation of nanoemulsions could be endothermic in nature. Fullerene nanoemulsions with 0.6% or higher xanthan gum content were found to be stable against creaming and flocculation when exposed to extreme environmental conditions.

  8. The third, molecular, form of carbon: fullerenes, carbon nanotubes and onions. Some physical properties of fullerites

    Zubov, V.I.

    2004-01-01

    A brief review is presented of the pre-history and discovery of fullerenes (and then carbon nanotubes) that make the third molecular form of carbon, and of various, predominantly physical, properties of fullerites, i.e. of crystals composed of fullerene molecules. Particular attention is being given to the intermolecular forces, especially at orientationally disordered phases. The Girifalco potential is presented for eight fullerenes from C 28 to C 96 and its generalization is made for the interactions between the different fullerene molecules, C m and C n . The thermodynamics properties of the high-temperature modifications of a family of the fullerites, from C 36 up to C 96 , calculated in equilibrium with their saturated vapors on the basis of the correlative method of the unsymmetrized self-consistent field that enables one to take into account the strong anharmonicity of the lattice vibrations, are discussed. The calculations were accomplished up to the temperature of loss of stability (spinodal point) T s . We compare our results with available experimental data. The behaviour of some characteristics is considered in their dependence on the number of atoms in the molecule. Using the Lindermann's melting criterion we estimate a possible melting curve for the C 60 fullerite. (orig.)

  9. HTS machine laboratory prototype

    machine. The machine comprises six stationary HTS field windings wound from both YBCO and BiSCOO tape operated at liquid nitrogen temperature and enclosed in a cryostat, and a three phase armature winding spinning at up to 300 rpm. This design has full functionality of HTS synchronous machines. The design...

  10. STTR Phase 1 Final Technical Report for Project Entitled "Developing a Mobile Torrefaction Machine"

    James, Joseph J. [President, ATP

    2014-03-11

    The goal of this project, sponsored by Agri-Tech Producers, LLC (ATP), the small business grantee, was to determine if the torrefaction technology, developed by North Carolina State University (NCSU), which ATP has licensed, could be feasibly deployed in a mobile unit. The study adds to the area investigated, by having ATP’s STTR Phase I team give thoughtful consideration to how to use NCSU’s technology in a mobile unit. The findings by ATP’s team were that NCSU’s technology would best perform in units 30’ by 80’ (See Spec Sheet for the Torre-Tech 5.0 Unit in the Appendix) and the technical effectiveness and economic feasibility investigation suggested that such units were not easily, efficiently or safely utilized in a forest or farm setting. (Note rendering of possible mobile system in the Appendix) Therefore, the findings by ATP’s team were that NCSU’s technology could not feasibly be deployed as a mobile unit.

  11. Mesoscale Simulation and Machine Learning of Asphaltene Aggregation Phase Behavior and Molecular Assembly Landscapes.

    Wang, Jiang; Gayatri, Mohit A; Ferguson, Andrew L

    2017-05-11

    Asphaltenes constitute the heaviest fraction of the aromatic group in crude oil. Aggregation and precipitation of asphaltenes during petroleum processing costs the petroleum industry billions of dollars each year due to downtime and production inefficiencies. Asphaltene aggregation proceeds via a hierarchical self-assembly process that is well-described by the Yen-Mullins model. Nevertheless, the microscopic details of the emergent cluster morphologies and their relative stability under different processing conditions remain poorly understood. We perform coarse-grained molecular dynamics simulations of a prototypical asphaltene molecule to establish a phase diagram mapping the self-assembled morphologies as a function of temperature, pressure, and n-heptane:toluene solvent ratio informing how to control asphaltene aggregation by regulating external processing conditions. We then combine our simulations with graph matching and nonlinear manifold learning to determine low-dimensional free energy surfaces governing asphaltene self-assembly. In doing so, we introduce a variant of diffusion maps designed to handle data sets with large local density variations, and report the first application of many-body diffusion maps to molecular self-assembly to recover a pseudo-1D free energy landscape. Increasing pressure only weakly affects the landscape, serving only to destabilize the largest aggregates. Increasing temperature and toluene solvent fraction stabilizes small cluster sizes and loose bonding arrangements. Although the underlying molecular mechanisms differ, the strikingly similar effect of these variables on the free energy landscape suggests that toluene acts upon asphaltene self-assembly as an effective temperature.

  12. Machine Protection

    Zerlauth, Markus; Schmidt, Rüdiger; Wenninger, Jörg

    2012-01-01

    The present architecture of the machine protection system is being recalled and the performance of the associated systems during the 2011 run will be briefly summarized. An analysis of the causes of beam dumps as well as an assessment of the dependability of the machine protection systems (MPS) itself is being presented. Emphasis will be given to events that risked exposing parts of the machine to damage. Further improvements and mitigations of potential holes in the protection systems will be evaluated along with their impact on the 2012 run. The role of rMPP during the various operational phases (commissioning, intensity ramp up, MDs...) will be discussed along with a proposal for the intensity ramp up for the start of beam operation in 2012

  13. Machine Protection

    Zerlauth, Markus; Wenninger, Jörg

    2012-01-01

    The present architecture of the machine protection system is being recalled and the performance of the associated systems during the 2011 run will be briefly summarized. An analysis of the causes of beam dumps as well as an assessment of the dependability of the machine protection systems (MPS) itself is being presented. Emphasis will be given to events that risked exposing parts of the machine to damage. Further improvements and mitigations of potential holes in the protection systems will be evaluated along with their impact on the 2012 run. The role of rMPP during the various operational phases (commissioning, intensity ramp up, MDs...) will be discussed along with a proposal for the intensity ramp up for the start of beam operation in 2012.

  14. Machine Protection

    Zerlauth, Markus; Schmidt, Rüdiger; Wenninger, Jörg [European Organization for Nuclear Research, Geneva (Switzerland)

    2012-07-01

    The present architecture of the machine protection system is being recalled and the performance of the associated systems during the 2011 run will be briefly summarized. An analysis of the causes of beam dumps as well as an assessment of the dependability of the machine protection systems (MPS) itself is being presented. Emphasis will be given to events that risked exposing parts of the machine to damage. Further improvements and mitigations of potential holes in the protection systems will be evaluated along with their impact on the 2012 run. The role of rMPP during the various operational phases (commissioning, intensity ramp up, MDs...) will be discussed along with a proposal for the intensity ramp up for the start of beam operation in 2012.

  15. Electronic stopping in ion-fullerene collisions

    Schlathölter, T.A.; Hadjar, O.; Hoekstra, R.A.; Morgenstern, R.W.H.

    The electronic friction experienced by a multiply charged ion interacting with the valence electrons of a single fullerene is an important aspect of the collision dynamics. It manifests itself in a considerable loss of projectile kinetic energy transferred to the target, resulting in excitation. The

  16. Fullerenes and nanostructured plastic solar cells

    Knol, Joop; Hummelen, Jan C.; Kuzmany, H; Fink, J; Mehring, M; Roth, S

    1998-01-01

    We report on the present on the present status of the plastic solar cell and on the design of fullerene derivatives and pi-conjugated donor molecules that can function as acceptor-donor pairs and (supra-) molecular building blocks in organized, nanostructured interpenetrating networks, forming a

  17. Study of the Si fullerene cage isomers

    Fthenakis, Z.G.; Havenith, R.W.A.; Menon, M.; Fowler, P.W.

    2005-01-01

    We present the results of a study on the structural and electronic properties of the Si38 fullerene isomers, which are constructed by making all possible permutations among their pentagons and hexagons. These structures were firstly fully optimized with a tight binding molecular dynamics method and

  18. Thiamakrocykly pro komplexaci fullerenů

    Holý, Petr; Buchta, Michal; Rybáček, Jiří; Závada, Jiří

    2009-01-01

    Roč. 5, č. 9 (2009), s. 186-187 ISSN 1336-7242. [Zjazd chemikov /61./. 07.09.2009-11.09.2009, Tatranské Matliare] R&D Projects: GA AV ČR IAA400550704 Institutional research plan: CEZ:AV0Z40550506 Keywords : makrocycles * alkylation * fullerene s Subject RIV: CC - Organic Chemistry

  19. Spectroscopy on Polymer-Fullerene Photovoltaic Cells

    Dyakonov, V.; Riedel, I.; Godovsky, D.; Parisi, J.; Ceuster, J. De; Goovaerts, E.; Hummelen, J.C.

    2000-01-01

    We investigate the electrical transport properties of ITO/conjugated polymer-fullerene/Al photovoltaic cells and the role of defect states with current-voltage studies, admittance spectroscopy, and electron spin resonance technique. In the temperature range 293-40K, the characteristic step in the

  20. Fullerenes and fulleranes in circumstellar envelopes

    Zhang, Yong; Kwok, Sun; Sadjadi, SeyedAbdolreza

    2016-01-01

    Three decades of search have recently led to convincing discoveries of cosmic fullerenes. The presence of C_6_0 and C"+ _6_0 in both circumstellar and interstellar environments suggests that these molecules and their derivatives can be efficiently formed in circumstellar envelopes and survive in harsh conditions. Detailed analysis of the infrared bands from fullerenes and their connections with the local properties can provide valuable information on the physical conditions and chemical processes that occurred in the late stages of stellar evolution. The identification of C"+ _6_0 as the carrier of four diffuse interstellar bands (DIBs) suggests that fullerene- related compounds are abundant in interstellar space and are essential for resolving the DIB mystery. Experiments have revealed a high hydrogenation rate when C_6_0 is exposed to atomic hydrogen, motivating the attempt to search for cosmic fulleranes. In this paper, we present a short review of current knowledge of cosmic fullerenes and fulleranes and briefly discuss the implications on circumstellar chemistry. (paper)

  1. Fullerene monolayer formation by spray coating

    Červenka, Jiří; Flipse, C.F.J.

    2010-01-01

    Roč. 21, č. 6 (2010), 065302/1-065302/7 ISSN 0957-4484 Institutional research plan: CEZ:AV0Z10100521 Keywords : monolayer * spray coating * fullerene * atomic force microscopy * scanning tunnelling microscopy * electronic structure * graphite * gold Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.644, year: 2010

  2. Adsorption and possible dissociation of glucose by the [BN fullerene-B6]- magnetic nanocomposite. In silico studies

    Anota, E. Chigo; Villanueva, M. Salazar; Shakerzadeh, E.; Castro, M.

    2018-02-01

    The adsorption, activation and possible dissociation of the glucose molecule on the magnetic [BN fullerene-B6]- system is performed by means of density functional theory calculations. Three models of magnetic nanocomposites were inspected: i) pristine BN fullerene, BN fullerene functionalized with a magnetic B6 cluster which generates two structures: ii) pyramidal (P) and iii) triangular (T). Chemical interactions of glucose appear for all these cases; however, for the BNF:B6(T)—glucose system, the interaction generates an effect of dissociation on glucose, due to the magnetic effects, since it has high spin multiplicity. The latter nanocomposite shows electronic behavior like-conductor and like-semi-conductor for the P and T geometries, respectively. Intrinsic magnetism associated to values of 1.0 magneton bohr (µB) for the pyramidal and 5.0 µB for the triangular structure, high polarity, and low-chemical reactivity are found for these systems. These interesting properties make these functionalized fullerenes a good option for being used as nano-vehicles for drug delivery. These quantum descriptors remain invariant when the [BN]-fullerene and [BNF:B6 (P) or (T)]- nanocomposites are interacting with the glucose molecule. According to the determined adsorption energy, chemisorption regimes occur in both the phases: gas and aqueous medium.

  3. Electrochemical insertion in solid media of alkali cations in carbonated host structures (polyacetylene, fullerene and graphite)

    Lemont, Sylvain

    1994-01-01

    This research thesis reports the investigation of electrochemical insertion of alkali cations in different host carbon containing structures (polyacetylene, fullerene, graphite). After a recall of the main characteristics of the three considered compounds, the author reports a bibliographical survey, describes the different compounds which can be used as solid electrolytes and explains the choice of the studied compounds with respect to their phase diagrams, ionic conductivity, electrochemical stability range. He describes the experimental methods, discusses the results obtained by intercalation of alkali cations (Li + , Na + , K + ) in polyacetylene. He discusses the electrochemical and structural results obtained on intercalation compounds of lithium and sodium ions in fullerene. The structures of several phases have been obtained by electron diffraction. Preliminary studies of electron energy loss spectrometry (EELS) are reported. The last part compares the results obtained on two types of graphite: pellets and spherules [fr

  4. Electric machines

    Gross, Charles A

    2006-01-01

    BASIC ELECTROMAGNETIC CONCEPTSBasic Magnetic ConceptsMagnetically Linear Systems: Magnetic CircuitsVoltage, Current, and Magnetic Field InteractionsMagnetic Properties of MaterialsNonlinear Magnetic Circuit AnalysisPermanent MagnetsSuperconducting MagnetsThe Fundamental Translational EM MachineThe Fundamental Rotational EM MachineMultiwinding EM SystemsLeakage FluxThe Concept of Ratings in EM SystemsSummaryProblemsTRANSFORMERSThe Ideal n-Winding TransformerTransformer Ratings and Per-Unit ScalingThe Nonideal Three-Winding TransformerThe Nonideal Two-Winding TransformerTransformer Efficiency and Voltage RegulationPractical ConsiderationsThe AutotransformerOperation of Transformers in Three-Phase EnvironmentsSequence Circuit Models for Three-Phase Transformer AnalysisHarmonics in TransformersSummaryProblemsBASIC MECHANICAL CONSIDERATIONSSome General PerspectivesEfficiencyLoad Torque-Speed CharacteristicsMass Polar Moment of InertiaGearingOperating ModesTranslational SystemsA Comprehensive Example: The ElevatorP...

  5. Interaction-induced light scattering in a fullerene surrounded by an ultrathin argon 'atmosphere': Molecular dynamics simulation

    Dawid, A.; Gburski, Z.

    2003-01-01

    Using the molecular dynamics method, we have calculated the interaction-induced polarizability correlation functions and spectra of the depolarized light scattering in a C 60 fullerene molecule surrounded by an argon atmosphere. The liquid phase of (C 60 )Ar n (n=36, 40, 44) system has been studied

  6. Memory operation mechanism of fullerene-containing polymer memory

    Nakajima, Anri, E-mail: anakajima@hiroshima-u.ac.jp; Fujii, Daiki [Research Institute for Nanodevice and Bio Systems, Hiroshima University, 1-4-2 Kagamiyama, Higashihiroshima, Hiroshima 739-8527 (Japan)

    2015-03-09

    The memory operation mechanism in fullerene-containing nanocomposite gate insulators was investigated while varying the kind of fullerene in a polymer gate insulator. It was cleared what kind of traps and which positions in the nanocomposite the injected electrons or holes are stored in. The reason for the difference in the easiness of programming was clarified taking the role of the charging energy of an injected electron into account. The dependence of the carrier dynamics on the kind of fullerene molecule was investigated. A nonuniform distribution of injected carriers occurred after application of a large magnitude programming voltage due to the width distribution of the polystyrene barrier between adjacent fullerene molecules. Through the investigations, we demonstrated a nanocomposite gate with fullerene molecules having excellent retention characteristics and a programming capability. This will lead to the realization of practical organic memories with fullerene-containing polymer nanocomposites.

  7. Generation, Characterization and Applications of Fullerenes

    Liu, Shengzhong

    A contact-arc sputtering configuration has been adopted and optimized in order to generate fullerene-containing soot. Several stages of design improvements have made our equipment more effective in terms of yield and production rate. Upon modification of Wudl's Soxhlet separation procedure, we have been able to significantly speed up C_ {60} separation and higher fullerene enrichment. At least ten more separable HPLC peaks after C_ {84} have been observed for the first time. Preliminary laser desorption time of flight mass spectra suggest that our enriched higher fullerene sample possibly contains, C_{86}, C_{88}, C_ {90}, C_{92} , C_{94} and C _{96} in addition to the previously isolated smaller fullerenes C_ {60}, C_{70} , C_{76}, C _{78}(D_2), C_{78}(C_ {rm 2v}) and C_{84 }. Among these, C_{86 }, C_{88}, C_{92} show up for the first time in separable amounts and the controversial species --C_{94} appears present too. HPLC has been successfully used for high fullerene separation, pure C_{76}, C_{84} samples so far having been obtained. Fullerene decomposition (especially of higher fullerenes) in the column has been clearly identified. We defined HPLC peaks indicate that the oxidation process may follow certain "well defined" routes. A yellow epoxide band containing various oxides of C_{60 } has been extracted and characterized using mass spectrometry. Characterizations of pure C _{60} and C_{70 } include HPLC, mass spectrometry, vibrational IR and Raman spectroscopy, STM, TEM etc. Our Raman measurements completed the full assignment of C_{60 } fundamental modes and supplied more structural information on C_{70}. STM imaging supplied clear pictures of both C_ {60} and C_{70} molecular topologies. Especially for C _{70}, both the long and the short axes of the molecule have been clearly resolved. TEM observations involving imaging, diffraction and electron energy loss spectroscopy of crystalline C_{60} and C_{70} were performed. The room temperature lattice

  8. Szeged Matrix Property Indices as Descriptors to Characterize Fullerenes

    Jäntschi Lorentz

    2016-12-01

    Full Text Available Fullerenes are class of allotropes of carbon organized as closed cages or tubes of carbon atoms. The fullerenes with small number of atoms were not frequently investigated. This paper presents a detailed treatment of total strain energy as function of structural feature extracted from isomers of C40 fullerene using Szeged Matrix Property Indices (SMPI. The paper has a two-fold structure. First, the total strain energy of C40 fullerene isomers (40 structures was linked with SMPI descriptors under two scenarios, one which incorporate just the SMPI descriptors and the other one which contains also five calculated properties (dipole moment, scf-binding-energy, scf-core-energy, scf-electronic-energy, and heat of formation. Second, the performing models identified on C40 fullerene family or the descriptors of these models were used to predict the total strain energy on C42 fullerene isomers. The obtained results show that the inclusion of properties in the pool of descriptors led to the reduction of accurate linear models. One property, namely scf-binding-energy proved a significant contribution to total strain energy of C40 fullerene isomers. However, the top-three most performing models contain just SMPI descriptors. A model with four descriptors proved most accurate model and show fair abilities in prediction of the same property on C42 fullerene isomers when the approach considered the descriptors identified on C40 as the predicting descriptors for C42 fullerene isomers.

  9. Fullerene solubility-current density relationship in polymer solar cells

    Renz, Joachim A.; Gobsch, Gerhard; Hoppe, Harald; Troshin, Pavel A.; Razumov, V.F.

    2008-01-01

    During the last decade polymer solar cells have undergone a steady increase in overall device efficiency. To date, essential efficiency improvements of polymer-fullerene solar cells require the development of new materials. Whilst most research efforts aim at an improved or spectrally extended absorption of the donor polymer, not so much attention has been paid to the fullerene properties themselves. We have investigated a number of structurally related fullerenes, in order to study the relationship between chemical structure and resulting polymer-fullerene bulk heterojunction photovoltaic properties. Our study reveals a clear connection between the fullerene solubility as material property on one hand and the solar cells short circuit photocurrent on the other hand. The tendency of the less soluble fullerene derivates to aggregate was accounted for smaller current densities in the respective solar cells. Once a minimum solubility of approx. 25 mg/ml in chlorobenzene was overcome by the fullerene derivative, the short circuit current density reached a plateau, of about 8-10 mA/cm 2 . Thus the solubility of the fullerene derivative directly influences the blend morphology and displays an important parameter for efficient polymer-fullerene bulk heterojunction solar cell operation. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  10. Hydrogenated fullerenes in space: FT-IR spectra analysis

    El-Barbary, A. A. [Physics Department, Faculty of Education, Ain-Shams University, Cairo, Egypt Physics Department, Faculty of Science, Jazan University, Jazan (Saudi Arabia)

    2016-06-10

    Fullerenes and hydrogenated fullerenes are found in circumstellar and interstellar environments. But the determination structures for the detected bands in the interstellar and circumstellar space are not completely understood so far. For that purpose, the aim of this article is to provide all possible infrared spectra for C{sub 20} and C{sub 60} fullerenes and their hydrogenated fullerenes. Density Functional theory (DFT) is applied using B3LYP exchange-functional with basis set 6–31G(d, p). The Fourier transform infrared spectroscopy (FT-IR) is found to be capable of distinguishing between fullerenes, mono hydrogenated fullerenes and fully hydrogenated fullerenes. In addition, deposition of one hydrogen atom outside the fully hydrogenated fullerenes is found to be distinguished by forming H{sub 2} molecule at peak around 4440 cm{sup −1}. However, deposition of one hydrogen atom inside the fully hydrogenated fullerenes cannot be distinguished. The obtained spectral structures are analyzed and are compared with available experimental results.

  11. Oscillations of spherical fullerenes interacting with graphene sheet

    Ghavanloo, Esmaeal, E-mail: ghavanloo@shirazu.ac.ir; Fazelzadeh, S. Ahmad

    2017-01-01

    In the present study, the oscillations of spherical fullerenes in the vicinity of a fully constrained graphene sheet are investigated. Using the continuous approximation and Lennard-Jones potential, the van der Waals (vdW) potential energy and interaction forces are obtained. The equation of motion is derived and directly solved based on the actual force distribution between the fullerene molecules and the graphene sheet. Numerical results are obtained and shown that the oscillation is sensitive to the size of the fullerene as well as the distance between the center of the fullerene and the graphene sheet.

  12. Coldness production and heat revalorization: particular machines; Production de froid et revalorisation de la chaleur: machines particulieres

    Feidt, M. [Universite Henri Poincare - Nancy-1, 54 - Nancy (France)

    2003-10-01

    The machines presented in this article are not the common reverse cycle machines. They use some systems based on different physical principles which have some consequences on the analysis of cycles: 1 - permanent gas machines (thermal separators, pulse gas tube, thermal-acoustic machines); 2 - phase change machines (mechanical vapor compression machines, absorption machines, ejection machines, adsorption machines); 3 - thermoelectric machines (thermoelectric effects, thermodynamic model of a thermoelectric machine). (J.S.)

  13. Dynamically fluctuating electric dipole moments in fullerene-based magnets.

    Kambe, Takashi; Oshima, Kokichi

    2014-09-19

    We report here the direct evidence of the existence of a permanent electric dipole moment in both crystal phases of a fullerene-based magnet--the ferromagnetic α-phase and the antiferromagnetic α'-phase of tetra-kis-(dimethylamino)-ethylene-C60 (TDAE-C60)--as determined by dielectric measurements. We propose that the permanent electric dipole originates from the pairing of a TDAE molecule with surrounding C60 molecules. The two polymorphs exhibit clear differences in their dielectric responses at room temperature and during the freezing process with dynamically fluctuating electric dipole moments, although no difference in their room-temperature structures has been previously observed. This result implies that two polymorphs have different local environment around the molecules. In particular, the ferromagnetism of the α-phase is founded on the homogeneous molecule displacement and orientational ordering. The formation of the different phases with respect to the different rotational states in the Jahn-Teller distorted C60s is also discussed.

  14. Electron transport in doped fullerene molecular junctions

    Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

    The effect of doping on the electron transport of molecular junctions is analyzed in this paper. The doped fullerene molecules are stringed to two semi-infinite gold electrodes and analyzed at equilibrium and nonequilibrium conditions of these device configurations. The contemplation is done using nonequilibrium Green’s function (NEGF)-density functional theory (DFT) to evaluate its density of states (DOS), transmission coefficient, molecular orbitals, electron density, charge transfer, current, and conductance. We conclude from the elucidated results that Au-C16Li4-Au and Au-C16Ne4-Au devices behave as an ordinary p-n junction diode and a Zener diode, respectively. Moreover, these doped fullerene molecules do not lose their metallic nature when sandwiched between the pair of gold electrodes.

  15. Preparation of fullerene/glass composites

    Mattes, Benjamin R.; McBranch, Duncan W.; Robinson, Jeanne M.; Koskelo, Aaron C.; Love, Steven P.

    1995-01-01

    Synthesis of fullerene/glass composites. A direct method for preparing solid solutions of C.sub.60 in silicon dioxide (SiO.sub.2) glass matrices by means of sol-gel chemistry is described. In order to produce highly concentrated fullerene-sol-gel-composites it is necessary to increase the solubility of these "guests" in a delivery solvent which is compatible with the starter sol (receiving solvent). Sonication results in aggregate disruption by treatment with high frequency sound waves, thereby accelerating the rate of hydrolysis of the alkoxide precursor, and the solution process for the C.sub.60. Depending upon the preparative procedure, C.sub.60 dispersed within the glass matrix as microcrystalline domains, or dispersed as true molecular solutions of C.sub.60 in a solid glass matrix, is generated by the present method.

  16. Lateral translation of covalently bound fullerenes

    Humphry, M J; Beton, P H; Keeling, D L; Fawcett, R H J; Moriarty, P; Butcher, M J; Birkett, P R; Walton, D R M; Taylor, R; Kroto, H W

    2006-01-01

    Lateral manipulation of fullerenes on clean silicon surfaces may be induced by either an attractive or repulsive interaction between adsorbed molecules and the tip of a scanning probe microscope, and can result in a complex response arising from molecular rolling. The model for rolling is supported by new results which show that manipulation is suppressed for adsorbed functionalized fullerenes due to the presence of phenyl sidegroups. The influence of varying the dwell time of the tip during manipulation is also reported. By reducing this time to a value which is less than the response time of the feedback control loop it is possible to induce manipulation in a quasi-constant height mode which is accompanied by large increases/decreases in current

  17. Boron hydride analogues of the fullerenes

    Quong, A.A.; Pederson, M.R.; Broughton, J.Q.

    1994-01-01

    The BH moiety is isoelectronic with C. We have studied the stability of the (BH) 60 analogue of the C 60 fullerene as well as the dual-structure (BH) 32 icosahedron, both of them being putative structures, by performing local-density-functional electronic calculations. To aid in our analysis, we have also studied other homologues of these systems. We find that the latter, i.e., the dual structure, is the more stable although the former is as stable as one of the latter's lower homologues. Boron hydrides, it seems, naturally form the dual structures used in algorithmic optimization of complex fullerene systems. Fully relaxed geometries are reported as well as electron affinities and effective Hubbard U parameters. These systems form very stable anions and we conclude that a search for BH analogues of the C 60 alkali-metal supeconductors might prove very fruitful

  18. Fullerene nanostructure design with cluster ion impacts

    Lavrentiev, Vasyl; Vacík, Jiří; Naramoto, H.; Narumi, K.

    2009-01-01

    Roč. 483, - (2009), s. 479-483 ISSN 0925-8388 R&D Projects: GA AV ČR IAA200480702; GA AV ČR IAA400100701; GA AV ČR(CZ) KAN400480701 Institutional research plan: CEZ:AV0Z10480505 Keywords : fullerene films, clusters C60+ * cluster ion implantation * patterning Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 2.135, year: 2009

  19. PREFACE: Fullerene Nano Materials (Symposium of IUMRS-ICA2008)

    Miyazawa, Kun'ichi; Fujita, Daisuke; Wakahara, Takatsugu; Kizuka, Tokushi; Matsuishi, Kiyoto; Ochiai, Yuichi; Tachibana, Masaru; Ogata, Hironori; Mashino, Tadahiko; Kumashiro, Ryotaro; Oikawa, Hidetoshi

    2009-07-01

    This volume contains peer-reviewed invited and contributed papers that were presented in Symposium N 'Fullerene Nano Materials' at the IUMRS International Conference in Asia 2008 (IUMRS-ICA 2008), which was held on 9-13 December 2008, at Nagoya Congress Center, Nagoya, Japan. Over twenty years have passed since the discovery of C60 in 1985. The discovery of superconductivity of C60 in 1991 suggested infinite possibilities for fullerenes. On the other hand, a new field of nanocarbon has been developed recently, based on novel functions of the low-dimensional fullerene nanomaterials that include fullerene nanowhiskers, fullerene nanotubes, fullerene nanosheets, chemically modified fullerenes, endohedral fullerenes, thin films of fullerenes and so forth. Electrical, electrochemical, optical, thermal, mechanical and various other properties of fullerene nanomaterials have been investigated and their novel and anomalous nature has been reported. Biological properties of fullerene nanomaterials also have been investigated both in medical applications and toxicity aspects. The recent research developments of fullerene nanomaterials cover a variety of categories owing to their functional diversity. This symposium aimed to review the progress in the state-of-the-art technology based on fullerenes and to offer the forum for active interdisciplinary discussions. 24 oral papers containing 8 invited papers and 22 poster papers were presented at the two-day symposium. Topics on the social acceptance of nanomaterials including fullerene were presented on the first day of the symposium. Biological impacts of nanomaterials and the importance of standardization of nanomaterials characterization were also shown. On the second day, the synthesis, properties, functions and applications of various fullerene nanomaterials were shown in both the oral and poster presentations. We are grateful to all invited speakers and many participants for valuable contributions and active discussions

  20. Growth of thin fullerene films by matrix assisted pulsed laser evaporation

    Canulescu, Stela; Schou, Jørgen; Fæster, Søren

    C60 fullerene thin films of average thickness of more than 100 nm on silicon substrates can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.......5 J/cm2 the dominant fraction of the film molecules are C60 transferred to the substrate without any fragmentation. For high fluences high-resolution SEM images of MAPLE deposited films reveal large circular features on the surface with high amount of material concentrated at edges. These features......, observed over a wide range of laser fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in films...

  1. Surfactant-free fabrication of fullerene C{sub 60} nanotubules under shear

    Vimalanathan, Kasturi; Raston, Colin L. [Flinders Centre for NanoScale Science Technology (CNST) Chemical and Physical Sciences, Flinders University, Adelaide (Australia); Shrestha, Rekha Goswami [International Centre for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki (Japan); Zhang, Zhi; Zou, Jin [Materials Engineering and Centre for Microscopy and Microanalysis, University of Queensland, Brisbane, QLD (Australia); Nakayama, Tomonobu [International Centre for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, Ibaraki (Japan)

    2017-07-10

    A method for controlling the self-assembly of fullerene C{sub 60} molecules into nanotubules in the fcc phase, devoid of entrapped solvent, has been established in a thin film microfluidic device. The micron length C{sub 60} nanotubules, with individual hollow diameters of 100 to 400 nm, are formed under continuous flow processing during high shear micromixing of water and a toluene solution of the fullerene, in the absence of surfactant, and without the need for further down-stream processing. TEM revealed pores on the surface of the nanotubes, and the isolated material has a much higher response to small molecule sensing than that for analogous material formed using multistep batch processing. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Matrix Assisted Pulsed Laser Evaporation for growth of fullerene thin films

    Canulescu, Stela; Schou, Jørgen; Fæster Nielsen, Søren

    C60 fullerene thin films of average thickness of more than 100 nm can be produced in vacuum by matrix-assisted pulsed laser evaporation (MAPLE). A 355 nm Nd:YAG laser was directed onto a frozen target of anisole with a concentration of 0.67 wt% C60. At laser fluences below 1.5 J/cm2, a dominant...... fraction of the film molecules are C60 transferred to the substrate without any fragmentation. Highresolution SEM images of MAPLE deposited films reveal large circular droplets on the surface with high amount of material concentrated at edges (Fig. 1A). These features, observed over a wide range of laser...... fluences, are caused by ejection of large matrix-fullerene liquid droplets into the gas-phase and subsequent deposition. At similar laser energies, but using an unfocused laser beam, MAPLE favours evaporation of matrix and organic molecules, resulting in production of films with smooth surfaces and minimal...

  3. Redox potentials and binding enhancement of fullerene and fullerene-cyclodextrin systems in water and dimethylsulfoxide

    Pospíšil, Lubomír; Hromadová, Magdaléna; Gál, Miroslav; Kocábová, Jana; Sokolová, Romana; Filippone, S.; Yang, J.; Guan, Z.; Rassat, A.; Zhang, Y.

    2010-01-01

    Roč. 48, č. 1 (2010), s. 153-162 ISSN 0008-6223 R&D Projects: GA ČR GA203/09/0705; GA ČR GA203/08/1157; GA ČR GP203/09/P502; GA MŠk LC510; GA MŠk ME09114; GA MŠk OC 140 Institutional research plan: CEZ:AV0Z40400503 Keywords : electrochemistry * fullerene s * fullerene -cyclodextrin systems Subject RIV: CG - Electrochemistry Impact factor: 4.893, year: 2010

  4. In vivo biology and toxicology of fullerenes and their derivatives

    Nielsen, Gunnar Damgård; Roursgaard, Martin; Jensen, Keld Alstrup

    2008-01-01

    Fullerenes represent a group of nanoparticles discovered in 1985. They are spherical molecules consisting entirely of carbon atoms (C(x)) to which side chains can be added, furnishing compounds with widely different properties. Fullerenes interact with biological systems, for example, by enzyme i...

  5. Nuclear reactions and radionuclides in the study of fullerenes

    Nakahara, H.; Sueki, K.; Sato, W.; Akiyama, K.

    2000-01-01

    Radiochemical techniques have been applied in various ways to the study of fullerenes and metallofullerenes for the past several years, and they have provided invaluable information pertaining to the stability, structures, and formation of the novel carbon material. This paper reviews those experimental results that have fully shown the usefullness and uniqueness of radionuclides demonstrated in the field of fullerene science. (author)

  6. Rigid rod spaced fullerene as building block for nanoclusters

    By using phenylacetylene based rigid-rod linkers (PhA), we have successfully synthesized two fullerene derivatives, C60-PhA and C60-PhA-C60. The absorption spectral features of C60, as well as that of the phenylacetylene moiety are retained in the monomeric forms of these fullerene derivatives, ruling out the possibility ...

  7. Nanoencapsulation of Fullerenes in Organic Structures with Nonpolar Cavities

    Murthy, C. N.

    2005-01-01

    The formation of supramolecular structures, assemblies, and arrays held together by weak intermolecular interactions and non-covalent binding mimicking natural processes has been used in applications being anticipated in nanotechnology, biotechnology and the emerging field of nanomedicine. Encapsulation of C 60 fullerene by cyclic molecules like cyclodextrins and calixarenes has potential for a number of applications. Similarly, biomolecules like lysozyme also have been shown to encapsulate C 60 fullerene. This poster article reports the recent trends and the results obtained in the nanoencapsulation of fullerenes by biomolecules containing nonpolar cavities. Lysozyme was chosen as the model biomolecule and it was observed that there is no covalent bond formed between the bimolecule and the C 60 fullerene. This was confirmed from fluorescence energy transfer studies. UV-Vis studies further supported this observation that it is possible to selectively remove the C 60 fullerene from the nonpolar cavity. This behavior has potential in biomedical applications

  8. Th(IV Adsorption onto Oxidized Multi-Walled Carbon Nanotubes in the Presence of Hydroxylated Fullerene and Carboxylated Fullerene

    Wangsuo Wu

    2013-09-01

    Full Text Available The adsorption of Th(IV onto the surface of oxidized multi-walled carbon nanotubes (oMWCNTs in the absence and presence of hydroxylated fullerene (C60(OHn and carboxylated fullerene (C60(C(COOH2n has been investigated. C60(OHn, C60(C(COOH2n and oMWCNTs have been chosen as model phases because of their representative in carbon nano-materials family. Adsorption experiments were performed by batch procedure as a function of contact time, pH, ionic strength, and temperature. The results demonstrated that the adsorption of Th(IV was rapidly reached equilibrium and the kinetic process could be described by a pseudo-second-order rate model very well. Th(IV adsorption on oMWCNTs was dependent on pH but independent on ionic strength. Adsorption isotherms were correlated better with the Langmuir model than with the Freundlich model. The thermodynamic parameters calculated from temperature-dependent adsorption isotherms suggested that Th(IV adsorption on oMWCNTs was spontaneous and endothermic. Compared with the adsorption of Th(IV on the same oMWCNTs free of C60(OHn or C60(C(COOH2n, the study of a ternary system showed the inhibition effect of C60(OHn at high concentration on the adsorption of Th(IV in a pH range from neutral to slightly alkaline; whereas the promotion effect of C60(C(COOH2n, even at its low concentration, on Th(IV adsorption was observed in acid medium.

  9. Th(IV) Adsorption onto Oxidized Multi-Walled Carbon Nanotubes in the Presence of Hydroxylated Fullerene and Carboxylated Fullerene.

    Wang, Jing; Liu, Peng; Li, Zhan; Qi, Wei; Lu, Yan; Wu, Wangsuo

    2013-09-17

    The adsorption of Th(IV) onto the surface of oxidized multi-walled carbon nanotubes (oMWCNTs) in the absence and presence of hydroxylated fullerene (C 60 (OH) n ) and carboxylated fullerene (C 60 (C(COOH)₂) n ) has been investigated. C 60 (OH) n , C 60 (C(COOH)₂) n and oMWCNTs have been chosen as model phases because of their representative in carbon nano-materials family. Adsorption experiments were performed by batch procedure as a function of contact time, pH, ionic strength, and temperature. The results demonstrated that the adsorption of Th(IV) was rapidly reached equilibrium and the kinetic process could be described by a pseudo-second-order rate model very well. Th(IV) adsorption on oMWCNTs was dependent on pH but independent on ionic strength. Adsorption isotherms were correlated better with the Langmuir model than with the Freundlich model. The thermodynamic parameters calculated from temperature-dependent adsorption isotherms suggested that Th(IV) adsorption on oMWCNTs was spontaneous and endothermic. Compared with the adsorption of Th(IV) on the same oMWCNTs free of C 60 (OH) n or C 60 (C(COOH)₂) n , the study of a ternary system showed the inhibition effect of C 60 (OH) n at high concentration on the adsorption of Th(IV) in a pH range from neutral to slightly alkaline; whereas the promotion effect of C 60 (C(COOH)₂) n , even at its low concentration, on Th(IV) adsorption was observed in acid medium.

  10. Chemical Reaction and Flow Modeling in Fullerene and Nanotube Production

    Scott, Carl D.; Farhat, Samir; Greendyke, Robert B.

    2004-01-01

    addresses modeling of the arc process for fullerene and carbon nanotube production using O-D, 1-D and 2-D fluid flow models. The third part addresses simulations of the pulsed laser ablation process using time-dependent techniques in 2-D, and a steady state 2-D simulation of a continuous laser ablation process. The fourth part addresses steady state modeling in O-D and 2-D of the HiPco process. In each of the simulations, there is a variety of simplifications that are made that enable one to concentrate on one aspect or another of the process. There are simplifications that can be made to the chemical reaction models , e.g. reduction in number of species by lumping some of them together in a representative species. Other simulations are carried out by eliminating the chemistry altogether in order to concentrate on the fluid dynamics. When solving problems with a large number of species in more than one spatial dimension, it is almost imperative that the problem be decoupled by solving for the fluid dynamics to find the fluid motion and temperature history of "particles" of fluid moving through a reactor. Then one can solve the chemical rate equations with complex chemistry following the temperature and pressure history. One difficulty is that often mixing with an ambient gas is involved. Therefore, one needs to take dilution and mixing into account. This changes the ratio of carbon species to background gas. Commercially available codes may have no provision for including dilution as part of the input. One must the write special solvers for including dilution in decoupled problems. The article addresses both ful1erene production and single-walled carbon nanotube (SWNT) production. There are at least two schemes or concepts of SWNT growth. This article will only address growth in the gas phase by carbon and catalyst cluster growth and SW T formation by the addition of carbon. There are other models that conceive of SWNT growth as a phase separation process from clusters me

  11. Competitive photometric enzyme immunoassay for fullerene C60 and its derivatives using a fullerene conjugated to horseradish peroxidase

    Hendrickson, Olga D.; Smirnova, Natalya I.; Zherdev, Anatoly V.; Dzantiev, Boris B.; Sveshnikov, Peter G.

    2016-01-01

    The article describes a highly sensitive single-step microplate enzyme immunoassay of the ELISA type for fullerene C 60 and its derivatives. Monoclonal anti-fullerene antibodies and a conjugate between fullerene and horseradish peroxidase were used as specific reagents. A direct competitive ELISA was carried out that was based on antibodies immobilized in the well of a microtiter plate, a peroxidase-labeled antigen, and detection via the dye formed from 3,3′,5,5′-tetramethylbenzidine and hydrogen peroxide. Both pristine fullerene C 60 and its water-soluble forms can be determined. The detection limits are 1.5 ng∙mL −1 for fullerene C 60 , and between 0.1 and 1.3 ng∙mL −1 for its derivatives. This ELISA format allows for almost two-fold reduction of the time needed for the assay in comparison to indirect scheme with labeled antibodies. (author)

  12. Fullerenes and fullerides - a kay to the advanced technologies of the 21st century in electrical engineering

    Trzaska, Z.

    2001-01-01

    Structures, properties, and methods of manufacturing of fullerenes as well as fullerides are described in the paper. These quite new materials known since beginning of the last decade represent the third crystallographic phase of the carbon and they belong to the nanostructural particles. They have been established during the past decade and awarded by the Nobel prize in 1996. The fullerene C 60 appears as a typical representative of this very large class od new nanostructural materials. Their possibilities and potential applications in the field of electrical engineering have been discussed. Because of many characteristic and useful properties of the fullerenes and fullerides their competition with respect to some materials frequently up-to-date used in the practice is proved. Examples of potential fields of applications, such as superconductors, electronic devices, effective measuring transducers of non-electric signals are also presented. Taking into account the high efficiency of the electric arc method which is widely used for manufacturing the fullerenes at the commercial level a prediction has been made that the dissemination of these new materials in the future industry creates a very good basis for a development of small and medium enterprises in the domain of electrical engineering. (author)

  13. Fullerenes vs fulleroids. Understanding their relative energies

    Warner, P.M. (Northeastern Univ., Boston, MA (United States))

    1994-11-30

    Both force-field (MMPI) and AMI (restricted and unrestricted HF) calculations are herein used to investigate the underlying reasons for the fullerene-fulleroid structural dichotomies observed in carbene, silylene, nitrene, and oxygen adducts of C[sub 60]. Via the investigation of a series of model systems, it is demonstrated that curvature actually favors the open, fulleroid structure; this effect of curvature on the norcaradiene-cycloheptatriene equilibrium is general. Strategies for the creation of 6,6-bridged fulleroids are suggested. 29 refs., 6 tabs.

  14. Production of anti-fullerene C{sub 60} polyclonal antibodies and study of their interaction with a conjugated form of fullerene

    Hendrickson, O. D., E-mail: odhendrick@gmail.com; Fedyunina, N. S. [Russian Academy of Sciences, Institute of Biochemistry (Russian Federation); Martianov, A. A. [Moscow State University (Russian Federation); Zherdev, A. V.; Dzantiev, B. B. [Russian Academy of Sciences, Institute of Biochemistry (Russian Federation)

    2011-09-15

    The aim of this study was to produce anti-fullerene C{sub 60} antibodies for the development of detection systems for fullerene C{sub 60} derivatives. To produce anti-fullerene C{sub 60} antibodies, conjugates of the fullerene C{sub 60} carboxylic derivative with thyroglobulin, soybean trypsin inhibitor, and bovine serum albumin were synthesized by carbodiimide activation and characterized. Immunization of rabbits by the conjugates led to the production of polyclonal anti-fullerene antibodies. The specificity of the immune response to fullerene was investigated. Indirect competitive immunoenzyme assay was developed for the determination of conjugated fullerene with detection limits of 0.04 ng/mL (calculated for coupled C{sub 60}) and 0.4 ng/mL (accordingly to total fullerene-protein concentration).

  15. Chaotic Boltzmann machines

    Suzuki, Hideyuki; Imura, Jun-ichi; Horio, Yoshihiko; Aihara, Kazuyuki

    2013-01-01

    The chaotic Boltzmann machine proposed in this paper is a chaotic pseudo-billiard system that works as a Boltzmann machine. Chaotic Boltzmann machines are shown numerically to have computing abilities comparable to conventional (stochastic) Boltzmann machines. Since no randomness is required, efficient hardware implementation is expected. Moreover, the ferromagnetic phase transition of the Ising model is shown to be characterised by the largest Lyapunov exponent of the proposed system. In general, a method to relate probabilistic models to nonlinear dynamics by derandomising Gibbs sampling is presented. PMID:23558425

  16. Effect of beta phase composition and surface machining on the oxidation behavior of Zr-2.5Nb pressure tube material

    Nouduru, S.K.; Kiran Kumar, M.; Kain, V.; Khanna, A.S.

    2015-01-01

    Zr-2.5Nb is commonly used as the pressure tube material in pressurized heavy water reactors. it is also the pressure tube material for Advanced Heavy Water Reactor (AHWR) being developed indigenously in India with light water as coolant and water chemistry similar to Boiling Water Reactors (BWR). Oxidation of the pressure tube depends on various factors like material composition, microstructure, fabrication route, and water chemistry. In the present research, the role of the composition and morphology of second phase β on the high temperature and pressure oxidation behavior of Zr-2.5Nb pressure tube material in steam was systematically studied. The as-received pressure tube material (fabricated through cold worked and stress relieved, CWSR route) was subjected to selective heat treatments to generate microstructures containing predominantly β(Zr) (∼ 20% Nb) and β(Nb) (∼ 80% Nb) phases. The presence of such phases was characterized by X-ray diffraction and transmission electron microscopy-energy dispersive spectroscopy. Subsequently both the heat treated materials were subjected to surface machining. The Zr-2.5Nb material in different microstructural conditions was subjected to accelerated oxidation exposures in steam at 400 C. degrees, and 10 MPa pressure up to 30 days. Raman spectroscopy was carried out on the oxide surfaces to observe the variation in tetragonal versus monoclinic phase fractions with oxidation duration. The microstructure consisting of predominantly β(Nb) showed a relatively improved oxidation resistance as compared to the one with predominantly β(Zr). The tetragonal phase fraction in the oxide film decreased with oxidation time in all microstructural conditions and was found to be the least in the microstructure containing β(Zr) after 10 days of exposures. The explanation for the observed higher oxidation resistance of β(Nb) microstructure lies in the context of depleted matrix Nb content in the case of β(Nb). Surface machining

  17. MLViS: A Web Tool for Machine Learning-Based Virtual Screening in Early-Phase of Drug Discovery and Development.

    Korkmaz, Selcuk; Zararsiz, Gokmen; Goksuluk, Dincer

    2015-01-01

    Virtual screening is an important step in early-phase of drug discovery process. Since there are thousands of compounds, this step should be both fast and effective in order to distinguish drug-like and nondrug-like molecules. Statistical machine learning methods are widely used in drug discovery studies for classification purpose. Here, we aim to develop a new tool, which can classify molecules as drug-like and nondrug-like based on various machine learning methods, including discriminant, tree-based, kernel-based, ensemble and other algorithms. To construct this tool, first, performances of twenty-three different machine learning algorithms are compared by ten different measures, then, ten best performing algorithms have been selected based on principal component and hierarchical cluster analysis results. Besides classification, this application has also ability to create heat map and dendrogram for visual inspection of the molecules through hierarchical cluster analysis. Moreover, users can connect the PubChem database to download molecular information and to create two-dimensional structures of compounds. This application is freely available through www.biosoft.hacettepe.edu.tr/MLViS/.

  18. Morphology control of polymer: Fullerene solar cells by nanoparticle self-assembly

    Zhang, Wenluan

    During the past two decades, research in the field of polymer based solar cells has attracted great effort due to their simple processing, mechanical flexibility and potential low cost. A standard polymer solar cell is based on the concept of a bulk-heterojunction composed of a conducting polymer as the electron donor and a fullerene derivative as the electron acceptor. Since the exciton lifetime is limited, this places extra emphasis on control of the morphology to obtain improved device performance. In this thesis, detailed characterization and novel morphological design of polymer solar cells was studied, in addition, preliminary efforts to transfer laboratory scale methods to industrialized device fabrication was made. Magnetic contrast neutron reflectivity was used to study the vertical concentration distribution of fullerene nanoparticles within poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2- b]thiophene (pBTTT) thin film. Due to the wide space between the side chains of polymer, these fullerene nanoparticles intercalate between them creating a stable co-crystal structure. Therefore, a high volume fraction of fullerene was needed to obtain optimal device performance as phase separated conductive pathways are required and resulted in a homogeneous fullerene concentration profile through the film. Small angle neutron scattering was used to find there is amorphous fullerene even at lower concentration since it was previously believed that all fullerene formed a co-crystal. These fullerene molecules evolve into approximately 15 nm sized agglomerates at higher concentrations to improve electron transport. Unfortunately, thermal annealing gives these agglomerates mobility to form micrometer sized crystals and reduce the device performance. In standard poly(3-hexylthiophene) (P3HT):[6,6]-phenyl-C61-butyric acid methyl ester (PCMBM) solar cells, a higher concentration of PCBM at the cathode interface is desired due to the band alignment structure. This was

  19. Machine-Learning Inspired Seismic Phase Detection for Aftershocks of the 2008 MW7.9 Wenchuan Earthquake

    Zhu, L.; Li, Z.; Li, C.; Wang, B.; Chen, Z.; McClellan, J. H.; Peng, Z.

    2017-12-01

    Spatial-temporal evolution of aftershocks is important for illumination of earthquake physics and for rapid response of devastative earthquakes. To improve aftershock catalogs of the 2008 MW7.9 Wenchuan earthquake in Sichuan, China, Alibaba cloud and China Earthquake Administration jointly launched a seismological contest in May 2017 [Fang et al., 2017]. This abstract describes how we handle this problem in this competition. We first used Short-Term Average/Long-Term Average (STA/LTA) and Kurtosis function to obtain over 55000 candidate phase picks (P or S). Based on Signal to Noise Ratio (SNR), about 40000 phases (P or S) are selected. So far, these 40000 phases have a hit rate of 40% among the manually picks. The causes include that 1) there exist false picks (neither P nor S); 2) some P and S arrivals are mis-labeled. To improve our results, we correlate the 40000 phases over continuous waveforms to obtain the phases missed by during the first pass. This results in 120,000 events. After constructing an affinity matrix based on the cross-correlation for newly detected phases, subspace clustering methods [Vidal 2011] are applied to group those phases into separated subspaces. Initial results show good agreement between empirical and clustered labels of P phases. Half of the empirical S phases are clustered into the P phase cluster. This may be a combined effect of 1) mislabeling isolated P phases to S phases and 2) clustering errors due to a small incomplete sample pool. Phases that were falsely detected in the initial results can be also teased out. To better characterize P and S phases, our next step is to apply subspace clustering methods directly to the waveforms, instead of using the cross-correlation coefficients of detected phases. After that, supervised learning, e.g., a convolutional neural network, can be employed to improve the pick accuracy. Updated results will be presented at the meeting.

  20. Simple method for determining fullerene negative ion formation★

    Felfli, Zineb; Msezane, Alfred Z.

    2018-04-01

    A robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C60 fullerene in the electron impact energy range 0.02 ≤ E ≤ 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer-Townsend minimum of the total cross section representing stable C60 - fullerene negative ion formation agrees excellently with the measured electron affinity of C60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C54 through C240. The total cross sections are found to be characterized generally by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C70, C76, C78, and C84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C86, C90 and C92 fullerenes with the estimated electron affinities ≥3.0 eV by the experiment [Boltalina et al., Rapid Commun. Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C180 and C240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

  1. Machine Shop Grinding Machines.

    Dunn, James

    This curriculum manual is one in a series of machine shop curriculum manuals intended for use in full-time secondary and postsecondary classes, as well as part-time adult classes. The curriculum can also be adapted to open-entry, open-exit programs. Its purpose is to equip students with basic knowledge and skills that will enable them to enter the…

  2. Fullerenes: prospects of using in medicine, biology and ecology

    D. V. Schur

    2012-02-01

    Full Text Available Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydrogen with formation of hydrofullerit C60H60. The usage of fullerenes for accumulation and storage of hydrogen enhances the prospects of clean hydrogen energy development.

  3. Inorganic Fullerene-Like Nanoparticles and Inorganic Nanotubes

    Reshef Tenne

    2014-11-01

    Full Text Available Fullerene-like nanoparticles (inorganic fullerenes; IF and nanotubes of inorganic layered compounds (inorganic nanotubes; INT combine low dimensionality and nanosize, enhancing the performance of corresponding bulk counterparts in their already known applications, as well as opening new fields of their own [1]. This issue gathers articles from the diverse area of materials science and is devoted to fullerene-like nanoparticles and nanotubes of layered sulfides and boron nitride and collects the most current results obtained at the interface between fundamental research and engineering.[...

  4. Topological edge properties of C60+12n fullerenes

    A. Mottaghi

    2013-06-01

    Full Text Available A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene molecules containing 60 + 12n carbon atoms.

  5. Continuum simulations of water flow past fullerene molecules

    Popadic, A.; Praprotnik, M.; Koumoutsakos, P.

    2015-01-01

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...

  6. Electron scattering on metal clusters and fullerenes

    Solov'yov, A.V.

    2001-01-01

    This paper gives a survey of physical phenomena manifesting themselves in electron scattering on atomic clusters. The main emphasis is made on electron scattering on fullerenes and metal clusters, however some results are applicable to other types of clusters as well. This work is addressed to theoretical aspects of electron-cluster scattering, however some experimental results are also discussed. It is demonstrated that the electron diffraction plays important role in the formation of both elastic and inelastic electron scattering cross sections. It is elucidated the essential role of the multipole surface and volume plasmon excitations in the formation of electron energy loss spectra on clusters (differential and total, above and below ionization potential) as well as the total inelastic scattering cross sections. Particular attention is paid to the elucidation of the role of the polarization interaction in low energy electron-cluster collisions. This problem is considered for electron attachment to metallic clusters and the plasmon enhanced photon emission. Finally, mechanisms of electron excitation widths formation and relaxation of electron excitations in metal clusters and fullerenes are discussed. (authors)

  7. Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm

    Artrith, Nongnuch; Urban, Alexander; Ceder, Gerbrand

    2018-06-01

    The atomistic modeling of amorphous materials requires structure sizes and sampling statistics that are challenging to achieve with first-principles methods. Here, we propose a methodology to speed up the sampling of amorphous and disordered materials using a combination of a genetic algorithm and a specialized machine-learning potential based on artificial neural networks (ANNs). We show for the example of the amorphous LiSi alloy that around 1000 first-principles calculations are sufficient for the ANN-potential assisted sampling of low-energy atomic configurations in the entire amorphous LixSi phase space. The obtained phase diagram is validated by comparison with the results from an extensive sampling of LixSi configurations using molecular dynamics simulations and a general ANN potential trained to ˜45 000 first-principles calculations. This demonstrates the utility of the approach for the first-principles modeling of amorphous materials.

  8. Development of the self-learning machine for creating models of microprocessor of single-phase earth fault protection devices in networks with isolated neutral voltage above 1000 V

    Utegulov, B. B.; Utegulov, A. B.; Meiramova, S.

    2018-02-01

    The paper proposes the development of a self-learning machine for creating models of microprocessor-based single-phase ground fault protection devices in networks with an isolated neutral voltage higher than 1000 V. Development of a self-learning machine for creating models of microprocessor-based single-phase earth fault protection devices in networks with an isolated neutral voltage higher than 1000 V. allows to effectively implement mathematical models of automatic change of protection settings. Single-phase earth fault protection devices.

  9. The Influence of Solvent Additive on Polymer Solar Cells Employing Fullerene and Non-Fullerene Acceptors

    Song, Xin

    2017-11-27

    Small-molecule-based non-fullerene acceptors (NFAs) are emerging as a new field in organic photovoltaics, due to their structural versatility, the tunability of their energy levels, and their ease of synthesis. High-efficiency polymer donors have been tested with these non-fullerene acceptors in order to further boost the efficiency of organic solar cells. Most of the polymer:fullerene systems are optimized with solvent additives for high efficiency, while little attention has been paid to NFA-based solar cells so far. In this report, the effect of the most common additive, 1,8-diiodooctane (DIO), on PTB7-Th:PC71BM solar cells is investigated and it is compared with non-fullerene acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno-[1,2-b:5,6b′]di-thiophene (ITIC) devices. It is interesting that the high boiling solvent additive does have a negative impact on the power conversion efficiency when PTB7-Th is blended with ITIC acceptor. The solar cell devices are studied in terms of their optical, photophysical, and morphological properties and find out that PTB7-Th:ITIC devices with DIO results in coarser domains, reduced absorption strength, and slightly lower mobility, while DIO improves the absorption strength of the PTB7-Th:PC71BM blend film and increase the aggregation of PC71BM in the blend, resulting in higher fill factor and Jsc.

  10. The Influence of Solvent Additive on Polymer Solar Cells Employing Fullerene and Non-Fullerene Acceptors

    Song, Xin; Gasparini, Nicola; Baran, Derya

    2017-01-01

    Small-molecule-based non-fullerene acceptors (NFAs) are emerging as a new field in organic photovoltaics, due to their structural versatility, the tunability of their energy levels, and their ease of synthesis. High-efficiency polymer donors have been tested with these non-fullerene acceptors in order to further boost the efficiency of organic solar cells. Most of the polymer:fullerene systems are optimized with solvent additives for high efficiency, while little attention has been paid to NFA-based solar cells so far. In this report, the effect of the most common additive, 1,8-diiodooctane (DIO), on PTB7-Th:PC71BM solar cells is investigated and it is compared with non-fullerene acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2′,3′-d′]-s-indaceno-[1,2-b:5,6b′]di-thiophene (ITIC) devices. It is interesting that the high boiling solvent additive does have a negative impact on the power conversion efficiency when PTB7-Th is blended with ITIC acceptor. The solar cell devices are studied in terms of their optical, photophysical, and morphological properties and find out that PTB7-Th:ITIC devices with DIO results in coarser domains, reduced absorption strength, and slightly lower mobility, while DIO improves the absorption strength of the PTB7-Th:PC71BM blend film and increase the aggregation of PC71BM in the blend, resulting in higher fill factor and Jsc.

  11. Thermodynamics of TMPC/PSd/Fullerene Nanocomposites: SANS Study

    Chua, Yang-Choo; Chan, Alice; Wong, Him-Cheng; Higgins, Julia S.; Cabral, João T.

    2010-01-01

    ) analysis demonstrate that 1-2 mass % of C60 fullerenes destabilizes a highly interacting mixture of poly(tetramethyl bisphenol A polycarbonate) and deuterated polystyrene (TMPC/PSd). We unequivocally corroborate these findings with time-resolved temperature

  12. Electronic structure of single- and multiple-shell carbon fullerenes

    Lin, Y.; Nori, F.

    1994-01-01

    We study the electronic states of giant single-shell and the recently discovered nested multiple-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the π-state energy spectra of large fullerene cages: C 240 , C 540 , C 960 , C 1500 , C 2160 , and C 2940 . Our iteration technique reduces the size of the problem by more than one order of magnitude (factors of ∼12 and 20), while the symmetry-based approach reduces it by a factor of 10. We also find formulas for the highest occupied and lowest unoccupied molecular orbital energies of C 60n 2 fullerenes as a function of n, demonstrating a tendency towards a metallic regime for increasing n. For multiple-shell fullerenes, we analytically obtain the eigenvalues of the intershell interaction

  13. Exohedral and skeletal rearrangements in the molecules of fullerene derivatives

    Ignat' eva, Daria V; Ioffe, I N; Troyanov, Sergey I; Sidorov, Lev N [Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow (Russian Federation)

    2011-07-31

    The data on the migration of monoatomic addends, perfluoroalkyl and more complex organic groups in the molecules of fullerene derivatives published mainly in the last decade are analyzed. Skeletal rearrangements of the carbon cage occurring during chemical reactions are considered.

  14. Electronic structure of C and Si fullerenes and fullerides

    Saito, S.

    1996-01-01

    Fullerenes, i.e., cage-structure clusters are now studied intensively as a building unit for a new class of materials. The electronic structure of C 60 and Si 20 fullerenes and their fullerides obtained in the framework of the density-functional theory is discussed with emphasis on the electronic as well as the geometrical hierarchy in superconducting fullerides. In both C 60 and Si 20 fullerides, the charge transfer from alkali atoms to fullerenes and the hybridization between alkaline-earth states and fullerene states are observed. Also A 3 C 60 and (Ba 3 Si 3 Na rate at Si 20 ) 2 superconductors are found to have high Fermi-level density of states, although the mechanism giving it is different in two materials. Interesting materials to be produced in the future are also discussed. (orig.)

  15. Fullerenes: prospects of using in medicine, biology and ecology

    D. V. Schur; Z. Z. Matysina; S. Y. Zaginaichenko; N. P. Botsva; О. V. Elina

    2012-01-01

    Results of our own research and academic literature data on the properties of fullerenes and carbon nanotubes are analysed and summarized. Chemical stability of the structure and low toxicity of fullerenes determine their usage in medical chemistry, pharmacology and cosmetology. Due to its mechanical strength the nanotubes have become the basis of clean construction and barrier materials. It is shown that a matrix based on fullerit C60 can be obtained. It allows to store up to 7.7 wt. % hydro...

  16. Experimental and computational studies of Si-doped fullerenes

    Billas, I.M.L.; Tast, F.; Branz, W.; Malinowski, N.; Heinebrodt, M.; Martin, T.P.; Boero, M.; Massobrio, C.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany)

    1999-12-01

    Silicon in-cage doped fullerenes result from laser-induced photofragmentation of mixed clusters of composition C{sub 60}Si{sub x}. These parent clusters are produced in a low pressure condensation cell, through the mixing of silicon vapor with a vapor containing the preformed C{sub 60} molecules. The geometric and the electronic structures of fullerenes substitutionally doped with one and two silicon atoms are studied by ab-initio calculations within density functional theory. (orig.)

  17. Electronic Structure of Single- and Multiple-shell Carbon Fullerenes

    Lin, Yeong-Lieh; Nori, Franco

    1993-01-01

    We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on symmetry, to obtain the $\\pi$-state energy spectra of large fullerene cages: $C_{240}$, $C_{540}$, $C_{960}$, $C_{1500}$, $C_{2160}$ and $C_{2940}$. Our iteration technique reduces the dimensionality of the problem by more than one order of magnitude (factors of $\\...

  18. Optimizing Conditions for Ultrasound Extraction of Fullerenes from Coal Matrices

    Vítek, P.; Jehlička, J.; Frank, Otakar; Hamplová, Věra; Pokorná, Zdeňka; Juha, Libor; Boháček, J.

    2009-01-01

    Roč. 17, č. 2 (2009), s. 109-122 ISSN 1536-383X R&D Projects: GA ČR GA205/07/0772; GA ČR GA205/03/1468 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z10100520 Keywords : fullerene C60 * Ultrasound -assisted extraction * Extraction yield * Fullerene decomposition Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.710, year: 2009

  19. A novel hybrid model for air quality index forecasting based on two-phase decomposition technique and modified extreme learning machine.

    Wang, Deyun; Wei, Shuai; Luo, Hongyuan; Yue, Chenqiang; Grunder, Olivier

    2017-02-15

    The randomness, non-stationarity and irregularity of air quality index (AQI) series bring the difficulty of AQI forecasting. To enhance forecast accuracy, a novel hybrid forecasting model combining two-phase decomposition technique and extreme learning machine (ELM) optimized by differential evolution (DE) algorithm is developed for AQI forecasting in this paper. In phase I, the complementary ensemble empirical mode decomposition (CEEMD) is utilized to decompose the AQI series into a set of intrinsic mode functions (IMFs) with different frequencies; in phase II, in order to further handle the high frequency IMFs which will increase the forecast difficulty, variational mode decomposition (VMD) is employed to decompose the high frequency IMFs into a number of variational modes (VMs). Then, the ELM model optimized by DE algorithm is applied to forecast all the IMFs and VMs. Finally, the forecast value of each high frequency IMF is obtained through adding up the forecast results of all corresponding VMs, and the forecast series of AQI is obtained by aggregating the forecast results of all IMFs. To verify and validate the proposed model, two daily AQI series from July 1, 2014 to June 30, 2016 collected from Beijing and Shanghai located in China are taken as the test cases to conduct the empirical study. The experimental results show that the proposed hybrid model based on two-phase decomposition technique is remarkably superior to all other considered models for its higher forecast accuracy. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Oscillation of nested fullerenes (carbon onions) in carbon nanotubes

    Thamwattana, Ngamta; Hill, James M.

    2008-01-01

    Nested spherical fullerenes, which are sometimes referred to as carbon onions, of I h symmetries which have N(n) carbon atoms in the nth shell given by N(n) = 60n 2 are studied in this paper. The continuum approximation together with the Lennard-Jones potential is utilized to determine the resultant potential energy. High frequency nanoscale oscillators or gigahertz oscillators created from fullerenes and both single- and multi-walled carbon nanotubes have attracted much attention for a number of proposed applications, such as ultra-fast optical filters and ultra-sensitive nano-antennae that might impact on the development of computing and signalling nano-devices. Further, it is only at the nanoscale where such gigahertz frequencies can be achieved. This paper focuses on the interaction of nested fullerenes and the mechanics of such molecules oscillating in carbon nanotubes. Here we investigate such issues as the acceptance condition for nested fullerenes into carbon nanotubes, the total force and energy of the nested fullerenes, and the velocity and gigahertz frequency of the oscillating molecule. In particular, optimum nanotube radii are determined for which nested fullerenes oscillate at maximum velocity and frequency, which will be of considerable benefit for the design of future nano-oscillating devices

  1. Fullerenes and endohedrals as “big atoms”

    Amusia, M.Ya., E-mail: amusia@vms.huji.ac.il

    2013-03-12

    Highlights: ► Response of multi-electron atoms to radiation is determined by correlation effects. ► The response of fullerenes and endohedrals is characterized by strong resonances. ► Most important are confinement and Giant endohedral resonances. ► Fullerene is described as a zero-thickness polarizable shell. ► Electron exchange can play a very important role in inner shell ionization. - Abstract: We present the main features of the electronic structure of the heavy atoms that is best of all seen in photoionization. We acknowledge how important was and still is investigation of the interaction between atoms and low- and high frequency lasers with big intensity. We discuss the fullerenes and endohedrals as big atoms concentrating upon their most prominent features revealed in photoionization. Namely, we discuss reflection of photoelectron wave by the static potential that mimics the fullerenes electron shell and modification of the incoming photon beam under the action of the polarizable fullerenes shell. Both effects are clearly reflected in the photoionization cross-section. We discuss the possible features of interaction between laser field of both low and high frequency and high intensity upon fullerenes and endohedrals. We envisage prominent effects of multi-electron ionization and photon emission, including high-energy photons. We emphasize the important role that can be played by electron exchange in these processes.

  2. Fullerenes and endohedrals as “big atoms”

    Amusia, M.Ya.

    2013-01-01

    Highlights: ► Response of multi-electron atoms to radiation is determined by correlation effects. ► The response of fullerenes and endohedrals is characterized by strong resonances. ► Most important are confinement and Giant endohedral resonances. ► Fullerene is described as a zero-thickness polarizable shell. ► Electron exchange can play a very important role in inner shell ionization. - Abstract: We present the main features of the electronic structure of the heavy atoms that is best of all seen in photoionization. We acknowledge how important was and still is investigation of the interaction between atoms and low- and high frequency lasers with big intensity. We discuss the fullerenes and endohedrals as big atoms concentrating upon their most prominent features revealed in photoionization. Namely, we discuss reflection of photoelectron wave by the static potential that mimics the fullerenes electron shell and modification of the incoming photon beam under the action of the polarizable fullerenes shell. Both effects are clearly reflected in the photoionization cross-section. We discuss the possible features of interaction between laser field of both low and high frequency and high intensity upon fullerenes and endohedrals. We envisage prominent effects of multi-electron ionization and photon emission, including high-energy photons. We emphasize the important role that can be played by electron exchange in these processes

  3. Synthetic Strategies towards Fullerene-Rich Dendrimer Assemblies

    Jean-François Nierengarten

    2012-02-01

    Full Text Available The sphere-shaped fullerene has attracted considerable interest not least due to the peculiar electronic properties of this carbon allotrope and the fascinating materials emanating from fullerene-derived structures. The rapid development and tremendous advances in organic chemistry allow nowadays the modification of C60 to a great extent by pure chemical means. It is therefore not surprising that the fullerene moiety has also been part of dendrimers. At the initial stage, fullerenes have been examined at the center of the dendritic structure mainly aimed at possible shielding effects as exerted by the dendritic environment and light-harvesting effects due to multiple chromophores located at the periphery of the dendrimer. In recent years, also many research efforts have been devoted towards fullerene-rich nanohybrids containing multiple C60 units in the branches and/or as surface functional groups. In this review, synthetic efforts towards the construction of dendritic fullerene-rich nanostructures have been compiled and will be summarized herein.

  4. Roll-coating fabrication of flexible organic solar cells: comparison of fullerene and fullerene-free systems

    Liu, Kuan; Larsen-Olsen, Thue Trofod; Lin, Yuze

    2016-01-01

    Flexible organic solar cells (OSCs) based on a blend of low-bandgap polymer donor PTB7-TH and nonfullerene small molecule acceptor IEIC were fabricated via a roll-coating process under ambient atmosphere. Both an indium tin oxide (ITO)-free substrate and a flexible ITO substrate were employed...... in these inverted OSCs. OSCs with flexible ITO and ITO-free substrates exhibited power conversion efficiencies (PCEs) up to 2.26% and 1.79%, respectively, which were comparable to those of the reference devices based on fullerene acceptors under the same conditions. This is the first example for all roll......-coating fabrication procedures for flexible OSCs based on non-fullerene acceptors with the PCE exceeding 2%. The fullerene-free OSCs exhibited better dark storage stability than the fullerene-based control devices....

  5. Efficient Regular Perovskite Solar Cells Based on Pristine [70]Fullerene as Electron-Selective Contact.

    Collavini, Silvia; Kosta, Ivet; Völker, Sebastian F; Cabanero, German; Grande, Hans J; Tena-Zaera, Ramón; Delgado, Juan Luis

    2016-06-08

    [70]Fullerene is presented as an efficient alternative electron-selective contact (ESC) for regular-architecture perovskite solar cells (PSCs). A smart and simple, well-described solution processing protocol for the preparation of [70]- and [60]fullerene-based solar cells, namely the fullerene saturation approach (FSA), allowed us to obtain similar power conversion efficiencies for both fullerene materials (i.e., 10.4 and 11.4 % for [70]- and [60]fullerene-based devices, respectively). Importantly, despite the low electron mobility and significant visible-light absorption of [70]fullerene, the presented protocol allows the employment of [70]fullerene as an efficient ESC. The [70]fullerene film thickness and its solubility in the perovskite processing solutions are crucial parameters, which can be controlled by the use of this simple solution processing protocol. The damage to the [70]fullerene film through dissolution during the perovskite deposition is avoided through the saturation of the perovskite processing solution with [70]fullerene. Additionally, this fullerene-saturation strategy improves the performance of the perovskite film significantly and enhances the power conversion efficiency of solar cells based on different ESCs (i.e., [60]fullerene, [70]fullerene, and TiO2 ). Therefore, this universal solution processing protocol widens the opportunities for the further development of PSCs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Status seminar on the application potential of fullerenes. Status seminar and panel discussion; Statusseminar Anwendungspotential der Fullerene. Vortraege und Podiumsdiskussion

    Hoffschulz, H [comp.

    1997-12-31

    The application potential of fullerenes extends to the following areas: Owing to their similarity to active carbon the use of fullerenes as well as of the soot arising during their production in catalytic applications appears an interesting possibility. Structural modifications will permit influencing the catalytic properties of the employed substances. Addition of functional groups has led to a wide range of fullerne variants whose chemical properties and application potentials are still being studied. Polymers can be altered in their structure and properties by the integration of fullerenes. The possibility of increasing the photoconductivity of polymers in this way could be applied to photodetectors and solar cells, for example. Exposure to light causes fullerenes to polymerise and drastically reduces their solubility in commercial solvents. This may render them useful as a masking material in microstructuring. Diamond layers from fullerene vapour are very durable and can be manufactured in large sheets at comparatively low cost. In spite of their low density nanotubes are of incredible stiffness and as such an ideal component for composite materials. In monitors nanotubes can function as electron sources and replace the traditional cathode ray tube. A prerequisite for studying the properties of endohedral fullerenes is their availability in macroscopic amounts. In order to assess their potential it will first be necessary to develop suitable production methods. (orig./SR) [Deutsch] Folgende Anwendungspotentiale fuer Fullorene sind denkbar: - Die Verwandtschaft der Fullerene und des bei ihrer Erzeugung anfallenden Russes zur Aktivkohle sind fuer katalytische Anwendungen interessant, wobei die Katalyseeigenschaften durch Modifizierungen der Struktur veraendert werden koennen. - Mittlerweile stehen eine Vielzahl verschiedener Fulleren-Modifikationen durch Anbringen von funktionellen Gruppen zur Verfuegung, deren chemische Eigenschaften und Anwendungspotentiale

  7. Specific features of fullerene-bearing thin film growth using ion beam vacuum sputtering of fullerene mixtures with B, Fe, Se, Gd and Na

    Semenov, A.P.; Semenova, I.A.; Bulina, N.V.; Lopatin, V.A.; Karmanov, N.S.; Churilov, G.N.

    2005-01-01

    A new approach to the growth of films containing fullerenes and doping elements is described. It is suggested that a cluster mechanism of the target sputtering by accelerated ions makes possible the deposition of fullerenes on a substrate with a certain probability for dopant atoms being introduced into the cavities of fullerene molecules and a higher probability of the doping element introduction between fullerene molecules. The proposed method has been experimentally implemented by using an Ar ion beam to sputter C 60 /C 70 fullerene mixtures, synthesized in a plasmachemical reactor at a pressure of 10 5 Pa and containing a doping element, i.e. Fe, Na, B, Gd or Se. Micron-thick films containing C 60 and C 70 fullerenes and the corresponding dopant element, i.e. Fe, Na, B, Gd or Se, were grown from dopant-containing fullerene mixtures by ion beam sputtering in a vacuum of ∼10 -2 Pa [ru

  8. Packing and Disorder in Substituted Fullerenes

    Tummala, Naga Rajesh

    2016-07-15

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous increase in the variety of derivatives employed in these applications. Here, we use molecular dynamics (MD) simulations to examine the impact of going from mono-adducts to bis- and tris-adducts on the structural, cohesive, and packing characteristics of [6,6]-phenyl-C60-butyric acid methyl ester (PCBM) and indene-C60. The packing configurations obtained at the MD level then serve as input for density functional theory calculations that examine the solid-state energetic disorder (distribution of site energies) as a function of chemical substitution. The variations in structural and site-energy disorders reflect the fundamental materials differences among the derivatives and impact the performance of these materials in thin-film electronic devices.

  9. Towards a fullerene-based quantum computer

    Benjamin, Simon C; Ardavan, Arzhang; Briggs, G Andrew D; Britz, David A; Gunlycke, Daniel; Jefferson, John; Jones, Mark A G; Leigh, David F; Lovett, Brendon W; Khlobystov, Andrei N; Lyon, S A; Morton, John J L; Porfyrakis, Kyriakos; Sambrook, Mark R; Tyryshkin, Alexei M

    2006-01-01

    Molecular structures appear to be natural candidates for a quantum technology: individual atoms can support quantum superpositions for long periods, and such atoms can in principle be embedded in a permanent molecular scaffolding to form an array. This would be true nanotechnology, with dimensions of order of a nanometre. However, the challenges of realizing such a vision are immense. One must identify a suitable elementary unit and demonstrate its merits for qubit storage and manipulation, including input/output. These units must then be formed into large arrays corresponding to an functional quantum architecture, including a mechanism for gate operations. Here we report our efforts, both experimental and theoretical, to create such a technology based on endohedral fullerenes or 'buckyballs'. We describe our successes with respect to these criteria, along with the obstacles we are currently facing and the questions that remain to be addressed

  10. Characterization of the Structural, Mechanical, and Electronic Properties of Fullerene Mixtures: A Molecular Simulations Description

    Tummala, Naga Rajesh; Aziz, Saadullah; Coropceanu, Veaceslav; Bredas, Jean-Luc

    2017-01-01

    We investigate mixtures of fullerenes and fullerene derivatives, the most commonly used electron accepting materials in organic solar cells, by using a combination of molecular dynamics and density functional theory methods. Our goal is to describe

  11. Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platuyrus

    The crustacean Thamnocephalus platyurus was exposed to aqueous suspensions of fullerenes C60 and C70. Aqueous fullerene suspensions were formed by stirring C60 and C70 as received from a commercial vendor in deionized water (term...

  12. Identification method for gas-liquid two-phase flow regime based on singular value decomposition and least square support vector machine

    Sun Bin; Zhou Yunlong; Zhao Peng; Guan Yuebo

    2007-01-01

    Aiming at the non-stationary characteristics of differential pressure fluctuation signals of gas-liquid two-phase flow, and the slow convergence of learning and liability of dropping into local minima for BP neural networks, flow regime identification method based on Singular Value Decomposition (SVD) and Least Square Support Vector Machine (LS-SVM) is presented. First of all, the Empirical Mode Decomposition (EMD) method is used to decompose the differential pressure fluctuation signals of gas-liquid two-phase flow into a number of stationary Intrinsic Mode Functions (IMFs) components from which the initial feature vector matrix is formed. By applying the singular vale decomposition technique to the initial feature vector matrixes, the singular values are obtained. Finally, the singular values serve as the flow regime characteristic vector to be LS-SVM classifier and flow regimes are identified by the output of the classifier. The identification result of four typical flow regimes of air-water two-phase flow in horizontal pipe has shown that this method achieves a higher identification rate. (authors)

  13. Towards a new classification of stable phase schizophrenia into major and simple neuro-cognitive psychosis: Results of unsupervised machine learning analysis.

    Kanchanatawan, Buranee; Sriswasdi, Sira; Thika, Supaksorn; Stoyanov, Drozdstoy; Sirivichayakul, Sunee; Carvalho, André F; Geffard, Michel; Maes, Michael

    2018-05-23

    Deficit schizophrenia, as defined by the Schedule for Deficit Syndrome, may represent a distinct diagnostic class defined by neurocognitive impairments coupled with changes in IgA/IgM responses to tryptophan catabolites (TRYCATs). Adequate classifications should be based on supervised and unsupervised learning rather than on consensus criteria. This study used machine learning as means to provide a more accurate classification of patients with stable phase schizophrenia. We found that using negative symptoms as discriminatory variables, schizophrenia patients may be divided into two distinct classes modelled by (A) impairments in IgA/IgM responses to noxious and generally more protective tryptophan catabolites, (B) impairments in episodic and semantic memory, paired associative learning and false memory creation, and (C) psychotic, excitation, hostility, mannerism, negative, and affective symptoms. The first cluster shows increased negative, psychotic, excitation, hostility, mannerism, depression and anxiety symptoms, and more neuroimmune and cognitive disorders and is therefore called "major neurocognitive psychosis" (MNP). The second cluster, called "simple neurocognitive psychosis" (SNP) is discriminated from normal controls by the same features although the impairments are less well developed than in MNP. The latter is additionally externally validated by lowered quality of life, body mass (reflecting a leptosome body type), and education (reflecting lower cognitive reserve). Previous distinctions including "type 1" (positive)/"type 2" (negative) and DSM-IV-TR (eg, paranoid) schizophrenia could not be validated using machine learning techniques. Previous names of the illness, including schizophrenia, are not very adequate because they do not describe the features of the illness, namely, interrelated neuroimmune, cognitive, and clinical features. Stable-phase schizophrenia consists of 2 relevant qualitatively distinct categories or nosological entities with SNP

  14. Sustainable machining

    2017-01-01

    This book provides an overview on current sustainable machining. Its chapters cover the concept in economic, social and environmental dimensions. It provides the reader with proper ways to handle several pollutants produced during the machining process. The book is useful on both undergraduate and postgraduate levels and it is of interest to all those working with manufacturing and machining technology.

  15. Mathematic model of three-phase induction machine connected to advanced inverter for traction system for electric trolley

    LIVIU S. BOCÎI

    2013-06-01

    Full Text Available This paper establishes a mathematical model of induction machine connected to a frequency inverter necessary to adjust the electric motor drive. The mathematical model based on the Park's theory allows the analysis of the whole spectrum (electric car – frequency inverter to drive the electric trolley bus made on ASTRA Bus Arad (Romania. To remove higher order harmonics, the PWM waveform of supply voltage is used, set in the general case. Operating characteristics of electric motor drive are set to sub-nominal frequency (f Bele 2007.Este documento estabelece um modelo matemático de máquina de indução conectado a um inversor de frequência necessário para ajustar o motor de acionamento elétrico. O modelo matemático baseado na Teoria de Park permite a análise de todo o espectro (carro elétrico com inversor de frequência para dirigir o ônibus elétrico feito em ASTRA Bus Arad (Romênia. Para remover harmônicas de ordem mais alta, a forma de onda da tensão de alimentação PWM é utilizado, definido no caso geral. Características de funcionamento do motor de acionamento elétrico são definidas para frequência sub-nominal (f

  16. Continuous production of fullerenes and other carbon nanomaterials on a semi-industrial scale using plasma technology

    Gruenberger, T.M.; Gonzalez-Aguilar, J.; Fulcheri, L.; Fabry, F.; Grivei, E.; Probst, N.; Flamant, G.; Charlier, J.-C.

    2002-01-01

    A new production method is presented allowing the production of bulk quantities of fullerenes and other carbon nanomaterials using a 3-phase thermal plasma (260 kW). The main characteristics of this method lie in the independent control of the carbon throughput by injection of a solid carbon feedstock, and the immediate extraction of the synthesised product from the reactor, allowing production on a continuous basis. The currently investigated plasma facility is of an intermediate scale between lab-size and an industrial pilot plant, ready for further up scaling to an industrial size. The influence of a large number of different carbon precursors, plasma gases and operating conditions on the fullerene yield has been studied. At this state, quantities of up to 1 kg of carbon can be processed per hour with further scope for increase, leading to production rates for this type of materials not achievable with any other technology at present

  17. The study of dielectric properties of the endohedral fullerenes

    Bhusal, Shusil

    Dielectric response of the metal nitride fullerenes is studied using the density functional theory at the all-electron level using generalized gradient approximation. The dielectric response is studied by computing the static dipole polarizabilities using the finite field method, i.e. by numerically differentiating the dipole moments with respect to electric field. The endohedral fullerenes studied in this work are Sc3N C68(6140), Sc3N C68(6146), Sc3N C70(7854), Sc3N C70(7960), Sc3N C76(17490), Sc3N C78(22010), Sc3N C80(31923), Sc3N C80(31924), Sc3N C82(39663), Sc3N C90(43), Sc3N C90(44), Sc3N C92(85), Sc3N C94(121), Sc3N C96(186), Sc3N C98(166). Using the Voronoi and Hirschfield approaches as implemented in our NRLMOL code, we determine the atomic contributions to the total polarizability. The site-specific contributions to the polarizability of endohedral fullerenes allowed us to determine the polarizability of two subsystems: the fullerene shell and the encapsulated Sc3N unit. Our results showed that the contributions to the total polarizability from the encapsulated Sc3N units are vanishingly small. Thus, the total polarizability of the endohedral fullerene is almost entirely due to the outer fullerene shell. These fullerenes are excellent molecular models of a Faraday cage.

  18. Preparation and characterization of stable aqueous higher-order fullerenes

    Aich, Nirupam; Flora, Joseph R V; Saleh, Navid B

    2012-01-01

    Stable aqueous suspensions of nC 60 and individual higher fullerenes, i.e. C 70 , C 76 and C 84 , are prepared by a calorimetric modification of a commonly used liquid–liquid extraction technique. The energy requirement for synthesis of higher fullerenes has been guided by molecular-scale interaction energy calculations. Solubilized fullerenes show crystalline behavior by exhibiting lattice fringes in high resolution transmission electron microscopy images. The fullerene colloidal suspensions thus prepared are stable with a narrow distribution of cluster radii (42.7 ± 0.8 nm, 46.0 ± 14.0 nm, 60 ± 3.2 nm and 56.3 ± 1.1 nm for nC 60 , nC 70 , nC 76 and nC 84 , respectively) as measured by time-resolved dynamic light scattering. The ζ-potential values for all fullerene samples showed negative surface potentials with similar magnitude ( − 38.6 ± 5.8 mV, − 39.1 ± 4.2 mV, − 38.9 ± 5.8 mV and − 41.7 ± 5.1 mV for nC 60 , nC 70 , nC 76 and nC 84 , respectively), which provide electrostatic stability to the colloidal clusters. This energy-based modified solubilization technique to produce stable aqueous fullerenes will likely aid in future studies focusing on better applicability, determination of colloidal properties, and understanding of environmental fate, transport and toxicity of higher-order fullerenes. (paper)

  19. An analytical method for determination of fullerenes and functionalized fullerenes in soils with high performance liquid chromatography and UV detection

    Carboni, Andrea; Emke, Erik; Parsons, John R.; Kalbitz, Karsten; Voogt, Pim de

    2014-01-01

    Graphical abstract: -- Highlights: •A total of eight fullerenes can be analyzed in a single run with HPLC-UV. •The method allows the analysis of fullerenes in soil at relatively low concentrations. •The method developed is robust, highly reproducible and relatively efficient. •The method can be applied to the study of the environmental fate and toxicology of fullerenes. -- Abstract: Fullerenes are carbon-based nanomaterials expected to play a major role in emerging nanotechnology and produced at an increasing rate for industrial and household applications. In the last decade a number of novel compounds (i.e. fullerene derivatives) is being introduced into the market and specific analytical methods are needed for analytical purposes as well as environmental and safety issues. In the present work eight fullerenes (C60 and C70) and functionalized fullerenes (C60 and C70 exohedral-derivatives) were selected and a novel liquid chromatographic method was developed for their analysis with UV absorption as a method of detection. The resulting HPLC-UV method is the first one suitable for the analysis of all eight compounds. This method was applied for the analysis of fullerenes added to clayish, sandy and loess top-soils at concentrations of 20, 10 and 5 μg kg −1 and extracted with a combination of sonication and shaking extraction. The analytical method limits of detection (LoD) and limits of quantification (LoQ) were in the range of 6–10 μg L −1 and 15–24 μg L −1 respectively for the analytical solutions. The extraction from soil was highly reproducible with recoveries ranging from 47 ± 5 to 71 ± 4% whereas LoD and LoQ for all soils tested were of 3 μg kg −1 and 10 μg kg −1 respectively. No significant difference in the extraction performance was observed depending of the different soil matrices and between the different concentrations. The developed method can be applied for the study of the fate and toxicity of fullerenes in complex matrices

  20. Thermal effect on structure organizations in cobalt-fullerene nanocomposition.

    Lavrentiev, Vasily; Vacik, Jiri; Naramoto, Hiroshi; Sakai, Seiji

    2010-04-01

    Effect of deposition temperature (Ts) on structure of Co-C60 nanocomposite (NC) prepared by simultaneous deposition of cobalt and fullerene on sapphire is presented. The NC structure variations with Ts increasing from room temperature (RT) to 400 degrees C have been analyzed using scanning electron microscopy (SEM), atomic force microscopy (AFM) and Raman spectroscopy. AFM and SEM show granule-like structure of the Co-C60 film. The mixture film deposited at RT includes the hills on the surface suggesting accumulation of internal stress during phase separation. Raman spectra show 25 cm(-1) downshift of Ag(2) C60 peak suggesting -Co-C60- polymerization in C60-based matrix of the NC film. Analysis of Raman spectra has revealed existence of amorphous carbon (a-C) in the NC matrix that argues C60 decomposition. The Ts increase to 200 degrees C causes the surface hills smoothing. In parallel, downshift of the Ag(2) peak decreases to 16 cm(-1) that implies more pronounced phase separation and lower -Co-C60- polymerization efficiency. Also, amount of a-C content slightly increases. Further Ts increasing to 400 degrees C changes the NC structure dramatically. AFM shows evident enlargement of the granules. According to Raman spectra the high Ts deposition yields pronounced C60 decomposition increasing the a-C content. Features of a-C Raman peak imply nucleation of graphitic islands at the NC interfaces. Abundant decomposition of C60 in the mixture film deposited at 400 degrees C is referred to cobalt catalytic effect.

  1. High-throughput, label-free, single-cell, microalgal lipid screening by machine-learning-equipped optofluidic time-stretch quantitative phase microscopy.

    Guo, Baoshan; Lei, Cheng; Kobayashi, Hirofumi; Ito, Takuro; Yalikun, Yaxiaer; Jiang, Yiyue; Tanaka, Yo; Ozeki, Yasuyuki; Goda, Keisuke

    2017-05-01

    The development of reliable, sustainable, and economical sources of alternative fuels to petroleum is required to tackle the global energy crisis. One such alternative is microalgal biofuel, which is expected to play a key role in reducing the detrimental effects of global warming as microalgae absorb atmospheric CO 2 via photosynthesis. Unfortunately, conventional analytical methods only provide population-averaged lipid amounts and fail to characterize a diverse population of microalgal cells with single-cell resolution in a non-invasive and interference-free manner. Here high-throughput label-free single-cell screening of lipid-producing microalgal cells with optofluidic time-stretch quantitative phase microscopy was demonstrated. In particular, Euglena gracilis, an attractive microalgal species that produces wax esters (suitable for biodiesel and aviation fuel after refinement), within lipid droplets was investigated. The optofluidic time-stretch quantitative phase microscope is based on an integration of a hydrodynamic-focusing microfluidic chip, an optical time-stretch quantitative phase microscope, and a digital image processor equipped with machine learning. As a result, it provides both the opacity and phase maps of every single cell at a high throughput of 10,000 cells/s, enabling accurate cell classification without the need for fluorescent staining. Specifically, the dataset was used to characterize heterogeneous populations of E. gracilis cells under two different culture conditions (nitrogen-sufficient and nitrogen-deficient) and achieve the cell classification with an error rate of only 2.15%. The method holds promise as an effective analytical tool for microalgae-based biofuel production. © 2017 International Society for Advancement of Cytometry. © 2017 International Society for Advancement of Cytometry.

  2. Fullerene hydride - A potential hydrogen storage material

    Nai Xing Wang; Jun Ping Zhang; An Guang Yu; Yun Xu Yang; Wu Wei Wang; Rui long Sheng; Jia Zhao

    2005-01-01

    Hydrogen, as a clean, convenient, versatile fuel source, is considered to be an ideal energy carrier in the foreseeable future. Hydrogen storage must be solved in using of hydrogen energy. To date, much effort has been put into storage of hydrogen including physical storage via compression or liquefaction, chemical storage in hydrogen carriers, metal hydrides and gas-on-solid adsorption. But no one satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use. C 60 H 36 , firstly synthesized by the method of the Birch reduction, was loaded with 4.8 wt% hydrogen indicating [60]fullerene might be as a potential hydrogen storage material. If a 100% conversion of C 60 H 36 is achieved, 18 moles of H 2 gas would be liberated from each mole of fullerene hydride. Pure C 60 H 36 is very stable below 500 C under nitrogen atmosphere and it releases hydrogen accompanying by other hydrocarbons under high temperature. But C 60 H 36 can be decomposed to generate H 2 under effective catalyst. We have reported that hydrogen can be produced catalytically from C 60 H 36 by Vasks's compound (IrCl(CO)(PPh 3 ) 2 ) under mild conditions. (RhCl(CO)(PPh 3 ) 2 ) having similar structure to (IrCl(CO)(PPh 3 ) 2 ), was also examined for thermal dehydrogenation of C 60 H 36 ; but it showed low catalytic activity. To search better catalyst, palladium carbon (Pd/C) and platinum carbon (Pt/C) catalysts, which were known for catalytic hydrogenation of aromatic compounds, were tried and good results were obtained. A very big peak of hydrogen appeared at δ=5.2 ppm in 1 H NMR spectrum based on Evans'work (fig 1) at 100 C over a Pd/C catalyst for 16 hours. It is shown that hydrogen can be produced from C 60 H 36 using a catalytic amount of Pd/C. Comparing with Pd/C, Pt/C catalyst showed lower activity. The high cost and limited availability of Vaska's compounds, Pd and Pt make it advantageous to develop less expensive catalysts for our process based on

  3. Table of periodic properties of fullerenes based on structural parameters.

    Torrens, Francisco

    2004-01-01

    The periodic table (PT) of the elements suggests that hydrogen could be the origin of everything else. The construction principle is an evolutionary process that is formally similar to those of Darwin and Oparin. The Kekulé structure count and permanence of the adjacency matrix of fullerenes are related to structural parameters involving the presence of contiguous pentagons p, q and r. Let p be the number of edges common to two pentagons, q the number of vertices common to three pentagons, and r the number of pairs of nonadjacent pentagon edges shared between two other pentagons. Principal component analysis (PCA) of the structural parameters and cluster analysis (CA) of the fullerenes permit classifying them and agree. A PT of the fullerenes is built based on the structural parameters, PCA and CA. The periodic law does not have the rank of the laws of physics. (1) The properties of the fullerenes are not repeated; only, and perhaps, their chemical character. (2) The order relationships are repeated, although with exceptions. The proposed statement is the following: The relationships that any fullerene p has with its neighbor p + 1 are approximately repeated for each period.

  4. Carboxylated Fullerene at the Oil/Water Interface.

    Li, Rongqiang; Chai, Yu; Jiang, Yufeng; Ashby, Paul D; Toor, Anju; Russell, Thomas P

    2017-10-04

    The self-assembly of carboxylated fullerene with poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) with different molecular weights, poly-2-vinylpyridine, and amine-terminated polystyrene, at the interface between toluene and water was investigated. For all values of the pH, the functionalized fullerene interacted with the polymers at the water/toluene interface, forming a nanoparticle network, reducing the interfacial tension. At pH values of 4.84 and 7.8, robust, elastic films were formed at the interface, such that hollow tubules could be formed in situ when an aqueous solution of the functionalized fullerene was jetted into a toluene solution of PS-b-P2VP at a pH of 4.84. With variation of the pH, the mechanical properties of the fullerene/polymer assemblies can be varied by tuning the strength of the interactions between the functionalized fullerenes and the PS-b-P2VP.

  5. Fullerene nanostructures, monolayers and thin films

    Cotier, B.N.

    2000-10-01

    The interaction of submonolayer, monolayer and multilayer coverages of C 60 with the Ag/Si(111)-(√3x√3)R30 deg. (√3Ag/Si) and Si(111)-7x7 surfaces has been investigated using atomic force microscopy (AFM), photoelectron spectroscopy (PES) and ultra high vacuum scanning tunneling microscopy (UHV-STM). It is shown that it is possible to preserve the √3Ag/Si surface, normally corrupted by exposure to air, in ambient conditions when immersed beneath a few layers of C 60 molecules. Upon removal of the fullerene layers in the UHV-STM some corruption is observed which is linked to the morphology of the fullerene film (defined by the nature of the interaction of C 60 with √3Ag/Si). This technique opens up the possibility of performing experiments on the clean √3Ag/Si surface outside of UHV conditions. With the discovery of techniques whereby structures may be formed that are composed of only a few atoms/molecules, there is a need to perform electrical measurements in order to probe the fascinating properties of these 'nano-scale' devices. Using AFM, PES and STM evaporated metals and ion implantation have been investigated as materials for use in forming sub-micron scale contacts to nanostructures. It is found that ion implantation is a more promising approach after studying the response to annealing of treated surfaces. Electrical measurements between open/short circuited contacts and through Ag films clearly demonstrate the validity of the method, further confirmed by a PES study which probes the chemical nature of the near surface region of ion-implanted samples. Attempts have been made to form nanostructure templates between sub-micron scale contacts as a possible precursor to forming nanostructures. The bonding state of C 60 molecules on the Si(111)-7x7 surface has been in dispute for many years. To properly understand the system a comprehensive AFM, PES and STM study has been performed. PES results indicate covalent bond formation, with the number of bonds

  6. Electrical machines with Matlab

    Gonen, Turan

    2011-01-01

    Basic ConceptsDistribution SystemImpact of Dispersed Storage and GenerationBrief Overview of Basic Electrical MachinesReal and Reactive Powers in Single-Phase AC CircuitsThree-Phase CircuitsThree-Phase SystemsUnbalanced Three-Phase LoadsMeasurement of Average Power in Three-Phase CircuitsPower Factor CorrectionMagnetic CircuitsMagnetic Field of Current-Carrying ConductorsAmpère's Magnetic Circuital LawMagnetic CircuitsMagnetic Circuit with Air GapBrief Review of FerromagnetismMagnetic Core LossesHow to Determine Flux for a Given MMFPermanent MagnetsTransformersTransformer ConstructionBrief Rev

  7. Fullerene-rare gas mixed plasmas in an electron cyclotron resonance ion source

    Asaji, T., E-mail: asaji@oshima-k.ac.jp; Ohba, T. [Oshima National College of Maritime Technology, 1091-1 Komatsu, Suo-oshima, Oshima, Yamaguchi 742-2193 (Japan); Uchida, T.; Yoshida, Y. [Bio-Nano Electronics Research Centre, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Minezaki, H.; Ishihara, S. [Graduate School of Engineering, Toyo University, 2100 Kujirai, Kawagoe, Saitama 350-8585 (Japan); Racz, R.; Biri, S. [Institute of Nuclear Research (ATOMKI), H-4026 Debrecen, Bem Tér 18/c (Hungary); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1 Anagawa, Inage-ku, Chiba 263-8555 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita, Osaka 565-0871 (Japan)

    2014-02-15

    A synthesis technology of endohedral fullerenes such as Fe@C{sub 60} has developed with an electron cyclotron resonance (ECR) ion source. The production of N@C{sub 60} was reported. However, the yield was quite low, since most fullerene molecules were broken in the ECR plasma. We have adopted gas-mixing techniques in order to cool the plasma and then reduce fullerene dissociation. Mass spectra of ion beams extracted from fullerene-He, Ar or Xe mixed plasmas were observed with a Faraday cup. From the results, the He gas mixing technique is effective against fullerene destruction.

  8. Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation

    Cates, Nichole C.; Gysel, Roman; Beiley, Zach; Miller, Chad E.; Toney, Michael F.; Heeney, Martin; McCulloch, Iain; McGehee, Michael D.

    2009-01-01

    We demonstrate that intercalation of fullerene derivatives between the side chains of conjugated polymers can be controlled by adjusting the fullerene size and compare the properties of intercalated and nonintercalated poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (pBTTT):fullerene blends. The intercalated blends, which exhibit optimal solar-cell performance at 1:4 polymer:fullerene by weight, have better photoluminescence quenching and lower absorption than the nonintercalated blends, which optimize at 1:1. Understanding how intercalation affects performance will enable more effective design of polymer:fullerene solar cells. © 2009 American Chemical Society.

  9. Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation

    Cates, Nichole C.

    2009-12-09

    We demonstrate that intercalation of fullerene derivatives between the side chains of conjugated polymers can be controlled by adjusting the fullerene size and compare the properties of intercalated and nonintercalated poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene (pBTTT):fullerene blends. The intercalated blends, which exhibit optimal solar-cell performance at 1:4 polymer:fullerene by weight, have better photoluminescence quenching and lower absorption than the nonintercalated blends, which optimize at 1:1. Understanding how intercalation affects performance will enable more effective design of polymer:fullerene solar cells. © 2009 American Chemical Society.

  10. Porphyrin and fullerene-based artificial photosynthetic materials for photovoltaics

    Imahori, Hiroshi; Kashiwagi, Yukiyasu; Hasobe, Taku; Kimura, Makoto; Hanada, Takeshi; Nishimura, Yoshinobu; Yamazaki, Iwao; Araki, Yasuyuki; Ito, Osamu; Fukuzumi, Shunichi

    2004-01-01

    We have developed artificial photosynthetic systems in which porphyrins and fullerenes are self-assembled as building blocks into nanostructured molecular light-harvesting materials and photovoltaic devices. Multistep electron transfer strategy has been combined with our finding that porphyrin and fullerene systems have small reorganization energies, which are suitable for the construction of light energy conversion systems as well as artificial photosynthetic models. Highly efficient photosynthetic electron transfer reactions have been realized at ITO electrodes modified with self-assembled monolayers of porphyrin oligomers as well as porphyrin-fullerene linked systems. Porphyrin-modified gold nanoclusters have been found to have potential as artificial photosynthetic materials. These results provide basic information for the development of nanostructured artificial photosynthetic systems

  11. Polymer solar cells with novel fullerene-based acceptor

    Riedel, I.; Martin, N.; Giacalone, F.; Segura, J.L.; Chirvase, D.; Parisi, J.; Dyakonov, V.

    2004-01-01

    Alternative acceptor materials are possible candidates to improve the optical absorption and/or the open circuit voltage of polymer-fullerene solar cells. We studied a novel fullerene-type acceptor, DPM-12, for application in polymer-fullerene bulk heterojunction photovoltaic devices. Though DPM-12 has the identical redox potentials as methanofullerene PCBM, surprisingly high open circuit voltages in the range V OC =0.95 V were measured for OC 1 C 10 -PPV:DPM-12-based samples. The potential for photovoltaic application was studied by means of photovoltaic characterization of solar cells including current-voltage measurements and external quantum yield spectroscopy. Further studies were carried out by profiling the solar cell parameters vs. temperature and white light intensity

  12. Simulating fullerene ball bearings of ultra-low friction

    Li Xiaoyan; Yang Wei

    2007-01-01

    We report the direct molecular dynamics simulations for molecular ball bearings composed of fullerene molecules (C 60 and C 20 ) and multi-walled carbon nanotubes. The comparison of friction levels indicates that fullerene ball bearings have extremely low friction (with minimal frictional forces of 5.283 x 10 -7 and 6.768 x 10 -7 nN/atom for C 60 and C 20 bearings) and energy dissipation (lowest dissipation per cycle of 0.013 and 0.016 meV/atom for C 60 and C 20 bearings). A single fullerene inside the ball bearings exhibits various motion statuses of mixed translation and rotation. The influences of the shaft's distortion on the long-ranged potential energy and normal force are discussed. The phonic dissipation mechanism leads to a non-monotonic function between the friction and the load rate for the molecular bearings

  13. Preparation of Polyaniline-Doped Fullerene Whiskers

    Bingzhe Wang

    2013-01-01

    Full Text Available Fullerene C60 whiskers (FWs doped with polyaniline emeraldine base (PANI-EB were synthesized by mixing PANI-EB/N-methyl pyrrolidone (NMP colloid and FWs suspension based on the nature of the electron acceptor of C60 and electron donor of PANI-EB. Scanning electron microscopy (SEM, Fourier transform infrared (FT-IR, and ultraviolet-visible (UV-Vis spectra characterized the morphology and molecular structure of the FWs doped with PANI-EB. SEM observation showed that the smooth surface of FWs was changed to worm-like surface morphology after being doped with PANI-EB. The UV-Vis spectra suggested that charge-transfer (CT complex of C60 and PANI-EB was formed as PANI-EBδ+-C60δ-. PANI-EB-doped FWs might be useful as a new type of antibacterial and self-cleaning agent as well as multifunctional material to improve the human health and living environment.

  14. Toxicity of polyhydroxylated fullerene to mitochondria

    Yang, Li-Yun [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Gao, Jia-Ling [Department of Chemistry, College of Chemistry and Environmental Engineering, Yangtze University, Jingzhou 434023 (China); Gao, Tian; Dong, Ping; Ma, Long; Jiang, Feng-Lei [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Liu, Yi, E-mail: yiliuchem@whu.edu.cn [State Key Laboratory of Virology & Key Laboratory of Analytical Chemistry for Biology and Medicine (MOE), College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China)

    2016-01-15

    Highlights: • Fullerenol-induced mitochondrial dysfunction was investigated at mitochondrial level. • Fullerenol disturbed mitochondrial inner membrane in polar protein regions. • Fullerenol affected the inner membrane and respiration chain of mitochondria. - Abstract: Mitochondrial dysfunction is considered as a crucial mechanism of nanomaterial toxicity. Herein, we investigated the effects of polyhydroxylated fullerene (C{sub 60}(OH){sub 44}, fullerenol), a model carbon-based nanomaterial with high water solubility, on isolated mitochondria. Our study demonstrated that fullerenol enhanced the permeabilization of mitochondrial inner membrane to H{sup +} and K{sup +} and induced mitochondrial permeability transition (MPT). The fullerenol-induced swelling was dose-dependent and could be effectively inhibited by MPT inhibitors such as cyclosporin A (CsA), adenosine diphosphate (ADP), ruthenium red (RR) and ethylenediaminetetraacetic acid (EDTA). After treating the mitochondria with fullerenol, the mitochondrial membrane potential (MMP) was found collapsed in a concentration-independent manner. The fluorescence anisotropy of hematoporphyrin (HP) changed significantly with the addition of fullerenol, while that of 1,6-diphenyl-hexatriene (DPH) changed slightly. Moreover, a decrease of respiration state 3 and increase of respiration state 4 were observed when mitochondria were energized with complex II substrate succinate. The results of transmission electron microscopy (TEM) provided direct evidence that fullerenol damaged the mitochondrial ultrastructure. The investigations can provide comprehensive information to elucidate the possible toxic mechanism of fullerenols at subcellular level.

  15. Intratracheal administration of fullerene nanoparticles activates splenic CD11b{sup +} cells

    Ding, Ning [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Kunugita, Naoki [Department of Environmental Health, National Institute of Public Health, 2-3-6, Minami, Wako 351-0197 (Japan); Ichinose, Takamichi [Department of Health Sciences, Oita University of Nursing and Health Sciences, Oita 870-1201 (Japan); Song, Yuan [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Yokoyama, Mitsuru [Bio-information Research Center, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Arashidani, Keiichi [School of Health Sciences, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan); Yoshida, Yasuhiro, E-mail: freude@med.uoeh-u.ac.jp [Department of Immunology and Parasitology, School of Medicine, University of Occupational and Environmental Health, Japan, 1-1 Iseigaoka, Yahata-nishi-ku, Kitakyushu 807-8555 (Japan)

    2011-10-30

    Highlights: {yields} Fullerene administration triggered splenic responses. {yields} Splenic responses occurred at different time-points than in the lung tissue. {yields} CD11b{sup +} cells were demonstrated to function as responder cells to fullerene. - Abstract: Fullerene nanoparticles ('Fullerenes'), which are now widely used materials in daily life, have been demonstrated to induce elevated pulmonary inflammation in several animal models; however, the effects of fullerenes on the immune system are not fully understood. In the present study, mice received fullerenes intratracheally and were sacrificed at days 1, 6 and 42. Mice that received fullerenes exhibited increased proliferation of splenocytes and increased splenic production of IL-2 and TNF-{alpha}. Changes in the spleen in response to fullerene treatment occurred at different time-points than in the lung tissue. Furthermore, fullerenes induced CDK2 expression and activated NF-{kappa}B and NFAT in splenocytes at 6 days post-administration. Finally, CD11b{sup +} cells were demonstrated to function as responder cells to fullerene administration in the splenic inflammatory process. Taken together, in addition to the effects on pulmonary responses, fullerenes also modulate the immune system.

  16. Intratracheal administration of fullerene nanoparticles activates splenic CD11b+ cells

    Ding, Ning; Kunugita, Naoki; Ichinose, Takamichi; Song, Yuan; Yokoyama, Mitsuru; Arashidani, Keiichi; Yoshida, Yasuhiro

    2011-01-01

    Highlights: → Fullerene administration triggered splenic responses. → Splenic responses occurred at different time-points than in the lung tissue. → CD11b + cells were demonstrated to function as responder cells to fullerene. - Abstract: Fullerene nanoparticles ('Fullerenes'), which are now widely used materials in daily life, have been demonstrated to induce elevated pulmonary inflammation in several animal models; however, the effects of fullerenes on the immune system are not fully understood. In the present study, mice received fullerenes intratracheally and were sacrificed at days 1, 6 and 42. Mice that received fullerenes exhibited increased proliferation of splenocytes and increased splenic production of IL-2 and TNF-α. Changes in the spleen in response to fullerene treatment occurred at different time-points than in the lung tissue. Furthermore, fullerenes induced CDK2 expression and activated NF-κB and NFAT in splenocytes at 6 days post-administration. Finally, CD11b + cells were demonstrated to function as responder cells to fullerene administration in the splenic inflammatory process. Taken together, in addition to the effects on pulmonary responses, fullerenes also modulate the immune system.

  17. Simple machines

    Graybill, George

    2007-01-01

    Just how simple are simple machines? With our ready-to-use resource, they are simple to teach and easy to learn! Chocked full of information and activities, we begin with a look at force, motion and work, and examples of simple machines in daily life are given. With this background, we move on to different kinds of simple machines including: Levers, Inclined Planes, Wedges, Screws, Pulleys, and Wheels and Axles. An exploration of some compound machines follows, such as the can opener. Our resource is a real time-saver as all the reading passages, student activities are provided. Presented in s

  18. Affine Fullerene C60 in a GS-Quasigroup

    Vladimir Volenec

    2014-01-01

    Full Text Available It will be shown that the affine fullerene C60, which is defined as an affine image of buckminsterfullerene C60, can be obtained only by means of the golden section. The concept of the affine fullerene C60 will be constructed in a general GS-quasigroup using the statements about the relationships between affine regular pentagons and affine regular hexagons. The geometrical interpretation of all discovered relations in a general GS-quasigroup will be given in the GS-quasigroup C(1/2(1+5.

  19. Exciton and Hole-Transfer Dynamics in Polymer: Fullerene Blends

    van Loosdrecht P. H. M.

    2013-03-01

    Full Text Available Ultrafast hole transfer dynamics from fullerene derivative to polymer in bulk heterojunction blends are studied with visible-pump - IR-probe spectroscopy. The hole transfer process is found to occur in 50/300 fs next to the interface, while a longer 15-ps time is attributed to exciton diffusion towards interface in PC71BM domains. High polaron generation efficiency in P3HT blends indicates excellent intercalation between the polymer and the fullerene even at highest PC71BM concentration thereby yielding a valuable information on the blend morphology.

  20. Stereodivergent-at-metal synthesis of [60]fullerene hybrids

    Marco-Martinez, Juan; Vidal, Sara; Fernandez, Israel; Filippone, Salvatore [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); Martin, Nazario [Departamento de Quimica Organica I, Facultad de Ciencias Quimicas, Universidad Complutense de Madrid (Spain); IMDEA-Nanociencia, C/Faraday, Universidad Autonoma de Madrid (Spain)

    2017-02-13

    Chiral fullerene-metal hybrids with complete control over the four stereogenic centers, including the absolute configuration of the metal atom, have been synthesized for the first time. The stereochemistry of the four chiral centers formed during [60]fullerene functionalization is the result of both the chiral catalysts employed and the diastereoselective addition of the metal complexes used (iridium, rhodium, or ruthenium). DFT calculations underpin the observed configurational stability at the metal center, which does not undergo an epimerization process. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  1. Properties of Natural Rubber-Based Composites Containing Fullerene

    Omar A. Al-Hartomy

    2012-01-01

    Full Text Available In this study the influence of fullerenes in concentrations from 0.5 to 1.5 phr on both the vulcanization characteristics of the compounds and physicomechanical, dynamic, and dielectric properties and thermal aging resistance of nanocomposites on the basis of natural rubber has been investigated. The effect of the filler dispersion in the elastomeric matrix has been also investigated. Neat fullerene and the composites comprising it have been studied and characterized by scanning electron microscopy (SEM and transmission electron microscopy (TEM.

  2. Multiscale simulation of water flow past a C540 fullerene

    Walther, Jens Honore; Praprotnik, Matej; Kotsalis, Evangelos M.

    2012-01-01

    We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description for the Nav......We present a novel, three-dimensional, multiscale algorithm for simulations of water flow past a fullerene. We employ the Schwarz alternating overlapping domain method to couple molecular dynamics (MD) of liquid water around the C540 buckyball with a Lattice–Boltzmann (LB) description...

  3. Carboxylated fullerene at the oil/water interface

    Li, R; Chai, Y; Jiang, Y; Ashby, PD; Toor, A; Russell, TP

    2017-01-01

    © 2017 American Chemical Society. The self-assembly of carboxylated fullerene with poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) with different molecular weights, poly-2-vinylpyridine, and amine-terminated polystyrene, at the interface between toluene and water was investigated. For all values of the pH, the functionalized fullerene interacted with the polymers at the water/toluene interface, forming a nanoparticle network, reducing the interfacial tension. At pH values of 4.84 and 7.8, robust,...

  4. Autocoding State Machine in Erlang

    Guo, Yu; Hoffman, Torben; Gunder, Nicholas

    2008-01-01

    This paper presents an autocoding tool suit, which supports development of state machine in a model-driven fashion, where models are central to all phases of the development process. The tool suit, which is built on the Eclipse platform, provides facilities for the graphical specification...... of a state machine model. Once the state machine is specified, it is used as input to a code generation engine that generates source code in Erlang....

  5. Anisometric C60 Fullerene Colloids Assisted by Structure-Directing Agent

    Penterman, S. [Cornell Univ., Ithaca, NY (United States); Liddell Watson, Chekesha M. [Cornell Univ., Ithaca, NY (United States); Escobedo, Fernando A. [Cornell Univ., Ithaca, NY (United States); Cohen, Itai [Cornell Univ., Ithaca, NY (United States)

    2016-08-05

    Colloidal synthesis and assembly provide low cost, large area routes to mesoscale structures. In particular, shape-anisotropic particles may form crystalline, plastic crystalline, complex liquid crystalline and glassy phases. Arrangements in each order class have been used to generate photonic materials. For example, large photonic band gaps have been found for photonic crystals, hyperuniform photonic glasses, and also for plastic crystals at sufficient refractive index contrast. The latter structures support highly isotropic bandgaps that are desirable for free-form waveguides and LED out-coupling. Photonic glasses with optical gain lead to self-tuned lasing by the superposition of multiply scattered light. Typically, extrinsic media such as organic dyes, rare earths, lanthanides and quantum dots are used to impart optical gain in photonic solids. The present work advances fullerene microcrystals as a new materials platform for ‘active’ light emitting in colloid-based photonic crystals. Fullerenes support singlet excited states that recombine to produce a characteristic red photoluminescence. C60 also has a high refractive index (n ~ 2.2) and transparency (> 560 nm)9 so that inverse structures are not required.

  6. Synthesis and characterization of M-fullerene/TiO2 photocatalysts designed for degradation azo dye

    Meng, Ze-Da; Zhang, Feng-Jun; Zhu, Lei; Park, Chong-Yeon; Ghosh, Trishs; Choi, Jong-Geun; Oh, Won-Chun

    2012-01-01

    Metal-fullerene/TiO 2 composites were prepared using a sol–gel method, and their photocatalytic activity was evaluated by degradation of methylene blue (MB) solutions under UV light. The surface area, surface structure, crystal phase and elemental identification of these composites were characterized by Brunauer–Emmett–Teller analysis, scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction and transmission electron microscopy, respectively. The degradation effect of MB was determined using UV/Vis spectrophotometry. Photocatalytic activity was increased because of the increase in photo-absorption effect by fullerene, and the cooperative effect of the metal introduced as a dopant. - Highlights: ► C 60 has good effect in photo-degradation process, added metal can improve this effect. ► C 60 have good effect in photo-degradation process. ► C 60 has larger pore sizes, volumes, conjugated structures, electron-accepting ability. ► Increase the photo-absorption effect by C 60 and cooperative effect of metal.

  7. Face machines

    Hindle, D.

    1999-06-01

    The article surveys latest equipment available from the world`s manufacturers of a range of machines for tunnelling. These are grouped under headings: excavators; impact hammers; road headers; and shields and tunnel boring machines. Products of thirty manufacturers are referred to. Addresses and fax numbers of companies are supplied. 5 tabs., 13 photos.

  8. Electric machine

    El-Refaie, Ayman Mohamed Fawzi [Niskayuna, NY; Reddy, Patel Bhageerath [Madison, WI

    2012-07-17

    An interior permanent magnet electric machine is disclosed. The interior permanent magnet electric machine comprises a rotor comprising a plurality of radially placed magnets each having a proximal end and a distal end, wherein each magnet comprises a plurality of magnetic segments and at least one magnetic segment towards the distal end comprises a high resistivity magnetic material.

  9. Machine Learning.

    Kirrane, Diane E.

    1990-01-01

    As scientists seek to develop machines that can "learn," that is, solve problems by imitating the human brain, a gold mine of information on the processes of human learning is being discovered, expert systems are being improved, and human-machine interactions are being enhanced. (SK)

  10. Nonplanar machines

    Ritson, D.

    1989-05-01

    This talk examines methods available to minimize, but never entirely eliminate, degradation of machine performance caused by terrain following. Breaking of planar machine symmetry for engineering convenience and/or monetary savings must be balanced against small performance degradation, and can only be decided on a case-by-case basis. 5 refs

  11. Phase 3 of a Brushless Doubly-Fed Machine System Development Program : Final Technical Report for Period January 1, 1992-June 30, 1993.

    Alexander, Gerald C.; Spee, Rene; Wallace, Alan K.

    1993-12-31

    Since the inception of the BDFM development program in 1989, the value of BDFM technology has become apparent. The BDFM provides for adjustable speed, synchronous operation while keeping costs associated with the required power conversion equipment lower than in competing technologies. This provides for an advantage in initial as well as maintenance expenses over conventional drive system. Thus, the BDFM enables energy efficient, adjustable speed process control for applications where established drive technology has not been able to deliver satisfactory returns on investment. At the same time, the BDFM challenges conventional drive technologies in established markets by providing for improved performance at lower cost. BDFM converter rating is kept at a minimum, which significantly improves power quality at the utility interface over competing power conversion equipment. In summary, BDFM technology can be expected to provide significant benefits to utilities as well as their customers. This report discusses technical research and development activities related to Phase 3 of the Brushless Doubly-Fed Machine System Development Program, including work made possible by supplemental funds for laboratory improvement and prototype construction. Market research for the BDFM was provided by the College of Business at Oregon State University; market study results will be discussed in a separate report.

  12. Quantification of flexoelectricity in PbTiO3/SrTiO3 superlattice polar vortices using machine learning and phase-field modeling.

    Li, Q; Nelson, C T; Hsu, S-L; Damodaran, A R; Li, L-L; Yadav, A K; McCarter, M; Martin, L W; Ramesh, R; Kalinin, S V

    2017-11-13

    Flexoelectricity refers to electric polarization generated by heterogeneous mechanical strains, namely strain gradients, in materials of arbitrary crystal symmetries. Despite more than 50 years of work on this effect, an accurate identification of its coupling strength remains an experimental challenge for most materials, which impedes its wide recognition. Here, we show the presence of flexoelectricity in the recently discovered polar vortices in PbTiO 3 /SrTiO 3 superlattices based on a combination of machine-learning analysis of the atomic-scale electron microscopy imaging data and phenomenological phase-field modeling. By scrutinizing the influence of flexocoupling on the global vortex structure, we match theory and experiment using computer vision methodologies to determine the flexoelectric coefficients for PbTiO 3 and SrTiO 3 . Our findings highlight the inherent, nontrivial role of flexoelectricity in the generation of emergent complex polarization morphologies and demonstrate a viable approach to delineating this effect, conducive to the deeper exploration of both topics.

  13. Fullerene-Based Symmetry in Hibiscus rosa-sinensis Pollen

    Andrade, Kleber; Guerra, Sara; Debut, Alexis

    2014-01-01

    The fullerene molecule belongs to the so-called super materials. The compound is interesting due to its spherical configuration where atoms occupy positions forming a mechanically stable structure. We first demonstrate that pollen of Hibiscus rosa-sinensis has a strong symmetry regarding the distribution of its spines over the spherical grain. These spines form spherical hexagons and pentagons. The distance between atoms in fullerene is explained applying principles of flat, spherical, and spatial geometry, based on Euclid’s “Elements” book, as well as logic algorithms. Measurements of the pollen grain take into account that the true spine lengths, and consequently the real distances between them, are measured to the periphery of each grain. Algorithms are developed to recover the spatial effects lost in 2D photos. There is a clear correspondence between the position of atoms in the fullerene molecule and the position of spines in the pollen grain. In the fullerene the separation gives the idea of equal length bonds which implies perfectly distributed electron clouds while in the pollen grain we suggest that the spines being equally spaced carry an electrical charge originating in forces involved in the pollination process. PMID:25003375

  14. Ultimate performance of polymer: Fullerene bulk heterojunction tandem solar cells

    Kotlarski, J.D.; Blom, P.W.M.

    2011-01-01

    We present the model calculations to explore the potential of polymer:fullerene tandem solar cells. As an approach we use a combined optical and electrical device model, where the absorption profiles are used as starting point for the numerical current-voltage calculations. With this model a maximum

  15. Fullerene derivatives as components for 'plastic' photovoltaic cells

    Hummelen, J.C.; Knol, J.; Kadish, KM; Ruoff, RS

    1998-01-01

    Derivatives of [60]fullerene, mixed with conducting polymers to yield donor-acceptor bulk-heterojunction (beta-junction) materials, are useful in 'plastic' photovoltaic devices. In order to enhance the charge carrier mobilities in the two individual interpenetrating networks, one important goal of

  16. Fullerene Derivatives as Components for ‘Plastic’ Photovoltaic Cells

    Knol, Joop; Hummelen, Jan C.

    1998-01-01

    Derivatives of [60]fullerene, mixed with conducting polymers to yield donor-acceptor bulk-heterojunction (β-junction) materials, are useful in ‘plastic’ photovoltaic devices. In order to enhance the charge carrier mobilities in the two individual interpenetrating networks, one important goal of our

  17. Bipolar polaron pair recombination in polymer/fullerene solar cells

    Kupijai, Alexander J.; Behringer, Konstantin M.; Schaeble, Florian G.

    2015-01-01

    We present a study of the rate-limiting spin-dependent charge-transfer processes in different polymer/fullerene bulk-heterojunction solar cells at 10 K. Observing central spin-locking signals in pulsed electrically detected magnetic resonance and an inversion of Rabi oscillations in multifrequency...

  18. Fullerene-based Anchoring Groups for Molecular Electronics

    Martin, Christian A.; Ding, Dapeng; Sørensen, Jakob Kryger

    2008-01-01

    We present results on a new fullerene-based anchoring group for molecular electronics. Using lithographic mechanically controllable break junctions in vacuum we have determined the conductance and stability of single-molecule junctions of 1,4-bis(fullero[c]pyrrolidin-1-yl)benzene. The compound can...

  19. Local magnetism in rare-earth metals encapsulated in fullerenes

    De Nadai, C; Mirone, A; Dhesi, SS; Bencok, P; Brookes, NB; Marenne, [No Value; Rudolf, P; Tagmatarchis, N; Shinohara, H; Dennis, TJS; Marenne, I.; Nadaï, C. De

    Local magnetic properties of rare-earth (RE) atoms encapsulated in fullerenes have been characterized using x-ray magnetic circular dichroism and x-ray absorption spectroscopy (XAS). The orbital and spin contributions of the magnetic moment have been determined through sum rules and theoretical

  20. APPLICATION FULLERENE FOR IDENTIFICATION OF MEAT PRODUCTS CONTAINING KLENBUTEROL

    G. V. Popov

    2014-01-01

    Full Text Available Summary. In modern conditions the majority of developing livestock complexes, various chemical additives, apply to cattle feeding. One of such preparations is clenbuterol. Clenbuterol is β-2-adrenostimulyator belonging to group β-agonist who stimulate growth of muscular weight and regulate a ratio of fatty and muscular tissue at cultivation of agricultural animals and birds. In Russia results of researches in which it is recommended to apply clenbuterol as a growth factor at cattle cultivation are published. Thus the risk of influences of the residual maintenance of a preparation in animal husbandry production on health of consumers wasn't estimated. We conducted researches in the field of studying of properties fullerene and clenbuterol and their opportunities interaction among themselves. For identification clenbuterol in meat raw materials the synthesis of Prato based on a functionalization fullerene by C60 and C70 consisting in its transformation in fullerene on reactions of a 1,3-dipolar cycloaddition of azomethine ylide on multiple communications of C=C of a fulleren kernel was moved. Reaction took place with allocation of a deposit of the dark color which analysis proved that is a product of interaction of substances investigated by us. This experiment gives the chance to identify clenbuterolfullerene.

  1. Fullerene nanoparticles in soil: Analysis, occurrence and fate

    Carboni, A.

    2016-01-01

    Fullerenes are carbon-based nanomaterials that can occur in the environment due to both natural events and human production. Recently, the increasing use in novel nanotechnologies raised concern for the possible adverse effects on humans and the environment. However, the assessment is complicated by

  2. Raman spectroelectrochemistry of ordered C-60 fullerene layers

    Krause, M.; Deutsch, D.; Dunsch, L.; Janda, Pavel; Kavan, Ladislav

    2005-01-01

    Roč. 13, - (2005), s. 159-166 ISSN 1536-383X R&D Projects: GA AV ČR IAA4040306 Institutional research plan: CEZ:AV0Z40400503 Keywords : fullerenes * thin films * nanostructuring * Raman spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 0.776, year: 2005

  3. Thermodynamics of association of water soluble fullerene derivatives

    SONANKI KESHRI

    2017-08-31

    Aug 31, 2017 ... Entropic and enthalpic contributions to the association of solute molecules are calculated ... authors.7,46–70 The association of fullerene in aque- ous media is ..... The main mechanism accounting for the stabiliza- tion of the ...

  4. Photoconducting properties of fullerene derivatized with a biphenil moiety

    Corvis, Y.; Trzcinska, K.; Rink, R.; Bílková, Petra; Gorecka, E.; Bilewicz, R.; Rogalska, E.

    2006-01-01

    Roč. 80, č. 3 (2006), s. 1899-1907 ISSN 0137- 5083 Grant - others:Research Training Network(XE) HPRN-CT-2002-00171 Institutional research plan: CEZ:AV0Z10100520 Keywords : fullerene * photoconductivity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.491, year: 2006

  5. In-Silico Study Of Water Soluble C60-Fullerene Derivatives And Different Drug Targets

    Mohammad Teimouri

    2015-08-01

    Full Text Available Fullerene C60 is a unique carbon molecule that adopts a sphere shape. It has been proved that fullerene and some of its derivatives several disease targets. Fullerene itself is insoluble in water. So fullerene application is hindered in medical field. In this study a literature search was performed and all derivatives were collected. The fullerene binding protein previously reported in literature were also retrieved from protein databank. The docking study were performed with fullerene derivatives and its binding proteins. The selected proteins include Voltage-Gated Potassium Channel estrogenic 17beta-hydroxysteroid dehydrogenase and monoclonal anti-progesterone antibody. The binding affinity and binding free energy were computed for these proteins and fullerene derivatives complexes. The binding affinity and binding free energy calculation of the co-crystal ligands were also carried out. The results show the good fitting of fullerene derivatives in the active site of different proteins. The binding affinities and binding free energies of fullerene derivatives are better. The present study gives a detail information about the binding mode of C60 derivatives. The finding will be helpful in fullerene-based drug discovery and facilitate the efforts of fighting many diseases.

  6. The Machine within the Machine

    Katarina Anthony

    2014-01-01

    Although Virtual Machines are widespread across CERN, you probably won't have heard of them unless you work for an experiment. Virtual machines - known as VMs - allow you to create a separate machine within your own, allowing you to run Linux on your Mac, or Windows on your Linux - whatever combination you need.   Using a CERN Virtual Machine, a Linux analysis software runs on a Macbook. When it comes to LHC data, one of the primary issues collaborations face is the diversity of computing environments among collaborators spread across the world. What if an institute cannot run the analysis software because they use different operating systems? "That's where the CernVM project comes in," says Gerardo Ganis, PH-SFT staff member and leader of the CernVM project. "We were able to respond to experimentalists' concerns by providing a virtual machine package that could be used to run experiment software. This way, no matter what hardware they have ...

  7. Machine translation

    Nagao, M

    1982-04-01

    Each language has its own structure. In translating one language into another one, language attributes and grammatical interpretation must be defined in an unambiguous form. In order to parse a sentence, it is necessary to recognize its structure. A so-called context-free grammar can help in this respect for machine translation and machine-aided translation. Problems to be solved in studying machine translation are taken up in the paper, which discusses subjects for semantics and for syntactic analysis and translation software. 14 references.

  8. [60]Fullerene Displacement from (Dihapto-Buckminster-Fullerene) Pentacarbonyl Tungsten(0): An Experiment for the Inorganic Chemistry Laboratory, Part II

    Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.

    2006-01-01

    The kinetics experiments on the ligand-C[subscript 60] exchange reactions on (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], form an educational activity for the inorganic chemistry laboratory that promotes graphical thinking as well as the understanding of kinetics, mechanisms, and the…

  9. Machine Learning

    CERN. Geneva

    2017-01-01

    Machine learning, which builds on ideas in computer science, statistics, and optimization, focuses on developing algorithms to identify patterns and regularities in data, and using these learned patterns to make predictions on new observations. Boosted by its industrial and commercial applications, the field of machine learning is quickly evolving and expanding. Recent advances have seen great success in the realms of computer vision, natural language processing, and broadly in data science. Many of these techniques have already been applied in particle physics, for instance for particle identification, detector monitoring, and the optimization of computer resources. Modern machine learning approaches, such as deep learning, are only just beginning to be applied to the analysis of High Energy Physics data to approach more and more complex problems. These classes will review the framework behind machine learning and discuss recent developments in the field.

  10. Machine Translation

    Research Mt System Example: The 'Janus' Translating Phone Project. The Janus ... based on laptops, and simultaneous translation of two speakers in a dialogue. For more ..... The current focus in MT research is on using machine learning.

  11. Conjugation-promoted reaction of open-cage fullerene: a density functional theory study.

    Guo, Yong; Yan, Jingjing; Khashab, Niveen M

    2012-02-01

    Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated. The obtained results show that the reaction of a carbonyl group on a fullerene orifice with triethyl phosphite most likely proceeds along the classical Abramov reaction; however, the classical product is not stable and is converted into the experimental product. An attack on a fullerene carbonyl carbon will trigger a rearrangement of the phosphate group to the carbonyl oxygen as the conversion transition state is stabilized by fullerene conjugation. This work provides a new insight on the reactivity of open-cage fullerenes, which may prove helpful in designing new switchable fullerene systems. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Elemental and Microscopic Analysis of Naturally Occurring C-O-Si Hetero-Fullerene-Like Structures.

    Hullavarad, Nilima V; Hullavarad, Shiva S; Fochesatto, Javier

    2015-03-01

    Carbon exhibits an ability to form a wide range of structures in nature. Under favorable conditions, carbon condenses to form hollow, spheroid fullerenes in an inert atmosphere. Using high resolution FESEM, we have concealed the existence of giant hetero-fullerene like structures in the natural form. Clear, distinct features of connected hexagons and pentagons were observed. Energy dispersive X-ray analysis depth-profile of natural fullerene structures indicates that Russian-doll-like configurations composed of C, 0, and Si rings exist in nature. The analysis is based on an outstanding molecular feature found in the size fraction of aerosols having diameters 150 nm to 1.0 µm. The fullerene like structures, which are ~ 150 nm in diameter, are observed in large numbers. To the best of our knowledge, this is the first direct detailed observation of natural fullerene-like structures. This article reports inadvertent observation of naturally occurring hetero-fullerene-like structures in the Arctic.

  13. Plasmon-plasmon coupling in nested fullerenes: photoexcitation of interlayer plasmonic cross modes

    McCune, Mathew A; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E; Manson, Steven T

    2011-01-01

    Considering the photoionization of a two-layer fullerene-onion system, C 60 -C 240 , strong plasmonic couplings between the nested fullerenes are demonstrated. The resulting hybridization produces four cross-over plasmons generated from the bonding and antibonding mixing of excited charge clouds of individual fullerenes. This suggests the possibility of designing buckyonions exhibiting plasmon resonances with specified properties and may motivate future research to modify the resonances with encaged atoms, molecules or clusters. (fast track communication)

  14. Organic–Inorganic Nanostructure Architecture via Directly Capping Fullerenes onto Quantum Dots

    Kim Jonggi

    2011-01-01

    Full Text Available Abstract A new form of fullerene-capped CdSe nanoparticles (PCBA-capped CdSe NPs, using carboxylate ligands with [60]fullerene capping groups that provides an effective synthetic methodology to attach fullerenes noncovalently to CdSe, is presented for usage in nanotechnology and photoelectric fields. Interestingly, either the internal charge transfer or the energy transfer in the hybrid material contributes to photoluminescence (PL quenching of the CdSe moieties.

  15. On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

    Amer, Maher S.; Wang, Wenhu; Kollins, Kaitlin N; Altalebi, Hasanain; Schwingenschlö gl, Udo

    2018-01-01

    We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

  16. Centrosymmetric Graphs And A Lower Bound For Graph Energy Of Fullerenes

    Katona Gyula Y.

    2014-11-01

    Full Text Available The energy of a molecular graph G is defined as the summation of the absolute values of the eigenvalues of adjacency matrix of a graph G. In this paper, an infinite class of fullerene graphs with 10n vertices, n ≥ 2, is considered. By proving centrosymmetricity of the adjacency matrix of these fullerene graphs, a lower bound for its energy is given. Our method is general and can be extended to other class of fullerene graphs.

  17. Organic-Inorganic Nanostructure Architecture via Directly Capping Fullerenes onto Quantum Dots.

    Lee, Jae Kwan; Kim, Jonggi; Yang, Changduk

    2011-12-01

    A new form of fullerene-capped CdSe nanoparticles (PCBA-capped CdSe NPs), using carboxylate ligands with [60]fullerene capping groups that provides an effective synthetic methodology to attach fullerenes noncovalently to CdSe, is presented for usage in nanotechnology and photoelectric fields. Interestingly, either the internal charge transfer or the energy transfer in the hybrid material contributes to photoluminescence (PL) quenching of the CdSe moieties.

  18. On the Evaporation Kinetics of [60] Fullerene in Aromatic Organic Solvents

    Amer, Maher S.

    2018-04-03

    We investigate the effect of C60 fullerene nanospheres on the evaporation kinetics of a number of aromatic solvents with different levels of molecular association, namely, benzene, toluene, and chlorobenzene. The dependence of the evaporation rate on the fullerene concentration is not monotonic but rather exhibits maxima and minima. The results strongly support the notion of molecular structuring within the liquid solvent controlled by the nature of fullerene/solvent interaction and the level of molecular association within the solvent itself.

  19. Spontaneous growth of the polyhedral fullerene crystals in the supersaturated Ni-C(60) composite

    Vacík, Jiří; Lavrentiev, Vasyl; Michalcová, A.; Abe, H.; Horák, Pavel

    2011-01-01

    Roč. 509, č. 1 (2011), S380-S383 ISSN 0925-8388. [17th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM 2010). Zurich, 04.09.2010-09.06.2010] R&D Projects: GA ČR GAP107/11/1856; GA AV ČR(CZ) KAN400480701; GA AV ČR(CZ) IAA400320901; GA AV ČR IAA200480702; GA ČR GA106/09/1264; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505; CEZ:AV0Z40320502 Keywords : Nickel * Fullerene s * Phase separation * Polyhedral particles Subject RIV: JJ - Other Materials Impact factor: 2.289, year: 2011

  20. Cyclic water-trimer encapsulation into D2 (22)-C84 fullerene

    Slanina, Zdeněk; Uhlík, Filip; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing; Adamowicz, Ludwik

    2018-03-01

    The cyclic water-trimer encapsulations into D2 (22)-C84 fullerene are evaluated. The encapsulation energy is computed at the M06-2X/6-31++G∗∗ level and it is found that the trimer storage in C84 yields the potential-energy gain of 10.4 kcal/mol. The encapsulated trimer can have two different forms, either the conformation known with the free gas-phase water trimer or the arrangement with the three non-hydrogen bonded H atoms on the same side of the O-O-O plane. The latter endohedral isomer is lower in the potential energy by 0.071 kcal/mol and forms about 57% of their equilibrium mixture at room temperature.

  1. Integrated Inverter For Driving Multiple Electric Machines

    Su, Gui-Jia [Knoxville, TN; Hsu, John S [Oak Ridge, TN

    2006-04-04

    An electric machine drive (50) has a plurality of inverters (50a, 50b) for controlling respective electric machines (57, 62), which may include a three-phase main traction machine (57) and two-phase accessory machines (62) in a hybrid or electric vehicle. The drive (50) has a common control section (53, 54) for controlling the plurality of inverters (50a, 50b) with only one microelectronic processor (54) for controlling the plurality of inverters (50a, 50b), only one gate driver circuit (53) for controlling conduction of semiconductor switches (S1-S10) in the plurality of inverters (50a, 50b), and also includes a common dc bus (70), a common dc bus filtering capacitor (C1) and a common dc bus voltage sensor (67). The electric machines (57, 62) may be synchronous machines, induction machines, or PM machines and may be operated in a motoring mode or a generating mode.

  2. Adverse effects of fullerenes (nC{sub 60}) spiked to sediments on Lumbriculus variegatus (Oligochaeta)

    Pakarinen, K., E-mail: kukka.tervonen@uef.fi [Department of Biology, University of Eastern Finland, 80101 Joensuu (Finland); Petersen, E.J. [Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD (United States); Leppaenen, M.T.; Akkanen, J.; Kukkonen, J.V.K. [Department of Biology, University of Eastern Finland, 80101 Joensuu (Finland)

    2011-12-15

    Effects of fullerene-spiked sediment on a benthic organism, Lumbriculus variegatus (Oligochaeta), were investigated. Survival, growth, reproduction, and feeding rates were measured to assess possible adverse effects of fullerene agglomerates produced by water stirring and then spiked to a natural sediment. L. variegatus were exposed to 10 and 50 mg fullerenes/kg sediment dry mass for 28 d. These concentrations did not impact worm survival or reproduction compared to the control. Feeding activities were slightly decreased for both concentrations indicating fullerenes' disruptive effect on feeding. Depuration efficiency decreased in the high concentration only. Electron and light microscopy and extraction of the worm fecal pellets revealed fullerene agglomerates in the gut tract but not absorption into gut epithelial cells. Micrographs also indicated that 16% of the epidermal cuticle fibers of the worms were not present in the 50 mg/kg exposures, which may make worms susceptible to other contaminants. - Highlights: > Effects of fullerene-spiked sediment on black worms were investigated. > Survival, growth, reproduction, and feeding rates were measured. > Exposure did not impact worm survival or reproduction. > Feeding rates and depuration efficiency were decreased. > Worms transferred fullerenes from the sediment to the sediment surface. - Exposure to fullerene-spiked sediment decreased black worms' feeding and depuration efficiency, but fullerenes did not appear to be absorbed into the microvilli.

  3. Polythiophenes and fullerene derivatives based donor-acceptor system: topography by atomic force microscopy

    Marcakova, M. L.; Repovsky, D.; Cik, G.; Velic, D.

    2017-01-01

    The goal of this work is to examine the surface of a polythiophene/fullerene film in order to understand the structure. In this work polythiophene is used as electron donor and fullerene-derivative is used as electron acceptor. Atomic force microscopy (AFM), is an ideal method to study surfaces and nanostructures. Surfaces of fullerene C60 , fullerene-derivates PCBM, polythiophene P12 and a mixture of P12 and PCBM are characterized. In all samples, the average roughness, the arithmetical value of divergence from the high of the surface, is determined concluding that P12 and PCBM mix together well and form a film with specific topography. (authors)

  4. Electronic transport properties aspects and structure of polymer-fullerene based organic semiconductors for photovoltaic devices

    Adamopoulos, G.; Heiser, T.; Giovanella, U.; Ould-Saad, S.; Wetering, K.I. van de; Brochon, C.; Zorba, T.; Paraskevopoulos, K.M.; Hadziioannou, G.

    2006-01-01

    A series of polystyrene (PS) and fullerene (C 60 ) based thin films containing from 23 to 60 wt.% in fullerene were investigated. Initially, the films were characterised by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy where the characteristic absorption bands of both the fullerene and the polystyrene were revealed. The additional characteristic absorption bands due the grafted fullerene to polystyrene were revealed as well. The relative peak intensities provided with qualitative information of the films stoichiometry in terms of the fullerene's amount that was grafted to polystyrene. The optical properties of the films were investigated by spectroscopic ellipsometry (SE). It was found that the increase of the fullerene's amount that was grafted to polystyrene results in an increase of the absorption coefficient α, refractive index n, extinction coefficient k as well as in the dielectric constant ε ∝ within the range between 2.4 and 2.8 for the lower and higher fullerene content, respectively. The films' J-V characteristics, of the space charge limited current (SCLC) behaviour, showed increased currents with increasing the fullerene's content. The electron mobility was extracted and found to increase with increasing the fullerene amount, from 4 x 10 -9 cm 2 /V s to 2 x 10 -7 cm 2 /V s

  5. Electronic transport properties aspects and structure of polymer-fullerene based organic semiconductors for photovoltaic devices

    Adamopoulos, G. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France)]. E-mail: geo_adamo@yahoo.fr; Heiser, T. [Institut d' Electronique du Solide et des Systemes (IN.E.S.S.), CNRS/ULP, 23 Rue du Loess, BP 20, 67037 Strasbourg Cedex 02 (France); Giovanella, U. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Ould-Saad, S. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Wetering, K.I. van de [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Brochon, C. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France); Zorba, T. [Physics Department, Solid State Physics Section, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Paraskevopoulos, K.M. [Physics Department, Solid State Physics Section, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Hadziioannou, G. [Laboratoire d' Ingenierie des Polymeres pour les Hautes Technologies (L.I.P.H.T.), Ecole Europeenne Chimie Polymeres Materiaux (E.C.P.M.), 25 Rue Becquerel, 67087 Strasbourg Cedex 02 (France)

    2006-07-26

    A series of polystyrene (PS) and fullerene (C{sub 60}) based thin films containing from 23 to 60 wt.% in fullerene were investigated. Initially, the films were characterised by Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy where the characteristic absorption bands of both the fullerene and the polystyrene were revealed. The additional characteristic absorption bands due the grafted fullerene to polystyrene were revealed as well. The relative peak intensities provided with qualitative information of the films stoichiometry in terms of the fullerene's amount that was grafted to polystyrene. The optical properties of the films were investigated by spectroscopic ellipsometry (SE). It was found that the increase of the fullerene's amount that was grafted to polystyrene results in an increase of the absorption coefficient {alpha}, refractive index n, extinction coefficient k as well as in the dielectric constant {epsilon} {sub {proportional_to}} within the range between 2.4 and 2.8 for the lower and higher fullerene content, respectively. The films' J-V characteristics, of the space charge limited current (SCLC) behaviour, showed increased currents with increasing the fullerene's content. The electron mobility was extracted and found to increase with increasing the fullerene amount, from 4 x 10{sup -9} cm{sup 2}/V s to 2 x 10{sup -7} cm{sup 2}/V s.

  6. Machine Learning

    Chikkagoudar, Satish; Chatterjee, Samrat; Thomas, Dennis G.; Carroll, Thomas E.; Muller, George

    2017-04-21

    The absence of a robust and unified theory of cyber dynamics presents challenges and opportunities for using machine learning based data-driven approaches to further the understanding of the behavior of such complex systems. Analysts can also use machine learning approaches to gain operational insights. In order to be operationally beneficial, cybersecurity machine learning based models need to have the ability to: (1) represent a real-world system, (2) infer system properties, and (3) learn and adapt based on expert knowledge and observations. Probabilistic models and Probabilistic graphical models provide these necessary properties and are further explored in this chapter. Bayesian Networks and Hidden Markov Models are introduced as an example of a widely used data driven classification/modeling strategy.

  7. Teletherapy machine

    Panyam, Vinatha S.; Rakshit, Sougata; Kulkarni, M.S.; Pradeepkumar, K.S.

    2017-01-01

    Radiation Standards Section (RSS), RSSD, BARC is the national metrology institute for ionizing radiation. RSS develops and maintains radiation standards for X-ray, beta, gamma and neutron radiations. In radiation dosimetry, traceability, accuracy and consistency of radiation measurements is very important especially in radiotherapy where the success of patient treatment is dependent on the accuracy of the dose delivered to the tumour. Cobalt teletherapy machines have been used in the treatment of cancer since the early 1950s and India had its first cobalt teletherapy machine installed at the Cancer Institute, Chennai in 1956

  8. Interface engineering for efficient fullerene-free organic solar cells

    Shivanna, Ravichandran; Narayan, K. S., E-mail: rajaram@jncasr.ac.in, E-mail: narayan@jncasr.ac.in [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India); Rajaram, Sridhar, E-mail: rajaram@jncasr.ac.in, E-mail: narayan@jncasr.ac.in [International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064 (India)

    2015-03-23

    We demonstrate the role of zinc oxide (ZnO) morphology and addition of an acceptor interlayer to achieve high efficiency fullerene-free bulk heterojunction inverted organic solar cells. Nanopatterning of the ZnO buffer layer enhances the effective light absorption in the active layer, and the insertion of a twisted perylene acceptor layer planarizes and decreases the electron extraction barrier. Along with an increase in current homogeneity, the reduced work function difference and selective transport of electrons prevent the accumulation of charges and decrease the electron-hole recombination at the interface. These factors enable an overall increase of efficiency to 4.6%, which is significant for a fullerene-free solution-processed organic solar cell.

  9. New insights in low-energy electron-fullerene interactions

    Msezane, Alfred Z.; Felfli, Zineb

    2018-03-01

    The robust Regge-pole methodology has been used to probe for long-lived metastable anionic formation in Cn (n = 20, 24, 26, 28, 44, 70, 92 and 112) through the calculated electron elastic scattering total cross sections (TCSs). All the TCSs are found to be characterized by Ramsauer-Townsend minima, shape resonances and dramatically sharp resonances manifesting metastable anionic formation during the collisions. The energy positions of the anionic ground states resonances are found to match the measured electron affinities (EAs). We also investigated the size-effect through the correlation and polarization induced metastable resonances as the fullerene size varied from C20 through C112. The C20 TCSs exhibit atomic behavior while the C112 TCSs demonstrate strong departure from atomic behavior attributed to the size effect. Surprisingly C24 is found to have the largest EA among the investigated fullerenes making it suitable for use in organic solar cells and nanocatalysis.

  10. Interaction energy for a fullerene encapsulated in a carbon nanotorus

    Sarapat, Pakhapoom; Baowan, Duangkamon; Hill, James M.

    2018-06-01

    The interaction energy of a fullerene symmetrically situated inside a carbon nanotorus is studied. For these non-bonded molecules, the main interaction originates from the van der Waals energy which is modelled by the 6-12 Lennard-Jones potential. Upon utilising the continuum approximation which assumes that there are infinitely many atoms that are uniformly distributed over the surfaces of the molecules, the total interaction energy between the two structures is obtained as a surface integral over the spherical and the toroidal surfaces. This analytical energy is employed to determine the most stable configuration of the torus encapsulating the fullerene. The results show that a torus with major radius around 20-22 Å and minor radius greater than 6.31 Å gives rise to the most stable arrangement. This study will pave the way for future developments in biomolecules design and drug delivery system.

  11. Investigation of fullerene ions in crossed-beams experiments

    Hathiramani, D.; Scheier, P.; Braeuning, H.; Trassl, R.; Salzborn, E.; Presnyakov, L.P.; Narits, A.A.; Uskov, D.B.

    2003-01-01

    Employing the crossed-beams technique, we have studied the interaction of fullerene ions both with electrons and He 2+ -ions. Electron-impact ionization cross sections for C 60 q+ (q=1,2,3) have been measured at electron energies up to 1000 eV. Unusual features in shape and charge state dependence have been found, which are not observed for atomic ions. The evaporative loss of neutral C 2 fragments in collisions with electrons indicates the presence of two different mechanisms. In a first-ever ion-ion crossed-beams experiment involving fullerene ions a cross section of (1.05 ± 0.06) x 10 -15 cm 2 for charge transfer in the collision C 60 + + He 2+ at 117.2 keV center-of-mass energy has been obtained

  12. Classical molecular dynamics simulations of fusion and fragmentation in fullerene-fullerene collisions

    Verkhovtsev, A.; Korol, A.V.; Solovyov, A.V.

    2017-01-01

    We present the results of classical molecular dynamics simulations of collision-induced fusion and fragmentation of C 60 fullerenes, performed by means of the MBN Explorer software package. The simulations provide information on structural differences of the fused compound depending on kinematics of the collision process. The analysis of fragmentation dynamics at different initial conditions shows that the size distributions of produced molecular fragments are peaked for dimers, which is in agreement with a well-established mechanism of C 60 fragmentation via preferential C 2 emission. Atomic trajectories of the colliding particles are analyzed and different fragmentation patterns are observed and discussed. On the basis of the performed simulations, characteristic time of C 2 emission is estimated as a function of collision energy. The results are compared with experimental time-of-flight distributions of molecular fragments and with earlier theoretical studies. Considering the widely explored case study of C 60 -C 60 collisions, we demonstrate broad capabilities of the MBN Explorer software, which can be utilized for studying collisions of a broad variety of nano-scale and bio-molecular systems by means of classical molecular dynamics. (authors)

  13. Growth of Fullerene Fragments Using the Diels-Alder Cycloaddition Reaction: First Step towards a C60 Synthesis by Dimerization

    Julio A. Alonso

    2013-02-01

    Full Text Available Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder cycloaddition reactions to grow fullerene fragments step by step, and to dimerize fullerene fragments, as a way to obtain C60. The dienophile character of the fullerene fragments is dominant, and the reaction of butadiene with pentacyclopentacorannulene is favored.

  14. Single or functionalized fullerenes interacting with heme group

    Costa, Wallison Chaves; Diniz, Eduardo Moraes, E-mail: eduardo.diniz@ufma.br [Departamento de Física, Universidade Federal do Maranhão, Avenida dos Portugueses, 1966, CEP 65080-805, São Luís - MA (Brazil)

    2014-09-15

    The heme group is responsible for iron transportation through the bloodstream, where iron participates in redox reactions, electron transfer, gases detection etc. The efficiency of such processes can be reduced if the whole heme molecule or even the iron is somehow altered from its original oxidation state, which can be caused by interactions with nanoparticles as fullerenes. To verify how such particles alter the geometry and electronic structure of heme molecule, here we report first principles calculations based on density functional theory of heme group interacting with single C{sub 60} fullerene or with C{sub 60} functionalized with small functional groups (−CH{sub 3}, −COOH, −NH{sub 2}, −OH). The calculations shown that the system heme + nanoparticle has a different spin state in comparison with heme group if the fullerene is functionalized. Also a functional group can provide a stronger binding between nanoparticle and heme molecule or inhibit the chemical bonding in comparison with single fullerene results. In addition heme molecule loses electrons to the nanoparticles and some systems exhibited a geometry distortion in heme group, depending on the binding energy. Furthermore, one find that such nanoparticles induce a formation of spin up states in heme group. Moreover, there exist modifications in density of states near the Fermi energy. Although of such changes in heme electronic structure and geometry, the iron atom remains in the heme group with the same oxidation state, so that processes that involve the iron might not be affected, only those that depend on the whole heme molecule.

  15. Thermal Effect on Structure Organizations in Cobalt-Fullerene Nanocomposition

    Lavrentiev, Vasyl; Vacík, Jiří; Naramoto, H.; Sakai, S.

    2010-01-01

    Roč. 10, č. 4 (2010), s. 2624-2629 ISSN 1533-4880 R&D Projects: GA AV ČR(CZ) KAN400480701; GA AV ČR IAA200480702; GA MŠk(CZ) LC06041 Institutional research plan: CEZ:AV0Z10480505 Keywords : cobalt * fullerene * simultaneous deposition Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.351, year: 2010

  16. Is the Use of Fullerene in Photodynamic Therapy Effective for Atherosclerosis?

    Nitta, Norihisa; Seko, Ayumi; Sonoda, Akinaga; Ohta, Shinichi; Tanaka, Toyohiko; Takahashi, Masashi; Murata, Kiyoshi; Takemura, Shizuki; Sakamoto, Tsutomu; Tabata, Yasuhiko

    2008-01-01

    The purpose of this study was to evaluate Fullerene as a therapeutic photosensitizer in the treatment of atherosclerosis. An atherosclerotic experimental rabbit model was prepared by causing intimal injury to bilateral external iliac arteries using balloon expansion. In four atherosclerotic rabbits and one normal rabbit, polyethylene glycol-modified Fullerene (Fullerene-PEG) was infused into the left external iliac artery and illuminated by light emitting diode (LED), while the right external iliac artery was only illuminated by LED. Two weeks later, the histological findings for each iliac artery were evaluated quantitatively and comparisons were made among atherosclerotic Fullerene+LED artery (n = 4), atherosclerotic light artery (n = 4), normal Fullerene+LED artery (n = 1), and normal light artery (n = 1). An additional two atherosclerotic rabbits were studied by fluorescence microscopy, after Fullerene-PEG-Cy5 complex infusion into the left external iliac artery, for evaluation of Fullerene-PEG incorporated within the atherosclerotic lesions. The degree of atherosclerosis in the atherosclerotic Fullerene+LED artery was significantly (p < 0.05) more severe than that in the atherosclerotic LED artery. No pathological change was observed in normal Fullerene+LED and LED arteries. In addition, strong accumulation of Fullerene-PEG-Cy5 complex within the plaque of the left iliac artery of the two rabbits was demonstrated, in contrast to no accumulation in the right iliac artery. We conclude that infusion of a high concentration of Fullerene-PEG followed by photo-illumination resulted not in a suppression of atherosclerosis but in a progression of atherosclerosis in experimental rabbit models. However, this intervention showed no adverse effects on the normal iliac artery

  17. Probing the thermal stability and the decomposition mechanism of a magnesium-fullerene polymer via X-ray Raman spectroscopy, X-ray diffraction and molecular dynamics simulations.

    Aramini, Matteo; Niskanen, Johannes; Cavallari, Chiara; Pontiroli, Daniele; Musazay, Abdurrahman; Krisch, Michael; Hakala, Mikko; Huotari, Simo

    2016-02-21

    We report the microscopic view of the thermal structural stability of the magnesium intercalated fullerene polymer Mg2C60. With the application of X-ray Raman spectroscopy and X-ray diffraction, we study in detail the decomposition pathways of the polymer system upon annealing at temperatures between 300 and 700 °C. We show that there are at least two energy scales involved in the decomposition reaction. Intermolecular carbon bonds, which are responsible for the formation of a 2D fullerene polymer, are broken with a relatively modest thermal energy, while the long-range order of the original polymer remains intact. With an increased thermal energy, the crystal structure in turn is found to undergo a transition to a novel intercalated cubic phase that is stable up to the highest temperature studied here. The local structure surrounding magnesium ions gets severely modified close to, possibly at, the phase transition. We used density functional theory based calculations to study the thermodynamic and kinetic aspects of the collapse of the fullerene network, and to explain the intermediate steps as well as the reaction pathways in the break-up of this peculiar C60 intermolecular bonding architecture.

  18. Fullerene derivatives as electron acceptors for organic photovoltaic cells.

    Mi, Dongbo; Kim, Ji-Hoon; Kim, Hee Un; Xu, Fei; Hwang, Do-Hoon

    2014-02-01

    Energy is currently one of the most important problems humankind faces. Depletion of traditional energy sources such as coal and oil results in the need to develop new ways to create, transport, and store electricity. In this regard, the sun, which can be considered as a giant nuclear fusion reactor, represents the most powerful source of energy available in our solar system. For photovoltaic cells to gain widespread acceptance as a source of clean and renewable energy, the cost per watt of solar energy must be decreased. Organic photovoltaic cells, developed in the past two decades, have potential as alternatives to traditional inorganic semiconductor photovoltaic cells, which suffer from high environmental pollution and energy consumption during production. Organic photovoltaic cells are composed of a blended film of a conjugated-polymer donor and a soluble fullerene-derivative acceptor sandwiched between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)-coated indium tin oxide positive electrode and a low-work-function metal negative electrode. Considerable research efforts aim at designing and synthesizing novel fullerene derivatives as electron acceptors with up-raised lowest unoccupied molecular orbital energy, better light-harvesting properties, higher electron mobility, and better miscibility with the polymer donor for improving the power conversion efficiency of the organic photovoltaic cells. In this paper, we systematically review novel fullerene acceptors synthesized through chemical modification for enhancing the photovoltaic performance by increasing open-circuit voltage, short-circuit current, and fill factor, which determine the performance of organic photovoltaic cells.

  19. Characterizing Cavities in Model Inclusion Fullerenes: A Comparative Study

    Francisco Torrens

    2001-06-01

    Full Text Available Abstract: The fullerene-82 cavity is selected as a model system in order to test several methods for characterizing inclusion molecules. The methods are based on different technical foundations such as a square and triangular tessellation of the molecular surface, spherical tessellation of the molecular surface, numerical integration of the atomic volumes and surfaces, triangular tessellation of the molecular surface, and cubic lattice approach to the molecular volume. Accurate measures of the molecular volume and surface area have been performed with the pseudorandom Monte Carlo (MCVS and uniform Monte Carlo (UMCVS methods. These calculations serve as a reference for the rest of the methods. The SURMO2 method does not recognize the cavity and may not be convenient for intercalation compounds. The programs that detect the cavities never exceed 1% deviation relative to the reference value for molecular volume and 5% for surface area. The GEPOL algorithm, alone or combined with TOPO, shows results in good agreement with those of the UMCVS reference. The uniform random number generator provides the fastest convergence for UMCVS and a correct estimate of the standard deviations. The effect of the internal cavity on the solvent-accessible surfaces has been calculated. Fullerene-82 is compared with fullerene-60 and -70.

  20. Photophysical properties of fullerenes prepared in an atmosphere of pyrrole

    Glenis, S.; Cooke, S.; Chen, X.; Labes, M.M. (Temple Univ., Philadelphia, PA (United States))

    1994-10-01

    Samples of C[sub 60] and C[sub 70] containing a variety of nitrogen-doped species were prepared by arc vaporization of graphite in the presence of pyrrole. Cage-doped fractions were isolated by column chromatography and characterized by mass spectroscopy, optical absorption, and fluorescence measurements. Mass spectra were consistent with the substitution of an even number of carbon atoms of the C[sub 60] and C[sub 70] cages by nitrogen atoms. Carbonaceous clusters including fragmented fullerenes containing hydrogen atoms were also formed. UV-visible spectral analysis indicated that there is an influence of the molecular weight on the fundamental [pi]-[pi]* electronic transition. Fluorescence spectra showed a broad band containing vibrational fine structure that is attributed to photoseparated charges in the fragmented fullerenes and a shoulder on the low-energy side that is related to intrinsic excitation in the nitrogen-doped species. Fluorescence results imply a bandgap of 2.36 eV for the N doped fullerenes and the existence of intermediate excitonic transitions below the optical bandgap. Although it has not yet been possible to isolate a pure cage-doped material, the photophysical studies add credence to their existence and the importance of further attempts at their isolation. 17 refs., 4 figs., 1 tab.

  1. Melting of Pb clusters encapsulated in large fullerenes

    Delogu, Francesco

    2011-01-01

    Graphical abstract: Encapsulation significantly increases the melting point of nanometer-sized Pb particles with respect to the corresponding unsupported ones. Highlights: → Nanometer-sized Pb particles are encapsulated in fullerene cages. → Their thermal behavior is studied by molecular dynamics simulations. → Encapsulated particles undergo a pressure rise as temperature increases. → Encapsulated particles melt at temperatures higher than unsupported ones. - Abstract: Molecular dynamics simulations have been employed to explore the melting behavior of nanometer-sized Pb particles encapsulated in spherical and polyhedral fullerene cages of suitable size. The encapsulated particles, as well as the corresponding unsupported ones for comparison, were submitted to a gradual temperature rise. Encapsulation is shown to severely affect the thermodynamic behavior of Pb particles due to the different thermal expansion coefficients of particles and cages. This determines a volume constraint that induces a rise of pressure inside the fullerene cages, which operate for particles as rigid confinement systems. The result is that surface pre-melting and melting processes occur in encapsulated particles at temperatures higher than in unsupported ones.

  2. Non-fullerene acceptors for organic solar cells

    Yan, Cenqi; Barlow, Stephen; Wang, Zhaohui; Yan, He; Jen, Alex K.-Y.; Marder, Seth R.; Zhan, Xiaowei

    2018-03-01

    Non-fullerene acceptors (NFAs) are currently a major focus of research in the development of bulk-heterojunction organic solar cells (OSCs). In contrast to the widely used fullerene acceptors (FAs), the optical properties and electronic energy levels of NFAs can be readily tuned. NFA-based OSCs can also achieve greater thermal stability and photochemical stability, as well as longer device lifetimes, than their FA-based counterparts. Historically, the performance of NFA OSCs has lagged behind that of fullerene devices. However, recent developments have led to a rapid increase in power conversion efficiencies for NFA OSCs, with values now exceeding 13%, demonstrating the viability of using NFAs to replace FAs in next-generation high-performance OSCs. This Review discusses the important work that has led to this remarkable progress, focusing on the two most promising NFA classes to date: rylene diimide-based materials and materials based on fused aromatic cores with strong electron-accepting end groups. The key structure-property relationships, donor-acceptor matching criteria and aspects of device physics are discussed. Finally, we consider the remaining challenges and promising future directions for the NFA OSCs field.

  3. Features of interaction of fullerenes with microwave radiation

    Venger, E.F.; Konakova, R.V.; Kolyadina, E.Yu.; Matveeva, L.A.; Nelyuba, P.L.; Shinkarenko, V.V.

    2015-01-01

    Hetero systems with C 6 0 fullerenes were obtained by thermal sublimation method of microcrystalline C 6 0 powder from effusion tantalum cell in vacuum at a pressure of 10 -4 Pa onto non-heated silicon substrates. Composition, structural perfection and electronic properties, internal mechanical stresses in the films and the substrate at the interface, the influence on them of electromagnetic radiation (frequency of 2.45 GHz, power of 1.5 W/cm 2 ) were studied. Investigations were carried out by atomic force microscopy, Raman spectroscopy, electro reflectance modulation spectroscopy and hetero systems profilography to determine the sign and magnitude of mechanical stresses. There was the possibility of obtaining heterostructures with fullerenes without mechanical stress and the decomposition of the C 6 0 molecules in the film. Improvement of electronic properties of the films and the substrate was determined by the shift and value of transition energy Eg. This decreases the phenomenological broadening parameter Γ, increases the energy relaxation time of charge carriers τ and their mobility μ. For the first time determined the change of the fullerenes band gap depending on availability of internal mechanical stresses in the film: - 2.8×10 -10 eV/Pa and - 4.2×10 -10 eV/Pa for E0 and E0' transitions, respectively. (authors)

  4. Machine testning

    De Chiffre, Leonardo

    This document is used in connection with a laboratory exercise of 3 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercise includes a series of tests carried out by the student on a conventional and a numerically controled lathe, respectively. This document...

  5. Quantum cloning machines for equatorial qubits

    Fan Heng; Matsumoto, Keiji; Wang Xiangbin; Wadati, Miki

    2002-01-01

    Quantum cloning machines for equatorial qubits are studied. For the case of a one to two phase-covariant quantum cloning machine, we present the networks consisting of quantum gates to realize the quantum cloning transformations. The copied equatorial qubits are shown to be separable by using Peres-Horodecki criterion. The optimal one to M phase-covariant quantum cloning transformations are given

  6. Dynamic Performances of Asynchronous Machines | Ubeku ...

    The per-phase parameters of a 1.5 hp, 380 V, 50 Hz, 4 poles, 3 phase asynchronous machine used in the simulation were computed with reading obtained from a dc, no-load and blocked rotor tests carried out on the machine in the laboratory. The results obtained from the computer simulations confirmed the capabilities ...

  7. Machine rates for selected forest harvesting machines

    R.W. Brinker; J. Kinard; Robert Rummer; B. Lanford

    2002-01-01

    Very little new literature has been published on the subject of machine rates and machine cost analysis since 1989 when the Alabama Agricultural Experiment Station Circular 296, Machine Rates for Selected Forest Harvesting Machines, was originally published. Many machines discussed in the original publication have undergone substantial changes in various aspects, not...

  8. Synthesis and Photophysical Properties of Novel Fullerene Derivatives as Model Compounds for Bulk-Heterojunction PV Cells

    Hal, P.A. van; Langeveld-Voss, B.M.W.; Peeters, E.; Janssen, R.A.J.; Knol, J.; Hummelen, J.C.

    2000-01-01

    Covalent and well-defined oligomer-fullerene donor-acceptor molecular structures can serve as important model systems for plastic PV cells, based on interpenetrating networks of conjugated polymers and fullerene derivatives. Two series of [60]fullerene-oligomer dyads and triads were prepared and

  9. Aggregation behavior of fullerenes in aqueous solutions: a capillary electrophoresis and asymmetric flow field-flow fractionation study

    Astefanei, A.; Núñez, O.; Galceran, M.T.; Kok, W.Th.; Schoenmakers, P.J.

    2015-01-01

    In this work, the electrophoretic behavior of hydrophobic fullerenes [buckminsterfullerene (C-60), C-70, and N-methyl-fulleropyrrolidine (C-60-pyrr)] and water-soluble fullerenes [fullerol (C-60(OH)(24)); polyhydroxy small gap fullerene, hydrated (C-120(OH)(30)); C-60 pyrrolidine tris acid

  10. Design Principles in Polymer-Fullerene BHJ Solar Cells: PBDTTPD as a Case Study

    Beaujuge, Pierre

    2015-06-29

    Among Organic Electronics, solution-processable π-conjugated polymers are proving particularly promising in bulk-heterojunction (BHJ) solar cells with fullerene acceptors such as PCBM.[1] In recent years, great headway has been made in the development of efficient polymer donors across the community, with published power conversion efficiencies (PCE) >8% in single cells and >10% in tandems. In most reports, these systems involve elaborate repeat unit and side chain patterns, and deviating from those patterns induces substantial drops in device PCE. While the range of polymer design parameters that impact BHJ solar cell performance remains a matter of some debate, our recent developments indicate that the combination of side-chain substituents appended to the main chain critically impacts polymer performance. For example, in poly(benzo[1,2-b:4,5-b’]dithiophene–thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD), side-chain substituents of various size and branching impart distinct molecular packing distances (i.e., π–π stacking and lamellar spacing), varying degrees of nanostructural order in thin films, and preferential backbone orientation relative to the device substrate.[2-5] While these structural variations seem to correlate with BHJ solar cell performance, with power conversion efficiencies ranging from 4% to 8.5%,[2,3] we believe that other contributing parameters – such as the local conformations between the polymer and the fullerene, and the domain distribution/composition across the BHJ (i.e., pure/mixed phases) – should also be taken into account.[6,7] Other discrete modifications of PBDTTPD’s molecular structure affect polymer performance in BHJ solar cells with PCBM, and our recent developments emphasize how systematic structure-property relationship studies impact the design of efficient polymer donors for BHJ solar cell applications.[8-10] It is important to further our understanding of these effects as we look to continue improving BHJ solar

  11. Fullerene alloy formation and the benefits for efficient printing of ternary blend organic solar cells

    Angmo, Dechan; Bjerring, Morten; Nielsen, Niels Chr.

    2015-01-01

    behaving as pseudo-binary mixtures due to alloying of the fullerene components. This finding has vast implications for the understanding of polymer–fullerene mixtures and quite certainly also their application in organic solar cells where performance hinges critically on the blend behaviour which is also...

  12. First prediction of the direct effect of a confined atom on photoionization of the confining fullerene

    McCune, Matthew A; De, Ruma; Chakraborty, Himadri S; Madjet, Mohamed E

    2010-01-01

    We predict that the confined atom can qualitatively modify the energetic photoionization of some cage levels, even though these levels are of very dominant fullerene character. The effect imposes strong new oscillations in the cross sections which are forbidden to the ionization of empty fullerenes. Results are presented for the AratC 60 endofullerene compound. (fast track communication)

  13. First prediction of the direct effect of a confined atom on photoionization of the confining fullerene

    McCune, Matthew A; De, Ruma; Chakraborty, Himadri S [Center for Innovation and Entrepreneurship, Department of Chemistry and Physics, Northwest Missouri State University, Maryville, MO 64468 (United States); Madjet, Mohamed E, E-mail: himadri@nwmissouri.ed [Institute of Chemistry and Biochemistry, Free University, Fabeckstrasse 36a, D-14195 Berlin (Germany)

    2010-09-28

    We predict that the confined atom can qualitatively modify the energetic photoionization of some cage levels, even though these levels are of very dominant fullerene character. The effect imposes strong new oscillations in the cross sections which are forbidden to the ionization of empty fullerenes. Results are presented for the AratC{sub 60} endofullerene compound. (fast track communication)

  14. Conjugation-promoted reaction of open-cage fullerene: A density functional theory study

    Guo, Yong

    2012-01-20

    Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated. The obtained results show that the reaction of a carbonyl group on a fullerene orifice with triethyl phosphite most likely proceeds along the classical Abramov reaction; however, the classical product is not stable and is converted into the experimental product. An attack on a fullerene carbonyl carbon will trigger a rearrangement of the phosphate group to the carbonyl oxygen as the conversion transition state is stabilized by fullerene conjugation. This work provides a new insight on the reactivity of open-cage fullerenes, which may prove helpful in designing new switchable fullerene systems. Not that classical: The reaction of a carbonyl group on the fullerene orifice with triethyl phosphite most likely proceeds following the Abramov reaction to firstly form a classical product. However, this product is not stable and turns into an experimental product as the conversion transition state is stabilized by fullerene conjugation (see picture). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Evidence for the existence of sulfur-doped fullerenes from elucidation of their photophysical properties

    Glenis, S.; Cooke, S.; Chen, X.; Labes, M.M. [Temple Univ., Philadelphia, PA (United States)

    1996-01-01

    Cage carbon atoms of fullerenes were substituted by sulfur in sulfur-doped fullerenes synthesized by the authors. The synthesis method was based on the arc evaporation of graphite in the presence of thiophene or 3-methylthiophene. Structural characterization was accomplished through mass spectrometry and fluorescence spectroscopy and crude purification regimens using column chromatography were established. 24 refs., 4 figs., 1 tab.

  16. On the possibility of considering the fullerene shell C{sub 60} as a conducting sphere

    Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Ioffe Physical-Technical Institute, St. Petersburg 194021 (Russian Federation); Baltenkov, A.S. [Arifov Institute of Electronics, Tashkent 700125 (Uzbekistan)]. E-mail: arkbalt@mail.ru

    2006-12-25

    The dynamical and static dipole polarizabilities of the C{sub 60} molecule have been calculated on the basis of the experimental data on the cross section of the fullerene photoabsorption. It has been shown that the fullerene shell in the static electric field behaves most likely as a set of separate carbon atoms rather than as a conducting sphere.

  17. Changes in Agglomeration of Fullerenes During Ingestion and Excretion in Thamnocephalus Platyurus

    The crustacean Thamnocephalus platyurus was exposed to aqueous suspensions of fullerenes C60 and C70. Aqueous fullerene suspensions were formed by stirring C60 and C70 as received from a commercial vendor in deionized water (termed aqu/C60 and aqu/C70) for approximately 100 d. Th...

  18. Molecular understanding of the open-circuit voltage of polymer: Fullerene solar cells

    Yamamoto, Shunsuke; Orimo, Akiko; Benten, Hiroaki; Ito, Shinzaburo [Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo, Kyoto (Japan); Ohkita, Hideo [Japan Science and Technology Agency (JST), PRESTO, Saitama (Japan); Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo, Kyoto (Japan)

    2012-02-15

    The origin of open-circuit voltage (V{sub OC}) was studied for polymer solar cells based on a blend of poly(3-hexylthiophene) (P3HT) and seven fullerene derivatives with different LUMO energy levels and side chains. The temperature dependence of J-V characteristics was analyzed by an equivalent circuit model. As a result, V{sub OC} increased with the decrease in the saturation current density J{sub 0} of the device. Furthermore, J{sub 0} was dependent on the activation energy E{sub A} for J{sub 0}, which is related to the HOMO-LUMO energy gap between P3HT and fullerene. Interestingly, the pre-exponential term J{sub 00} for J{sub 0} was larger for pristine fullerenes than for substituted fullerene derivatives, suggesting that the electronic coupling between molecules also has substantial impact on V{sub OC}. This is probably because the recombination is non-diffusion-limited reaction depending on electron transfer at the P3HT/fullerene interface. In summary, the origin of V{sub OC} is ascribed not only to the relative HOMO-LUMO energy gap but also to the electronic couplings between fullerene/fullerene and polymer/fullerene. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Ultra-low friction and excellent elastic recovery of fullerene-like ...

    Multilayer fullerene-like hydrogenated carbon (FL-C:H) films were synthesized by using the chemical vapourdeposition technique with a different flow rate of methane. The typical fullerene-like structure of as-prepared films wasinvestigated by using transmission electron microscopy and Raman spectra. The prepared ...

  20. Charging machine

    Medlin, J.B.

    1976-01-01

    A charging machine for loading fuel slugs into the process tubes of a nuclear reactor includes a tubular housing connected to the process tube, a charging trough connected to the other end of the tubular housing, a device for loading the charging trough with a group of fuel slugs, means for equalizing the coolant pressure in the charging trough with the pressure in the process tubes, means for pushing the group of fuel slugs into the process tube and a latch and a seal engaging the last object in the group of fuel slugs to prevent the fuel slugs from being ejected from the process tube when the pusher is removed and to prevent pressure liquid from entering the charging machine. 3 claims, 11 drawing figures

  1. Interaction between fullerene halves C{sub n} (n ≤ 40) and single wall carbon nanotube

    Sharma, Amrish, E-mail: amrish99@gmail.com; Kaur, Sandeep, E-mail: sipusukhn@gmail.com [Department of Physics, Punjabi University, Patiala (India); Mudahar, Isha, E-mail: isha@pbi.ac.in [Department of Basic and Applied Sciences, Punjabi University, Patiala (India)

    2016-05-06

    We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C{sub n} (n ≤ 40) which are covalently bonded to the side wall of an armchair single wall carbon nanotube (SWCNT) using first principle method based on density functional theory. The fullerene size results in weak bonding between fullerene halves and carbon nanotube (CNT). Further, it was found that the C-C bond distance that attaches the fullerene half and CNT is of the order of 1.60 Å. The calculated binding energies indicate the stability of the complexes formed. The HOMO-LUMO gaps and electron density of state plots points towards the metallicity of the complex formed. Our calculations on charge transfer reveal that very small amount of charge is transferred from CNT to fullerene halves.

  2. A Sensitive Gold Nanoplasmonic SERS Quantitative Analysis Method for Sulfate in Serum Using Fullerene as Catalyst

    Chongning Li

    2018-04-01

    Full Text Available Fullerene exhibited strong catalysis of the redox reaction between HAuCl4 and trisodium citrate to form gold nanoplasmon with a strong surface-enhanced Raman scattering (SERS effect at 1615 cm−1 in the presence of Vitoria blue B molecule probes. When fullerene increased, the SERS peak enhanced linearly due to formation of more AuNPs as substrate. Upon addition of Ba2+, Ba2+ ions adsorb on the fullerene surface to inhibit the catalysis of fullerene that caused the SERS peak decreasing. Analyte SO42− combined with Ba2+ to form stable BaSO4 precipitate to release free fullerene that the catalysis recovered, and the SERS intensity increased linearly. Thus, a new SERS quantitative analysis method was established for the detection of sulfate in serum samples, with a linear range of 0.03–3.4 μM.

  3. The interactions of high-energy, highly-charged ions with fullerenes

    Ali, R.; Berry, H.G.; Cheng, S.

    1996-01-01

    In 1985, Robert Curl and Richard Smalley discovered a new form of carbon, the fullerene, C 60 , which consists of 60 carbon atoms in a closed cage resembling a soccer ball. In 1990, Kritschmer et al. were able to make macroscopic quantities of fullerenes. This has generated intense activity to study the properties of fullerenes. One area of research involves collisions between fullerenes and atoms, ions or electrons. In this paper we describe experiments involving interactions between fullerenes and highly charged ions in which the center-of-mass energies exceed those used in other work by several orders of magnitude. The high values of projectile velocity and charge state result in excitation and decay processes differing significantly from those seen in studies 3 at lower energies. Our results are discussed in terms of theoretical models analogous to those used in nuclear physics and this provides an interesting demonstration of the unity of physics

  4. Interaction between fullerene halves C_n (n ≤ 40) and single wall carbon nanotube

    Sharma, Amrish; Kaur, Sandeep; Mudahar, Isha

    2016-01-01

    We have investigated the structural and electronic properties of carbon nanotube with small fullerene halves C_n (n ≤ 40) which are covalently bonded to the side wall of an armchair single wall carbon nanotube (SWCNT) using first principle method based on density functional theory. The fullerene size results in weak bonding between fullerene halves and carbon nanotube (CNT). Further, it was found that the C-C bond distance that attaches the fullerene half and CNT is of the order of 1.60 Å. The calculated binding energies indicate the stability of the complexes formed. The HOMO-LUMO gaps and electron density of state plots points towards the metallicity of the complex formed. Our calculations on charge transfer reveal that very small amount of charge is transferred from CNT to fullerene halves.

  5. Genesis machines

    Amos, Martyn

    2014-01-01

    Silicon chips are out. Today's scientists are using real, wet, squishy, living biology to build the next generation of computers. Cells, gels and DNA strands are the 'wetware' of the twenty-first century. Much smaller and more intelligent, these organic computers open up revolutionary possibilities. Tracing the history of computing and revealing a brave new world to come, Genesis Machines describes how this new technology will change the way we think not just about computers - but about life itself.

  6. The impact of electrostatic interactions on ultrafast charge transfer at Ag 29 nanoclusters–fullerene and CdTe quantum dots–fullerene interfaces

    Ahmed, Ghada H.; Parida, Manas R.; Tosato, Alberto; AbdulHalim, Lina G.; Usman, Anwar; Alsulami, Qana; Banavoth, Murali; Alarousu, Erkki; Bakr, Osman; Mohammed, Omar F.

    2015-01-01

    investigate the electrostatic interactions between the positively charged fullerene derivative C60-(N,N dimethylpyrrolidinium iodide) (CF) employed as an efficient molecular acceptor and two different donor molecules: Ag29 nanoclusters (NCs) and CdTe quantum

  7. Identifying product order with restricted Boltzmann machines

    Rao, Wen-Jia; Li, Zhenyu; Zhu, Qiong; Luo, Mingxing; Wan, Xin

    2018-03-01

    Unsupervised machine learning via a restricted Boltzmann machine is a useful tool in distinguishing an ordered phase from a disordered phase. Here we study its application on the two-dimensional Ashkin-Teller model, which features a partially ordered product phase. We train the neural network with spin configuration data generated by Monte Carlo simulations and show that distinct features of the product phase can be learned from nonergodic samples resulting from symmetry breaking. Careful analysis of the weight matrices inspires us to define a nontrivial machine-learning motivated quantity of the product form, which resembles the conventional product order parameter.

  8. Importance of the Donor:Fullerene intermolecular arrangement for high-efficiency organic photovoltaics

    Graham, Kenneth; Cabanetos, Clement; Jahnke, Justin P.; Idso, Matthew N.; El Labban, Abdulrahman; Ngongang Ndjawa, Guy Olivier; Heumueller, Thomas; Vandewal, Koen; Salleo, Alberto; Chmelka, Bradley F.; Amassian, Aram; Beaujuge, Pierre; McGehee, Michael D.

    2014-01-01

    The performance of organic photovoltaic (OPV) material systems are hypothesized to depend strongly on the intermolecular arrangements at the donor:fullerene interfaces. A review of some of the most efficient polymers utilized in polymer:fullerene PV devices, combined with an analysis of reported polymer donor materials wherein the same conjugated backbone was used with varying alkyl substituents, supports this hypothesis. Specifically, the literature shows that higher-performing donor-acceptor type polymers generally have acceptor moieties that are sterically accessible for interactions with the fullerene derivative, whereas the corresponding donor moieties tend to have branched alkyl substituents that sterically hinder interactions with the fullerene. To further explore the idea that the most beneficial polymer:fullerene arrangement involves the fullerene docking with the acceptor moiety, a family of benzo[1,2-b:4,5-b]dithiophene-thieno[3,4-c]pyrrole-4,6-dione polymers (PBDTTPD derivatives) was synthesized and tested in a variety of PV device types with vastly different aggregation states of the polymer. In agreement with our hypothesis, the PBDTTPD derivative with a more sterically accessible acceptor moiety and a more sterically hindered donor moiety shows the highest performance in bulk-heterojunction, bilayer, and low-polymer concentration PV devices where fullerene derivatives serve as the electron-accepting materials. Furthermore, external quantum efficiency measurements of the charge-transfer state and solid-state two-dimensional (2D) 13C{1H} heteronuclear correlation (HETCOR) NMR analyses support that a specific polymer:fullerene arrangement is present for the highest performing PBDTTPD derivative, in which the fullerene is in closer proximity to the acceptor moiety of the polymer. This work demonstrates that the polymer:fullerene arrangement and resulting intermolecular interactions may be key factors in determining the performance of OPV material systems

  9. Importance of the Donor:Fullerene intermolecular arrangement for high-efficiency organic photovoltaics

    Graham, Kenneth

    2014-07-09

    The performance of organic photovoltaic (OPV) material systems are hypothesized to depend strongly on the intermolecular arrangements at the donor:fullerene interfaces. A review of some of the most efficient polymers utilized in polymer:fullerene PV devices, combined with an analysis of reported polymer donor materials wherein the same conjugated backbone was used with varying alkyl substituents, supports this hypothesis. Specifically, the literature shows that higher-performing donor-acceptor type polymers generally have acceptor moieties that are sterically accessible for interactions with the fullerene derivative, whereas the corresponding donor moieties tend to have branched alkyl substituents that sterically hinder interactions with the fullerene. To further explore the idea that the most beneficial polymer:fullerene arrangement involves the fullerene docking with the acceptor moiety, a family of benzo[1,2-b:4,5-b]dithiophene-thieno[3,4-c]pyrrole-4,6-dione polymers (PBDTTPD derivatives) was synthesized and tested in a variety of PV device types with vastly different aggregation states of the polymer. In agreement with our hypothesis, the PBDTTPD derivative with a more sterically accessible acceptor moiety and a more sterically hindered donor moiety shows the highest performance in bulk-heterojunction, bilayer, and low-polymer concentration PV devices where fullerene derivatives serve as the electron-accepting materials. Furthermore, external quantum efficiency measurements of the charge-transfer state and solid-state two-dimensional (2D) 13C{1H} heteronuclear correlation (HETCOR) NMR analyses support that a specific polymer:fullerene arrangement is present for the highest performing PBDTTPD derivative, in which the fullerene is in closer proximity to the acceptor moiety of the polymer. This work demonstrates that the polymer:fullerene arrangement and resulting intermolecular interactions may be key factors in determining the performance of OPV material systems

  10. Adsorption of alanine with heteroatom substituted fullerene for solar cell application: A DFT study.

    Dheivamalar, S; Sugi, L; Ravichandran, K; Sriram, S

    2018-05-14

    C 20 is the most important fullerene cage and alanine is the simplest representation of a backbone unit of the protein. The absorption feasibility of alanine molecule in the Si-doped C 20 and B-doped C 20 fullerenes has been studied based on calculated electronic properties of fullerenes using density functional theory (DFT). In this work, we explore the ability of Si-doped C 20 , B-doped C 20 fullerene to interact with alanine at the DFT-B3LYP/6-31G, RHF level of theory. We find that noticeable structural change takes place in C 20 when one of its carbon is substituted with Si or B. The molecular geometry, electronic properties and vibrational analysis have also been performed on the title compounds. The NMR study reveals the aromaticity of the pure and doped fullerene compounds. Stability of the doped fullerene - alanine compound arises from hyper conjugative interactions. It leads to one of the major property of bioactivity, charge transfer and delocalization of charge and this properties has been analyzed using Natural Bond Orbital (NBO) analysis. The energy gap of the doped fullerene reveals that there is a decrease in the size of energy gap significantly, making them more reactive as compared to C 20 fullerene. Theoretical studies of the electronic spectra by using time - dependent density functional theory (TD-DFT) method were helpful to interpret the observed electronic transition state. We aim to optimize the performance of the solar cells by altering the frontier orbital energy gaps. Considering all studied properties, it may be inferred that the applicability of C 20 fullerene as the non-linear optical (NLO) material and its NLO property would increase on doping fullerene with Si and B atom. Specifically C 19 Si would be better among them. Copyright © 2018. Published by Elsevier B.V.

  11. Fullerene monolayer formation by spray coating

    Cervenka, J.; Flipse, C.F.J.

    2010-01-01

    Many large molecular complexes are limited in thin film applications by their insufficient thermal stability, which excludes deposition via commonly used vapour phase deposition methods. Here we demonstrate an alternative way of monolayer formation of large molecules by a simple spray coating method

  12. Comparative computational study of interaction of C60-fullerene and tris-malonyl-C60-fullerene isomers with lipid bilayer: relation to their antioxidant effect.

    Marine E Bozdaganyan

    Full Text Available Oxidative stress induced by excessive production of reactive oxygen species (ROS has been implicated in the etiology of many human diseases. It has been reported that fullerenes and some of their derivatives-carboxyfullerenes-exhibits a strong free radical scavenging capacity. The permeation of C60-fullerene and its amphiphilic derivatives-C3-tris-malonic-C60-fullerene (C3 and D3-tris-malonyl-C60-fullerene (D3-through a lipid bilayer mimicking the eukaryotic cell membrane was studied using molecular dynamics (MD simulations. The free energy profiles along the normal to the bilayer composed of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC for C60, C3 and D3 were calculated. We found that C60 molecules alone or in clusters spontaneously translocate to the hydrophobic core of the membrane and stay inside the bilayer during the whole period of simulation time. The incorporation of cluster of fullerenes inside the bilayer changes properties of the bilayer and leads to its deformation. In simulations of the tris-malonic fullerenes we discovered that both isomers, C3 and D3, adsorb at the surface of the bilayer but only C3 tends to be buried in the area of the lipid headgroups forming hydrophobic contacts with the lipid tails. We hypothesize that such position has implications for ROS scavenging mechanism in the specific cell compartments.

  13. Representational Machines

    Photography not only represents space. Space is produced photographically. Since its inception in the 19th century, photography has brought to light a vast array of represented subjects. Always situated in some spatial order, photographic representations have been operatively underpinned by social...... to the enterprises of the medium. This is the subject of Representational Machines: How photography enlists the workings of institutional technologies in search of establishing new iconic and social spaces. Together, the contributions to this edited volume span historical epochs, social environments, technological...... possibilities, and genre distinctions. Presenting several distinct ways of producing space photographically, this book opens a new and important field of inquiry for photography research....

  14. Shear machines

    Astill, M.; Sunderland, A.; Waine, M.G.

    1980-01-01

    A shear machine for irradiated nuclear fuel elements has a replaceable shear assembly comprising a fuel element support block, a shear blade support and a clamp assembly which hold the fuel element to be sheared in contact with the support block. A first clamp member contacts the fuel element remote from the shear blade and a second clamp member contacts the fuel element adjacent the shear blade and is advanced towards the support block during shearing to compensate for any compression of the fuel element caused by the shear blade (U.K.)

  15. Contrasting bonding behavior of thiol molecules on carbon fullerene structures

    Mixteco-Sanchez, J.C.; Guirado-Lopez, R.A.

    2003-01-01

    We have performed semiempirical as well as ab initio density-functional theory (DFT) calculations at T=0 to analyze the equilibrium configurations and electronic properties of spheroidal C 60 as well as of cylindrical armchair (5,5) and (8,8) fullerenes passivated with SCH 3 and S(CH 2 ) 2 CH 3 thiols. Our structural results reveal that the lowest-energy configurations of the adsorbates strongly depend on their chain length and on the structure of the underlying substrate. In the low-coverage regime, both SCH 3 and S(CH 2 ) 2 CH 3 molecules prefer to organize into a molecular cluster on one side of the C 60 surface, providing thus a less protective organic coating for the carbon structure. However, with increasing the number of adsorbed thiols, a transition to a more uniform distribution is obtained, which actually takes place for six and eight adsorbed molecules when using S(CH 2 ) 2 CH 3 and SCH 3 chains, respectively. In contrast, for the tubelike arrangements at the low-coverage regime, a quasi-one-dimensional zigzag organization of the adsorbates along the tubes is always preferred. The sulfur-fullerene bond is considerably strong and is at the origin of outward and lateral displacements of the carbon atoms, leading to the stabilization of three-membered rings on the surface (spheroidal structures) as well as to sizable nonuniform radial deformations (cylindrical configurations). The electronic spectrum of our thiol-passivated fullerenes shows strong variations in the energy difference between the highest occupied and lowest unoccupied molecular orbitals as a function of the number and distribution of adsorbed thiols, opening thus the possibility to manipulate the transport properties of these compounds by means of selective adsorption mechanisms

  16. Electronic structure of multi-walled carbon fullerenes

    Doore, Keith; Cook, Matthew; Clausen, Eric; Lukashev, Pavel V; Kidd, Tim E; Stollenwerk, Andrew J

    2017-01-01

    Despite an enormous amount of research on carbon based nanostructures, relatively little is known about the electronic structure of multi-walled carbon fullerenes, also known as carbon onions. In part, this is due to the very high computational expense involved in estimating electronic structure of large molecules. At the same time, experimentally, the exact crystal structure of the carbon onion is usually unknown, and therefore one relies on qualitative arguments only. In this work we present the results of a computational study on a series of multi-walled fullerenes and compare their electronic structures to experimental data. Experimentally, the carbon onions were fabricated using ultrasonic agitation of isopropanol alcohol and deposited onto the surface of highly ordered pyrolytic graphite using a drop cast method. Scanning tunneling microscopy images indicate that the carbon onions produced using this technique are ellipsoidal with dimensions on the order of 10 nm. The majority of differential tunneling spectra acquired on individual carbon onions are similar to that of graphite with the addition of molecular-like peaks, indicating that these particles span the transition between molecules and bulk crystals. A smaller, yet sizable number exhibited a semiconducting gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels. These results are compared with the electronic structure of different carbon onion configurations calculated using first-principles. Similar to the experimental results, the majority of these configurations are metallic with a minority behaving as semiconductors. Analysis of the configurations investigated here reveals that each carbon onion exhibiting an energy band gap consisted only of non-metallic fullerene layers, indicating that the interlayer interaction is not significant enough to affect the total density of states in these structures. (paper)

  17. Electricity of machine tool

    Gijeon media editorial department

    1977-10-01

    This book is divided into three parts. The first part deals with electricity machine, which can taints from generator to motor, motor a power source of machine tool, electricity machine for machine tool such as switch in main circuit, automatic machine, a knife switch and pushing button, snap switch, protection device, timer, solenoid, and rectifier. The second part handles wiring diagram. This concludes basic electricity circuit of machine tool, electricity wiring diagram in your machine like milling machine, planer and grinding machine. The third part introduces fault diagnosis of machine, which gives the practical solution according to fault diagnosis and the diagnostic method with voltage and resistance measurement by tester.

  18. Environmentally Friendly Machining

    Dixit, U S; Davim, J Paulo

    2012-01-01

    Environment-Friendly Machining provides an in-depth overview of environmentally-friendly machining processes, covering numerous different types of machining in order to identify which practice is the most environmentally sustainable. The book discusses three systems at length: machining with minimal cutting fluid, air-cooled machining and dry machining. Also covered is a way to conserve energy during machining processes, along with useful data and detailed descriptions for developing and utilizing the most efficient modern machining tools. Researchers and engineers looking for sustainable machining solutions will find Environment-Friendly Machining to be a useful volume.

  19. Peculiarities of fullerenes condensation from molecular beam in vacuum

    Neluba P. L.

    2011-12-01

    Full Text Available There was investigated С60 fullerenes condensation in vacuum on unheated Si, GaAs, isinglass stone substrates. There were used atomic-force microscopy, Raman scattering and measurement of mechanical stresses in films. It is established that the С60 molecule can decay on the substrates with the formation of other carbon structures in the condensate without supplementary physical effects on the sublimated beam in «evaporator — substrate» space. The possibility was found to increase the grain size and reduce the mechanical stresses in the condensate.

  20. Incomplete Exciton Harvesting from Fullerenes in Bulk Heterojunction Solar Cells

    Burkhard, George F.

    2009-12-09

    We investigate the internal quantum efficiencies (IQEs) of high efficiency poly-3-hexylthiophene:[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) solar cells and find them to be lower at wavelengths where the PCBM absorbs. Because the exciton diffusion length in PCBM is too small, excitons generated in PCBM decay before reaching the donor-acceptor interface. This result has implications for most state of the art organic solar cells, since all of the most efficient devices use fullerenes as electron acceptors. © 2009 American Chemical Society.

  1. Synthesis of endohedral iron-fullerenes by ion implantation

    Minezaki, H.; Ishihara, S.; Uchida, T.; Muramatsu, M.; Kitagawa, A.; Rácz, R.; Biri, S.; Asaji, T.; Kato, Y.; Yoshida, Y.

    2014-01-01

    In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe + ion beam was irradiated to C 60 thin film by using a deceleration system. Fe + -irradiated C 60 thin film was analyzed by high performance liquid chromatography and laser desorption/ ionization time-of-flight mass spectrometry. We investigated the performance of the deceleration system for using a Fe + beam with low energy. In addition, we attempted to isolate the synthesized material from a Fe + -irradiated C 60 thin film by high performance liquid chromatography

  2. Synthesis of endohedral iron-fullerenes by ion implantation

    Minezaki, H.; Ishihara, S. [Graduate School of Engineering, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Uchida, T., E-mail: uchida-t@toyo.jp [Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Muramatsu, M.; Kitagawa, A. [National Institute of Radiological Sciences (NIRS), 4-9-1, Anagawa, Inage-ku, Chiba-shi, Chiba 263-8555 (Japan); Rácz, R.; Biri, S. [Institute of Nuclear Research (ATOMKI), Bem tér 18/C, H-4026 Debrecen (Hungary); Asaji, T. [Oshima National College of Maritime Technology, 1091-1, Komatsu Suou Oshima-city Oshima, Yamaguchi 742-2193 (Japan); Kato, Y. [Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Suita-shi, Osaka 565-0871 (Japan); Yoshida, Y. [Graduate School of Engineering, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan)

    2014-02-15

    In this paper, we discuss the results of our study of the synthesis of endohedral iron-fullerenes. A low energy Fe{sup +} ion beam was irradiated to C{sub 60} thin film by using a deceleration system. Fe{sup +}-irradiated C{sub 60} thin film was analyzed by high performance liquid chromatography and laser desorption/ ionization time-of-flight mass spectrometry. We investigated the performance of the deceleration system for using a Fe{sup +} beam with low energy. In addition, we attempted to isolate the synthesized material from a Fe{sup +}-irradiated C{sub 60} thin film by high performance liquid chromatography.

  3. Adsorption characteristics of heat-treated fullerene nano-whiskers

    Wang, Z-M [Energy Storage Materials Group, Energy Technology Research Institute, National Institute of Advanced Industrial Science and Technology, 16-1 Onogawa, Tsukuba, Ibaraki 305-8569 (Japan); Kato, R; Hotta, K; Miyazawa, K [Fullerene Engineering Group, Advanced Nano Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)], E-mail: zm-wang@aist.go.jp

    2009-04-01

    Fullerene nanowhiskers (FNWs) were synthesized by the liquid-liquid interfacial precipitation method and the adsorption properties of their heat-treated samples were characterized. It was found that vacuum-annealed FNWs at a high temperature are of microporous materials and, especially, ultramicropores are highly developed in these materials. Porosities even remain in samples after heat treatment at a temperature higher than 2273 K. The presence of ultramicroporosity is indicative of the molecular sieving properties of the vacuum-annealed FNW materials, suggesting the possibilities of their application as new materials for gas separation and gas storage.

  4. On the Stability of Fullerene C60 in Aqueous Medium

    Gál, Miroslav; Kolivoška, Viliam; Kavan, Ladislav; Kocábová, Jana; Pospíšil, Lubomír; Hromadová, Magdaléna; Zukalová, Markéta; Sokolová, Romana; Kielar, F.

    2012-01-01

    Roč. 20, č. 8 (2012), s. 737-742 ISSN 1536-383X R&D Projects: GA ČR GP203/09/P502; GA ČR GA203/09/1607; GA ČR GA203/08/1157; GA ČR GA203/09/0705; GA AV ČR IAA400400804; GA AV ČR KAN200100801 Institutional support: RVO:61388955 Keywords : fullerene s * AFM * dispersion Subject RIV: CG - Electrochemistry Impact factor: 0.764, year: 2012

  5. Incomplete Exciton Harvesting from Fullerenes in Bulk Heterojunction Solar Cells

    Burkhard, George F.; Hoke, Eric T.; Scully, Shawn R.; McGehee, Michael D.

    2009-01-01

    We investigate the internal quantum efficiencies (IQEs) of high efficiency poly-3-hexylthiophene:[6,6]-phenyl-C61-butyric acid methyl ester (P3HT:PCBM) solar cells and find them to be lower at wavelengths where the PCBM absorbs. Because the exciton diffusion length in PCBM is too small, excitons generated in PCBM decay before reaching the donor-acceptor interface. This result has implications for most state of the art organic solar cells, since all of the most efficient devices use fullerenes as electron acceptors. © 2009 American Chemical Society.

  6. All-Fullerene-Based Cells for Nonaqueous Redox Flow Batteries.

    Friedl, Jochen; Lebedeva, Maria A; Porfyrakis, Kyriakos; Stimming, Ulrich; Chamberlain, Thomas W

    2018-01-10

    Redox flow batteries have the potential to revolutionize our use of intermittent sustainable energy sources such as solar and wind power by storing the energy in liquid electrolytes. Our concept study utilizes a novel electrolyte system, exploiting derivatized fullerenes as both anolyte and catholyte species in a series of battery cells, including a symmetric, single species system which alleviates the common problem of membrane crossover. The prototype multielectron system, utilizing molecular based charge carriers, made from inexpensive, abundant, and sustainable materials, principally, C and Fe, demonstrates remarkable current and energy densities and promising long-term cycling stability.

  7. Machine Protection

    Schmidt, R

    2014-01-01

    The protection of accelerator equipment is as old as accelerator technology and was for many years related to high-power equipment. Examples are the protection of powering equipment from overheating (magnets, power converters, high-current cables), of superconducting magnets from damage after a quench and of klystrons. The protection of equipment from beam accidents is more recent. It is related to the increasing beam power of high-power proton accelerators such as ISIS, SNS, ESS and the PSI cyclotron, to the emission of synchrotron light by electron–positron accelerators and FELs, and to the increase of energy stored in the beam (in particular for hadron colliders such as LHC). Designing a machine protection system requires an excellent understanding of accelerator physics and operation to anticipate possible failures that could lead to damage. Machine protection includes beam and equipment monitoring, a system to safely stop beam operation (e.g. dumping the beam or stopping the beam at low energy) and an ...

  8. Polymer solar cells based on poly(3-hexylthiophene) and fullerene: Pyrene acceptor systems

    Cominetti, Alessandra; Pellegrino, Andrea; Longo, Luca [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Po, Riccardo, E-mail: riccardo.po@eni.com [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Tacca, Alessandra; Carbonera, Chiara; Salvalaggio, Mario [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Baldrighi, Michele; Meille, Stefano Valdo [Dipartimento di Chimica, Materiali e Ingegneria Chimica “G. Natta”, Politecnico di Milano, via Mancinelli 7, IT-20131 Milano (Italy)

    2015-06-01

    The replacement of widely used fullerene derivatives, e.g. [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), with unfunctionalized C60 and C70 is an effective approach to reduce the costs of organic photovoltaics. However, solubility issues of these compounds have always represented an obstacle to their use. In this study, bulk-heterojunction solar cells made of poly(3-hexylthiophene) donor polymer, C60 or C70 acceptors and a pyrene derivative (1-pyrenebutiric acid butyl ester) are reported. Butyl 1-pyrenebutirate limits the aggregation of fullerenes and improves the active layer morphology, plausibly due to the formation of pyrene-fullerene complexes which, in the case of pyrene-C70, were also obtained in a crystalline form. Maximum power conversion efficiencies of 1.54% and 2.50% have been obtained using, respectively, C60 or C70 as acceptor. Quantum mechanical modeling provides additional insight into the formation of plausible supermolecular structures via π-π interactions and on the redox behaviour of pyrene-fullerene systems. - Highlights: • Pyrene derivatives favour the dispersion of unfunctionalized fullerenes. • Polymer solar cells with pyrene: C60 adduct as acceptor have efficiencies of 1.54%. • When C60 is substituted with C70 the efficiency is increased to 2.50%. • DFT calculations support the plausibility of the formation of pyrene: fullerene adducts. • The use of unfunctionalized fullerenes may decrease the costs of polymer solar cells.

  9. Fullerene C70 decorated TiO2 nanowires for visible-light-responsive photocatalyst

    Cho, Er-Chieh; Ciou, Jing-Hao; Zheng, Jia-Huei; Pan, Job; Hsiao, Yu-Sheng; Lee, Kuen-Chan; Huang, Jen-Hsien

    2015-01-01

    Graphical abstract: - Highlights: • TiO 2 nanowire decorated with C 60 and C 70 derivatives has been synthesized. • The fullerenes impede the charge recombination due to its high electron affinity. • The fullerenes expand the utilization of solar light from UV to visible light. • The modified-TiO 2 has great biocompatibility. - Abstract: In this study, we have synthesized C 60 and C 70 -modified TiO 2 nanowire (NW) through interfacial chemical bonding. The results indicate that the fullerenes (C 60 and C 70 derivatives) can act as sinks for photogenerated electrons in TiO 2 , while the fullerene/TiO 2 is illuminated under ultraviolet (UV) light. Therefore, in comparison to the pure TiO 2 NWs, the modified TiO 2 NWs display a higher photocatalytic activity under UV irradiation. Moreover, the fullerenes also can function as a sensitizer to TiO 2 which expand the utilization of solar light from UV to visible light. The results reveal that the C 70 /TiO 2 NWs show a significant photocatalytic activity for degradation of methylene blue (MB) in visible light region. To better understand the mechanism responsible for the effect of fullerenes on the photocatalytic properties of TiO 2 , the electron only devices and photoelectrochemical cells based on fullerenes/TiO 2 are also fabricated and evaluated.

  10. A data-based technique for monitoring of wound rotor induction machines: A simulation study

    Harrou, Fouzi; Ramahaleomiarantsoa, Jacques F.; Nounou, Mohamed N.; Nounou, Hazem N.

    2016-01-01

    Detecting faults induction machines is crucial for a safe operation of these machines. The aim of this paper is to present a statistical fault detection methodology for the detection of faults in three-phase wound rotor induction machines (WRIM

  11. Mechanism of plasma-arc formation of fullerenes from coal and related materials

    Pang, L S.K.; Wilson, M A; Quezada, R A [CSIRO Petroleum, North Ryde (Australia); and others

    1996-12-31

    When an arc is struck across graphite or coal electrodes in a helium atmosphere several products are formed including soot containing fullerenes. The mechanism by which fullerenes and nanotubes are formed is not understood. At arc temperatures exceeding 3000{degrees}C, highly ordered fullerenes might be expected to be less stable than graphite, and hence fullerene production is believed to proceed in cooler regions at the edge of the arc. There is irrefutable evidence that [C{sub 60}]-fullerene grows in a plasma from atomic carbon vapour or equivalent. When {sup 13}C-labelled carbon powder is packed into the anode, the fullerenes as produced contain a statistical distribution of {sup 13}C atoms. This implies that graphite has split into small units, predominantly C{sub 1} or C{sub 2} in the plasma and these units are involved in fullerene formation. When coal or other organic materials are used in the anode, weaker bonds are present, which may break preferentially. As a result, larger fragments, other than C{sub 1} and C{sub 2} units can exist in the plasma. This paper demonstrates the existence of such larger fragments when various coals are used and this implies that fullerenes can be formed from larger units than C{sub 1} and C{sub 2}. The distribution of polycyclic hydrocarbons formed depends very much on the structure of the coal used for the arcing experiments. The distribution of the natural abundance of {sup 13}C/{sup 12}C ratios in the fullerene products further supports this evidence.

  12. Design and development of a surface micro-machined push–pull-type true-time-delay phase shifter on an alumina substrate for Ka-band T/R module application

    Dey, Sukomal; Koul, Shiban K

    2012-01-01

    A radio frequency micro-electro-mechanical system (RF-MEMS) phase shifter based on the distributed MEMS transmission line (DMTL) concept towards maximum achievable phase shift with low actuation voltage with good figure of merit (FOM) is presented in this paper. This surface micro-machined analog DMTL phase shifter demonstrates low power consumption for implementation in a Ka-band transmit/receive (T/R) module. The push–pull-type switch has been designed and optimized with an analytical method and validated with simulation, which is the fundamental building block of the design of a true-time-delay phase shifter. Change in phase has been designed and optimized in push and pull states with reference to the up-state performance of the phase shifter. The working principle of this push–pull-type DMTL phase shifter has been comprehensively worked out. A thorough detail of the design and performance analysis of the phase shifter has been carried out with various structural parameters using commercially available simulation tools with reference to a change in phase shift and has been verified using a system level simulation. The phase shifter is fabricated on the alumina substrate, using a suspended gold bridge membrane with a surface micromachining process. Asymmetric behaviour of push–pull bridge configuration has been noted and a corresponding effect on mechanical, electrical and RF performances has been extensively investigated. It is demonstrated 114° dB −1 FOM over 0–40 GHz band, which is the highest achievable FOM from a unit cell on an alumina substrate reported so far. A complete phase shifter contributes to a continuous differential phase shift of 0°–360° over 0–40 GHz band with a minimum actuation voltage of 8.1 V which is the highest achievable phase shift with the lowest actuation voltage as per till date on the alumina substrate with good repeatability and return loss better than 11.5 dB over 0–40 GHz band. (paper)

  13. Continuum Navier-Stokes modelling of water ow past fullerene molecules

    Walther, J. H.; Popadic, A.; Koumoutsakos, P.

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...

  14. C(60 fullerene prevents genotoxic effects of doxorubicin in human lymphocytes in vitro

    K. S. Afanasieva

    2015-02-01

    Full Text Available The self-ordering of C60 fullerene, doxorubicin and their mixture precipitated from aqueous solutions was investigated using atomic-force microscopy. The results suggest the complexation between the two compounds. The genotoxicity of doxorubicin in complex with C60 fullerene (С60+Dox was evaluated in vitro with comet assay using human lymphocytes. The obtained results show that the C60 fullerene prevents the toxic effect of Dox in normal cells and, thus, С60+Dox complex might be proposed for biomedical application.

  15. Continuum Navier-Stokes modelling of water flow past fullerene molecules

    Walther, J. H.; Popadic, A.; Koumoutsakos, P.

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the computational cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently...

  16. Effect of fullerene C(60 on ATPase activity and superprecipitation of skeletal muscle actomyosin

    K. S. Andreichenko

    2013-04-01

    Full Text Available Creation of new biocompatible nanomaterials, which can exhibit the specific biological effects, is an important complex problem that requires the use of last accomplishments of biotechnology. The effect of pristine water-soluble fullerene C60 on ATPase activity and superprecipitation reaction of rabbit skeletal muscle natural actomyosin has been revealed, namely an increase of actomyosin superprecipitation and Мg2+, Са2+– and K+-ATPase activity by fullerene was investigated. We conclude that this finding offers a real possibility for the regulation of contraction-relaxation of skeletal muscle with fullerene C60.

  17. Fullerene-doped conducting polymers: effects of enhanced photoconductivity and quenched photoluminescence

    Yoshino, K.; Yin, X.H.; Muro, K.; Kiyomatsu, S.; Morita, S.; Zakhidov, A.A.; Noguchi, T.; Ohnishi, T.

    1993-01-01

    It is found that fullerenes (C 60 , C 70 ), due to their strong electron accepting abilities can be hole generators in conducting polymers sensitizing photoinduced charge transfer. Here we report that photoconductivity of poly(2,5-dialkoxy-p-phenylene-vinylene) OO-PPV is found to be remarkably enhanced by several orders of magnitude upon introduction of several mol % of C 60 . Positive polarons (P + ) photogenerated with increased efficiency due to autoionization of excitons and/or photopumping from fullerene are considered to be responsible for enhanced photoconductivity. Photoluminescence of polymer is strongly quenched upon C 60 doping due to dissociation of excitons accompanied by electron transfer to fullerene. (orig.)

  18. Procedure of identification of fullerenes isolated from iron-carbon alloys

    Zakirnichnaya, M.M.

    2001-01-01

    A method of fullerenes isolation from the structure of iron-carbon alloys and their identification using physical methods which provide determination of the different parameters of nanoobjects is developed. Qualitative (mass-spectrometry of positive and negative ions, small angle X-ray scattering) and quantitative (IR-spectrometry, liquid chromatography) evaluation of fullerenes in the samples obtained from iron-carbon alloys and their visual observation using scanning tunnel microscopy are performed. It is found that the method provides isolation and identification of fullerenes present in the structure of steels and irons [ru

  19. Analysis of machining and machine tools

    Liang, Steven Y

    2016-01-01

    This book delivers the fundamental science and mechanics of machining and machine tools by presenting systematic and quantitative knowledge in the form of process mechanics and physics. It gives readers a solid command of machining science and engineering, and familiarizes them with the geometry and functionality requirements of creating parts and components in today’s markets. The authors address traditional machining topics, such as: single and multiple point cutting processes grinding components accuracy and metrology shear stress in cutting cutting temperature and analysis chatter They also address non-traditional machining, such as: electrical discharge machining electrochemical machining laser and electron beam machining A chapter on biomedical machining is also included. This book is appropriate for advanced undergraduate and graduate mechani cal engineering students, manufacturing engineers, and researchers. Each chapter contains examples, exercises and their solutions, and homework problems that re...

  20. Machine Protection

    Schmidt, R

    2014-01-01

    The protection of accelerator equipment is as old as accelerator technology and was for many years related to high-power equipment. Examples are the protection of powering equipment from overheating (magnets, power converters, high-current cables), of superconducting magnets from damage after a quench and of klystrons. The protection of equipment from beam accidents is more recent. It is related to the increasing beam power of high-power proton accelerators such as ISIS, SNS, ESS and the PSI cyclotron, to the emission of synchrotron light by electron–positron accelerators and FELs, and to the increase of energy stored in the beam (in particular for hadron colliders such as LHC). Designing a machine protection system requires an excellent understanding of accelerator physics and operation to anticipate possible failures that could lead to damage. Machine protection includes beam and equipment monitoring, a system to safely stop beam operation (e.g. dumping the beam or stopping the beam at low energy) and an interlock system providing the glue between these systems. The most recent accelerator, the LHC, will operate with about 3 × 10 14 protons per beam, corresponding to an energy stored in each beam of 360 MJ. This energy can cause massive damage to accelerator equipment in case of uncontrolled beam loss, and a single accident damaging vital parts of the accelerator could interrupt operation for years. This article provides an overview of the requirements for protection of accelerator equipment and introduces the various protection systems. Examples are mainly from LHC, SNS and ESS

  1. An endohedral fullerene-based nuclear spin quantum computer

    Ju Chenyong; Suter, Dieter; Du Jiangfeng

    2011-01-01

    We propose a new scalable quantum computer architecture based on endohedral fullerene molecules. Qubits are encoded in the nuclear spins of the endohedral atoms, which posses even longer coherence times than the electron spins which are used as the qubits in previous proposals. To address the individual qubits, we use the hyperfine interaction, which distinguishes two modes (active and passive) of the nuclear spin. Two-qubit quantum gates are effectively implemented by employing the electronic dipolar interaction between adjacent molecules. The electron spins also assist in the qubit initialization and readout. Our architecture should be significantly easier to implement than earlier proposals for spin-based quantum computers, such as the concept of Kane [B.E. Kane, Nature 393 (1998) 133]. - Research highlights: → We propose an endohedral fullerene-based scalable quantum computer architecture. → Qubits are encoded on nuclear spins, while electron spins serve as auxiliaries. → Nuclear spins are individually addressed using the hyperfine interaction. → Two-qubit gates are implemented through the medium of electron spins.

  2. Prediction of the electron redundant SinNn fullerenes

    Yang, Huihui; Song, Yan; Zhang, Yan; Chen, Hongshan

    2018-05-01

    The stabilities and electronic structures of SimAln-mNn and SinNn (n = 16, 20, m = 12 and n = 24, m = 16) fullerene-like cages have been investigated using density functional method B3LYP and the second-order perturbation theory MP2. The results show that the SimAln-mNn and SinNn fullerenes are more stable than the AlN counterparts. Comparing with the corresponding AlnNn cages, one silicon atom in each Si2N2 square protrudes and the excess electrons reside as lone pair electrons at the outside of the protrudent Si atoms. Analyses on the electronic structures suggest that the Sisbnd N bonds are covalent bonding with strong polarity. The ELF (electron localization function) shows large electron pair probability between Si and N atoms. The orbital interactions between Si and N are stronger than that between Al and N atoms; the overlap integral is 0.40 per Sisbnd N bond in SinNn and 0.34 per Alsbnd N bond in AlnNn. The AIM (atoms in molecule) charges on the Al atoms in AlnNn and SimAln-mNn are 2.37 and 2.40. The charges on the in-plane and protrudent Si atoms are about 2.88 and 1.50 respectively. Considering the large local dipole moments around the protrudent Si atoms, the electrostatic interactions are also favorable to the SiN cages.

  3. Negative differential resistance observation in complex convoluted fullerene junctions

    Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

    2018-04-01

    In this work, we simulated the smallest fullerene molecule, C20 in a two-probe device model with gold electrodes. The gold electrodes comprised of (011) miller planes were carved to construct the novel geometry based four unique shapes, which were strung to fullerene molecules through mechanically controlled break junction techniques. The organized devices were later scrutinized using non-equilibrium Green's function based on the density functional theory to calculate their molecular orbitals, energy levels, charge transfers, and electrical parameters. After intense scrutiny, we concluded that five-edged and six-edged devices have the lowest and highest current-conductance values, which result from their electrode-dominating and electrode-subsidiary effects, respectively. However, an interesting observation was that the three-edged and four-edged electrodes functioned as semi-metallic in nature, allowing the C20 molecule to demonstrate its performance with the complementary effect of these electrodes in the electron conduction process of a two-probe device.

  4. On the additivity of scattering phases in collisions of electrons on endohedrals

    Amusia, M Ya; Chernysheva, L V

    2015-01-01

    It is demonstrated that an inner atom, either Ne or Ar, qualitatively affects the electron scattering phases upon an endohedral, in spite of the fact that the fullerene consists of 60 carbon atoms, while the atom staffed inside is only one. Calculations are performed in the one-electron Hartree-Fock (HF) and random phase approximation with exchange (RPAE) for the inner atom while the fullerenes shell is substituted by static potential without and with the polarization potential. The total endohedral scattering phase is a sum of atomic, Ne or Ar, and fullerenes C 60 phases, contrary to the intuitive assumption that the total phases on C 60 and Ne@C 60 or Ar@C 60 has to be the same. (paper)

  5. Making and exploiting fullerenes, graphene, and carbon nanotubes

    Marcaccio, Massimo; Paolucci, Francesco (eds.) [Bologna Univ. (Italy). Dept. of Chemistry G. Ciamician

    2014-11-01

    This volume contains nine chapters which are presenting critical reviews of the present and future trends in modern chemistry research. The chapter ''Solubilization of Fullerenes, Carbon Nanotubes and Graphene'' by Alain Penicaud describes the various ingenious approaches to solve the solubility issue and describes in particular how graphite, and modern nanocarbons, can be made soluble by reductive dissolution. A large part of the present volume concerns the merging of nanocarbons with nanotechnology and their impact on technical development in many areas. Fullerenes, carbon nanotubes, nanodiamond and graphene find, for instance, various applications in the development of solar cells, including dye sensitized solar cells. The chapter ''Incorporation of Balls, Tubes and Bowls in Nanotechnology'' by James Mack describes the recent development of the area of fullerene fragments, and corannulene in particular, and their direct applications to organic light emitting diode (OLED) technology, while, in the chapter ''Exploiting Nanocarbons in Dye-Sensitized Solar Cells'' by Ladislav Kavan, the exploitation of nanocarbons in the development of novel dye sensitized solar cells with improved efficiency, durability and costs is thoroughly reviewed. The functionalization of CNSs has the invaluable advantage of combining their unique properties with those of other classes of materials. Supramolecular chemistry represents an elegant alternative approach for the construction of functional systems by means of noncovalent bonding interactions. In the chapter ''Supramolecular Chemistry of Carbon Nanotubes'' by Gildas Gavrel et al., the incredibly varied world of supramolecular, non-covalent functionalization of carbon nanotubes and their applications is examined and reviewed, and the synthetic strategies devised for fabricating mechanically-linked molecular architectures are described in the chapter ''Fullerene

  6. Making and exploiting fullerenes, graphene, and carbon nanotubes

    Marcaccio, Massimo; Paolucci, Francesco

    2014-01-01

    This volume contains nine chapters which are presenting critical reviews of the present and future trends in modern chemistry research. The chapter ''Solubilization of Fullerenes, Carbon Nanotubes and Graphene'' by Alain Penicaud describes the various ingenious approaches to solve the solubility issue and describes in particular how graphite, and modern nanocarbons, can be made soluble by reductive dissolution. A large part of the present volume concerns the merging of nanocarbons with nanotechnology and their impact on technical development in many areas. Fullerenes, carbon nanotubes, nanodiamond and graphene find, for instance, various applications in the development of solar cells, including dye sensitized solar cells. The chapter ''Incorporation of Balls, Tubes and Bowls in Nanotechnology'' by James Mack describes the recent development of the area of fullerene fragments, and corannulene in particular, and their direct applications to organic light emitting diode (OLED) technology, while, in the chapter ''Exploiting Nanocarbons in Dye-Sensitized Solar Cells'' by Ladislav Kavan, the exploitation of nanocarbons in the development of novel dye sensitized solar cells with improved efficiency, durability and costs is thoroughly reviewed. The functionalization of CNSs has the invaluable advantage of combining their unique properties with those of other classes of materials. Supramolecular chemistry represents an elegant alternative approach for the construction of functional systems by means of noncovalent bonding interactions. In the chapter ''Supramolecular Chemistry of Carbon Nanotubes'' by Gildas Gavrel et al., the incredibly varied world of supramolecular, non-covalent functionalization of carbon nanotubes and their applications is examined and reviewed, and the synthetic strategies devised for fabricating mechanically-linked molecular architectures are described in the chapter ''Fullerene-Stoppered Bistable Rotaxanes'' by Aurelio Mateo-Alonso, which presents an

  7. Machine terms dictionary

    NONE

    1979-04-15

    This book gives descriptions of machine terms which includes machine design, drawing, the method of machine, machine tools, machine materials, automobile, measuring and controlling, electricity, basic of electron, information technology, quality assurance, Auto CAD and FA terms and important formula of mechanical engineering.

  8. Self-organized critical pinball machine

    Flyvbjerg, H.

    2004-01-01

    The nature of self-organized criticality (SOC) is pin-pointed with a simple mechanical model: a pinball machine. Its phase space is fully parameterized by two integer variables, one describing the state of an on-going game, the other describing the state of the machine. This is the simplest...

  9. Machine Learning applications in CMS

    CERN. Geneva

    2017-01-01

    Machine Learning is used in many aspects of CMS data taking, monitoring, processing and analysis. We review a few of these use cases and the most recent developments, with an outlook to future applications in the LHC Run III and for the High-Luminosity phase.

  10. Co-Exposure with Fullerene May Strengthen Health Effects of Organic Industrial Chemicals

    Lehto, M.; Karilainen, T.; Rog, T.

    2014-01-01

    In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C-60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene...... which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C-60 and organic chemicals represent different...... co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C-60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C-60 that is more...

  11. Soluble fullerene derivatives : The effect of electronic structure on transistor performance and air stability

    Ball, James M.; Bouwer, Ricardo K.M.; Kooistra, Floris B.; Frost, Jarvist M.; Qi, Yabing; Buchaca Domingo, Ester; Smith, Jeremy; de Leeuw, Dago M.; Hummelen, Jan C.; Nelson, Jenny; Kahn, Antoine; Stingelin, Natalie; Bradley, Donal D.C.; Anthopoulos, Thomas D.

    2011-01-01

    The family of soluble fullerene derivatives comprises a widely studied group of electron transporting molecules for use in organic electronic and optoelectronic devices. For electronic applications, electron transporting (n-channel) materials are required for implementation into organic

  12. Conjugation-promoted reaction of open-cage fullerene: A density functional theory study

    Guo, Yong; Yan, Jingjing; Khashab, Niveen M.

    2012-01-01

    Density functional theory calculations are performed to study the addition mechanism of e-rich moieties such as triethyl phosphite to a carbonyl group on the rim of a fullerene orifice. Three possible reaction channels have been investigated

  13. Current Analysis and Modeling of Fullerene Single-Electron Transistor at Room Temperature

    Khadem Hosseini, Vahideh; Ahmadi, Mohammad Taghi; Afrang, Saeid; Ismail, Razali

    2017-07-01

    Single-electron transistors (SETs) are interesting electronic devices that have become key elements in modern nanoelectronic systems. SETs operate quickly because they use individual electrons, with the number transferred playing a key role in their switching behavior. However, rapid transmission of electrons can cause their accumulation at the island, affecting the I- V characteristic. Selection of fullerene as a nanoscale zero-dimensional material with high stability, and controllable size in the fabrication process, can overcome this charge accumulation issue and improve the reliability of SETs. Herein, the current in a fullerene SET is modeled and compared with experimental data for a silicon SET. Furthermore, a weaker Coulomb staircase and improved reliability are reported. Moreover, the applied gate voltage and fullerene diameter are found to be directly associated with the I- V curve, enabling the desired current to be achieved by controlling the fullerene diameter.

  14. Understanding triplet formation pathways in bulk heterojunction polymer : fullerene photovoltaic devices

    Tedla, B.; Zhu, F.; Cox, M.; Drijkoningen, J.; Manca, J.V.; Koopmans, B.; Goovaerts, E.

    2015-01-01

    Triplet exciton (TE) formation pathways are systematically investigated in prototype bulk heterojunction (BHJ) "super yellow" poly(p-phenylene vinylene) (SY-PPV) solar cell devices with varying fullerene compositions using complementary optoelectrical and electrically detected magnetic resonance

  15. Effect of Peierls transition in armchair carbon nanotube on dynamical behaviour of encapsulated fullerene

    Hieu Nguyen

    2011-01-01

    Full Text Available Abstract The changes of dynamical behaviour of a single fullerene molecule inside an armchair carbon nanotube caused by the structural Peierls transition in the nanotube are considered. The structures of the smallest C20 and Fe@C20 fullerenes are computed using the spin-polarized density functional theory. Significant changes of the barriers for motion along the nanotube axis and rotation of these fullerenes inside the (8,8 nanotube are found at the Peierls transition. It is shown that the coefficients of translational and rotational diffusions of these fullerenes inside the nanotube change by several orders of magnitude. The possibility of inverse orientational melting, i.e. with a decrease of temperature, for the systems under consideration is predicted.

  16. Synthesis of Polythiophene–Fullerene Hybrid Additives as Potential Compatibilizers of BHJ Active Layers

    Sofia Kakogianni

    2016-12-01

    Full Text Available Perfluorophenyl functionalities have been introduced as side chain substituents onto regioregular poly(3-hexyl thiophene (rr-P3HT, under various percentages. These functional groups were then converted to azides which were used to create polymeric hybrid materials with fullerene species, either C60 or C70. The P3HT–fullerene hybrids thus formed were thereafter evaluated as potential compatibilizers of BHJ active layers comprising P3HT and fullerene based acceptors. Therefore, a systematic investigation of the optical and morphological properties of the purified polymer–fullerene hybrid materials was performed, via different complementary techniques. Additionally, P3HT:PC70BM blends containing various percentages of the herein synthesized hybrid material comprising rr-P3HT and C70 were investigated via Transmission Electron Microscopy (TEM in an effort to understand the effect of the hybrids as additives on the morphology and nanophase separation of this typically used active layer blend for OPVs.

  17. A bench arc-furnace facility for fullerene and single-wall nanotubes synthesis

    Huber John G

    2001-01-01

    Full Text Available A metallic-sample arc-furnace was modified to synthesize fullerenes and nanotubes. The (reversible changes and the process for producing single-wall nanotubes (SWNTs are described.

  18. Realization of large area flexible fullerene - conjugated polymer photocells: a route to plastic solar cells

    Brabec, C.J.; Padinger, F.; Hummelen, J.C.; Janssen, R.A.J.; Sariciftci, N.S.

    1999-01-01

    Bulk donor — acceptor heterojunctions between conjugated polymers and fullerenes have been utilized for photovoltaic devices with quantum efficiencies of around 1%. These devices are based on the photoinduced, ultrafast electron transfer between non degenerate ground state conjugated polymers and

  19. Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

    Nielsen, Christian B.; Holliday, Sarah; Chen, Hung-Yang; Cryer, Samuel J.; McCulloch, Iain

    2015-01-01

    The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted

  20. Production of metal fullerene surface layer from various media in the process of steel carbonization

    KUZEEV Iskander Rustemovich

    2018-04-01

    Full Text Available Studies devoted to production of metal fullerene layer in steels when introducing carbon from organic and inorganic media were performed. Barium carbonate was used as an inorganic medium and petroleum pitch was used as an organic medium. In order to generate the required amount of fullerenes in the process of steel samples carbonization, optimal temperature mode was found. The higher temperature, absorption and cohesive effects become less important and polymeric carbon structures destruction processes become more important. On the bottom the temperature is limited by petroleum pitch softening temperature and its transition to low-viscous state in order to enhance molecular mobility and improve the possibility of their diffusion to metal surface. Identification of fullerenes in the surface modified layer was carried out following the methods of IR-Fourier spectrometry and high-performance liquid chromatography. It was found out that nanocarbon structures, formed during carbonization in barium carbonate and petroleum pitch mediums, possess different morphology. In the process of metal carbonization from carbonates medium, the main role in fullerenes synthesis is belonged to catalytic effect of surface with generation of endohedral derivatives in the surface layer; but in the process of carbonization from pitch medium fullerenes are formed during crystallization of the latter and crystallization centers are of fullerene type. Based on theoretical data and dataof spectral and chromatographic analysis, optimal conditions of metal fullerene layer formation in barium carbonate and petroleum pitch mediums were determined. Low cohesion of layer, modified in barium carbonate medium, with metal basis was discovered. That was caused by limited carbon diffusion in the volume of α-Fe. According to the detected mechanism of fullerenes formation on steel surface in gaseous medium, fullerenes are formed on catalytic centers – ferrum atoms, forming thin metal

  1. Addiction Machines

    James Godley

    2011-10-01

    Full Text Available Entry into the crypt William Burroughs shared with his mother opened and shut around a failed re-enactment of William Tell’s shot through the prop placed upon a loved one’s head. The accidental killing of his wife Joan completed the installation of the addictation machine that spun melancholia as manic dissemination. An early encryptment to which was added the audio portion of abuse deposited an undeliverable message in WB. Wil- liam could never tell, although his corpus bears the in- scription of this impossibility as another form of pos- sibility. James Godley is currently a doctoral candidate in Eng- lish at SUNY Buffalo, where he studies psychoanalysis, Continental philosophy, and nineteenth-century litera- ture and poetry (British and American. His work on the concept of mourning and “the dead” in Freudian and Lacanian approaches to psychoanalytic thought and in Gothic literature has also spawned an essay on zombie porn. Since entering the Academy of Fine Arts Karlsruhe in 2007, Valentin Hennig has studied in the classes of Sil- via Bächli, Claudio Moser, and Corinne Wasmuht. In 2010 he spent a semester at the Dresden Academy of Fine Arts. His work has been shown in group exhibi- tions in Freiburg and Karlsruhe.

  2. Machine musicianship

    Rowe, Robert

    2002-05-01

    The training of musicians begins by teaching basic musical concepts, a collection of knowledge commonly known as musicianship. Computer programs designed to implement musical skills (e.g., to make sense of what they hear, perform music expressively, or compose convincing pieces) can similarly benefit from access to a fundamental level of musicianship. Recent research in music cognition, artificial intelligence, and music theory has produced a repertoire of techniques that can make the behavior of computer programs more musical. Many of these were presented in a recently published book/CD-ROM entitled Machine Musicianship. For use in interactive music systems, we are interested in those which are fast enough to run in real time and that need only make reference to the material as it appears in sequence. This talk will review several applications that are able to identify the tonal center of musical material during performance. Beyond this specific task, the design of real-time algorithmic listening through the concurrent operation of several connected analyzers is examined. The presentation includes discussion of a library of C++ objects that can be combined to perform interactive listening and a demonstration of their capability.

  3. Machine learning techniques in optical communication

    Zibar, Darko; Piels, Molly; Jones, Rasmus Thomas

    2015-01-01

    Techniques from the machine learning community are reviewed and employed for laser characterization, signal detection in the presence of nonlinear phase noise, and nonlinearity mitigation. Bayesian filtering and expectation maximization are employed within nonlinear state-space framework...

  4. Preparation of fluorescent mesoporous hollow silica-fullerene nanoparticles via selective etching for combined chemotherapy and photodynamic therapy

    Yang, Yannan; Yu, Meihua; Song, Hao; Wang, Yue; Yu, Chengzhong

    2015-07-01

    Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy.Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02769a

  5. Manufacturing Methods for Cutting, Machining and Drilling Composites. Volume 1. Composites Machining Handbook

    1978-08-01

    12°±30’ 1180±2° OPTIONAL .0005 IN./IN. BACK TAPER 015 RAD LIPS TO BE WITHIN .002 OF TRUE ANGULAR POSITION NOTES: 1. LAND WIDTH: 28% ± .005... horoscope and dye-penetrant requirements. 79 PHASE 1 PHASE II PHASE III PHASE IV CUTTING DRILLING MACHINING NONDESTRUCTIVE EVALUATION METHOD MATERIAL

  6. Inflammogenic effect of well-characterized fullerenes in inhalation and intratracheal instillation studies

    Yamamoto Kazuhiro

    2010-03-01

    Full Text Available Abstract Background We used fullerenes, whose dispersion at the nano-level was stabilized by grinding in nitrogen gas in an agitation mill, to conduct an intratracheal instillation study and an inhalation exposure study. Fullerenes were individually dispersed in distilled water including 0.1% Tween 80, and the diameter of the fullerenes was 33 nm. These suspensions were directly injected as a solution in the intratracheal instillation study. The reference material was nickel oxide in distilled water. Wistar male rats intratracheally received a dose of 0.1 mg, 0.2 mg, or 1 mg of fullerenes and were sacrificed after 3 days, 1 week, 1 month, 3 months, and 6 months. In the inhalation study, Wistar rats were exposed to fullerene agglomerates (diameter: 96 ± 5 nm; 0.12 ± 0.03 mg/m3; 6 hours/days for 5 days/week for 4 weeks and were sacrificed at 3 days, 1 month, and 3 months after the end of exposure. The inflammatory responses and gene expression of cytokine-induced neutrophil chemoattractants (CINCs were examined in rat lungs in both studies. Results In the intratracheal instillation study, both the 0.1 mg and 0.2 mg fullerene groups did not show a significant increase of the total cell and neutrophil count in BALF or in the expression of CINC-1,-2αβ and-3 in the lung, while the high-dose, 1 mg group only showed a transient significant increase of neutrophils and expression of CINC-1,-2αβ and -3. In the inhalation study, there were no increases of total cell and neutrophil count in BALF, CINC-1,-2αβ and-3 in the fullerene group. Conclusion These data in intratracheal instillation and inhalation studies suggested that well-dispersed fullerenes do not have strong potential of neutrophil inflammation.

  7. Effect of С(60 fullerene on metabolic and proliferative activity of PKE cell line

    I. V. Belochkina

    2014-04-01

    Full Text Available The effect of С60 fullerene aqueous colloid solution (C60FAS on activity of redox and proliferative processes in PKE (transplantable cell line of pig kidney embryo cells has been studied. In particular, it was established that the presence of С60 fullerene (127 μМ in culturing medium of PKE cells during 48 h did not change their ability to reduce non-toxic АlamarBlue redox indicator and proliferative acti­vity.

  8. On the continuous spectrum electromagnetic radiation in electron-fullerene collision

    Amusia, M.Y.

    1995-01-01

    It is demonstrated that the electromagnetic radiation spectrum in electron-fullerene collisions is dominated by a huge maximum of multielectron nature, similar to that already predicted and observed in photoabsorption. Due to coherence, the intensity of this radiation is much stronger than the sum of the intensities of isolated atoms. Experimental detection of such radiation would be of great importance for understanding the mechanism of its formation and for investigating fullerene structures. A paper describing these results was published

  9. Fullerene Soot in Eastern China Air: Results from Soot Particle-Aerosol Mass Spectrometer

    Wang, J.; Ge, X.; Chen, M.; Zhang, Q.; Yu, H.; Sun, Y.; Worsnop, D. R.; Collier, S.

    2015-12-01

    In this work, we present for the first time, the observation and quantification of fullerenes in ambient airborne particulate using an Aerodyne Soot Particle - Aerosol Mass Spectrometer (SP-AMS) deployed during 2015 winter in suburban Nanjing, a megacity in eastern China. The laser desorption and electron impact ionization techniques employed by the SP-AMS allow us to differentiate various fullerenes from other aerosol components. Mass spectrum of the identified fullerene soot is consisted by a series of high molecular weight carbon clusters (up to m/z of 2000 in this study), almost identical to the spectral features of commercially available fullerene soot, both with C70 and C60 clusters as the first and second most abundant species. This type of soot was observed throughout the entire study period, with an average mass loading of 0.18 μg/m3, accounting for 6.4% of the black carbon mass, 1.2% of the total organic mass. Temporal variation and diurnal pattern of fullerene soot are overall similar to those of black carbon, but are clearly different in some periods. Combining the positive matrix factorization, back-trajectory and analyses of the meteorological parameters, we identified the petrochemical industrial plants situating upwind from the sampling site, as the major source of fullerene soot. In this regard, our findings imply the ubiquitous presence of fullerene soot in ambient air of industry-influenced area, especially the oil and gas production regions. This study also offers new insights into the characterization of fullerenes from other environmental samples via the advanced SP-AMS technique.

  10. Machine Protection System response in 2011

    Zerlauth, M; Wenninger, J

    2012-01-01

    The performance of the machine protection system during the 2011 run is summarized in this paper. Following an analysis of the beam dump causes in comparison to the previous 2010 run, special emphasis will be given to analyse events which risked to exposed parts of the machine to damage. Further improvements and mitigations of potential holes in the protection systems as well as in the change management will be evaluated along with their impact on the 2012 run. The role of the restricted Machine Protection Panel ( rMPP ) during the various operational phases such as commissioning, the intensity ramp up and Machine Developments is being discussed.

  11. Ultrafast spectroscopic investigation of a fullerene poly(3-hexylthiophene) dyad

    Banerji, Natalie; Seifter, Jason; Wang, Mingfeng; Vauthey, Eric; Wudl, Fred; Heeger, Alan J.

    2011-08-01

    We present the femtosecond spectroscopic investigation of a covalently linked dyad, PCB-P3HT, formed by a segment of the conjugated polymer P3HT (regioregular poly(3-hexylthiophene)) that is end capped with the fullerene derivative PCB ([6,6]-phenyl-C61-butyric acid ester), adapted from PCBM. The fluorescence of the P3HT segment in tetrahydrofuran (THF) solution is reduced by 64% in the dyad compared to a control compound without attached fullerene (P3HT-OH). Fluorescence upconversion measurements reveal that the partial fluorescence quenching of PCB-P3HT in THF is multiphasic and occurs on an average time scale of 100 ps, in parallel to excited-state relaxation processes. Judging from ultrafast transient absorption experiments, the origin of the quenching is excitation energy transfer from the P3HT donor to the PCB acceptor. Due to the much higher solubility of P3HT compared to PCB in THF, the PCB-P3HT dyad molecules self-assemble into micelles. When pure C60 is added to the solution, it is incorporated into the fullerene-rich center of the micelles. This dramatically increases the solubility of C60 but does not lead to significant additional quenching of the P3HT fluorescence by the C60 contained in the micelles. In PCB-P3HT thin films drop-cast from THF, the micelle structure is conserved. In contrast to solution, quantitative and ultrafast (microscopy images. Ultrafast charge separation occurs also for the fibrous morphology, but the transient absorption experiments show fast loss of part of the charge carriers due to intensity-induced recombination and annihilation processes and monomolecular interfacial trap-mediated or geminate recombination. The yield of the long-lived charge carriers in the highly organized fibers is however comparable to that obtained with annealed P3HT:PCBM blends. PCB-P3HT can therefore be considered as an active material in organic photovoltaic devices.

  12. Optical limiting properties of fullerenes and related materials

    Riggs, Jason Eric

    Optical limiting properties of fullerene C60 and different C60 derivatives (methano-, pyrrolidino-, and amino-) towards nanosecond laser pulses at 532 nm were studied. The results show that optical limiting responses of the C60 derivatives are similar to those of the parent C60 despite their different linear absorption and emission properties. For C60 and the derivatives in room-temperature solutions of varying concentrations and optical path length, the optical limiting responses are strongly concentration dependent. The concentration dependence is not due to any optical artifacts since the results obtained under the same experimental conditions for reference systems show no such dependence. Similarly, optical limiting results of fullerenes are strongly dependent on the medium viscosity, with responses in viscous media weaker than that in room-temperature solutions. The solution concentration and medium viscosity dependencies are not limited to fullerenes. In fact, the results from a systematic investigation of several classes of nonlinear absorptive organic dyes show that the optical limiting responses are also concentration and medium viscosity dependent. Interestingly, however, such dependencies are uniquely absent in the optical limiting responses of metallophthalocyanines. In classical photophysics, the strong solution concentration and medium viscosity dependencies are indicative of significant contributions from photoexcited-state bimolecular processes. Thus, the experimental results are discussed in terms of a significantly modified five-level reverse saturable absorption mechanism. Optical limiting properties of single-walled and multiple-walled carbon nanotubes toward nanosecond laser pulses at 532 nm were also investigated. When suspended in water, the single-walled and multiple-walled carbon nanotubes exhibit essentially the same optical limiting responses, and the results are also comparable with those of carbon black aqueous suspension. For

  13. Stable Au–C bonds to the substrate for fullerene-based nanostructures

    Taras Chutora

    2017-05-01

    Full Text Available We report on the formation of fullerene-derived nanostructures on Au(111 at room temperature and under UHV conditions. After low-energy ion sputtering of fullerene films deposited on Au(111, bright spots appear at the herringbone corner sites when measured using a scanning tunneling microscope. These features are stable at room temperature against diffusion on the surface. We carry out DFT calculations of fullerene molecules having one missing carbon atom to simulate the vacancies in the molecules resulting from the sputtering process. These modified fullerenes have an adsorption energy on the Au(111 surface that is 1.6 eV higher than that of C60 molecules. This increased binding energy arises from the saturation by the Au surface of the bonds around the molecular vacancy defect. We therefore interpret the observed features as adsorbed fullerene-derived molecules with C vacancies. This provides a pathway for the formation of fullerene-based nanostructures on Au at room temperature.

  14. Self-organization processes in polysiloxane block copolymers, initiated by modifying fullerene additives

    Voznyakovskii, A. P.; Kudoyarova, V. Kh.; Kudoyarov, M. F.; Patrova, M. Ya.

    2017-08-01

    Thin films of a polyblock polysiloxane copolymer and their composites with a modifying fullerene C60 additive are studied by atomic force microscopy, Rutherford backscattering, and neutron scattering. The data of atomic force microscopy show that with the addition of fullerene to the bulk of the polymer matrix, the initial relief of the film surface is leveled more, the larger the additive. This trend is associated with the processes of self-organization of rigid block sequences, which are initiated by the field effect of the surface of fullerene aggregates and lead to an increase in the number of their domains in the bulk of the polymer matrix. The data of Rutherford backscattering and neutron scattering indicate the formation of additional structures with a radius of 60 nm only in films containing fullerene, and their fraction increases with increasing fullerene concentration. A comparative analysis of the data of these methods has shown that such structures are, namely, the domains of a rigid block and are not formed by individual fullerene aggregates. The interrelation of the structure and mechanical properties of polymer films is considered.

  15. Automatic production of fullerenes by a JxB arc jet discharge

    Mieno, Tetsu

    1995-01-01

    Effective production of many kinds of fullerenes including higher fullerenes and endohedral metallo-fullerenes are necessary to advance fullerene science and technology. Currently, the DC arc discharge method is the most effective method to produce fullerenes. However, carbon atoms evaporated from the anode tend to deposit on the cathode, which grow towards the anode, and obstruct the control of the arc discharge. Furthermore, deposited carbon should be removed to maintain continuous fullerene production. Here, to reduce the deposition of carbon on the cathode, a new discharge method is introduced and the experiment performed. When steady magnetic field is applied perpendicular to the DC current of the arc, ions and electrons are accelerated by JxB force as a plasma jet in the vertical direction. This plasma flow also accelerates helium convection due to the viscosity effect. Therefore, the carbon atoms and carbon neutrals are both blown up by the arc jet before arriving at the cathode. The arc flame in the experiment is actually observed to extend upwards, which dearly indicates the effect of the JxB force

  16. Reduction of conspicuous facial pores by topical fullerene: possible role in the suppression of PGE2 production in the skin

    Inui, Shigeki; Mori, Ayako; Ito, Masayuki; Hyodo, Sayuri; Itami, Satoshi

    2014-01-01

    Background Conspicuous facial pores are therapeutic targets for cosmeceuticals. Here we examine the effect of topical fullerene on conspicuous facial pores using a new image analyser called the VISIA® system. Ten healthy Japanese females participated in this study, and they received applications of 1% fullerene lotion to the face twice a day for 8 weeks. Findings Fullerene lotion significantly decreased conspicuous pores by 17.6% (p 

  17. Fullerene films and fullerene-dodecylamine adduct monolayers at air-water interfaces studied by neutron and x-ray reflection

    Wang, J.Y.; Vaknin, D.; Uphaus, R.A.

    1994-01-01

    Neutron and X-ray reflection measurements and surface pressure isotherms of spread films of the fullerene-dodecylamine adduct C60-[NH2(CH2)11CH3]x all indicate that this material may form monomolecular layers on water surfaces. The reflection data sets (neutron on both H2O and D2O) can be accounted...... for by a single model structure defined in terms of the dimensions of an average cell and its chemical composition. This model ascribes a total thickness of about 29 angstrom to the molecular interface layer with the following internal structure. The fullerenes (with several alkyl chains attached) form a central...... stratum and the remainder alkyl tails are located close to both the air and the water interfaces. The alkyl moieties close to the aqueous substrate are hydrated. The reflection experiments and the isotherms suggest that on average 8 +/- 3 dodecylamine molecules are present per fullerene, consistent within...

  18. Monitoring the formation of inorganic fullerene-like MoS2 nanostructures by laser ablation in liquid environments

    Compagnini, Giuseppe; Sinatra, Marco G.; Messina, Gabriele C.; Patanè, Giacomo; Scalese, Silvia; Puglisi, Orazio

    2012-01-01

    Laser ablation of solid targets in liquid media is emerging as a simple, clean and reproducible way to generate a large number of intriguing nanometric structures with peculiar properties. In this work we present some results on the formation of MoS 2 fullerene-like nanoparticles (10-15 nm diameter) obtained by the ablation of crystalline targets in water. Such a top-down approach can be considered greener than standard sulphidization reactions and represents an intriguing single step procedure. The generation of the MoS 2 nanostructures is in competition with that of oxide clusters and strongly depends on the oxidative environment created by the plasma plume. The size, shape and crystalline phase of the obtained nanoparticles are studied by microscopy while X-Ray Photoelectron Spectroscopy is used to investigate the chemical state of produced nanostructures and to propose mechanisms for their growth.

  19. GTC/CanariCam Mid-IR Imaging of the Fullerene-rich Planetary Nebula IC 418: Searching for the Spatial Distribution of Fullerene-like Molecules

    Díaz-Luis, J. J.; García-Hernández, D. A.; Manchado, A.; García-Lario, P.; Villaver, E.; García-Segura, G.

    2018-03-01

    We present seeing-limited narrow-band mid-IR GTC/CanariCam images of the spatially extended fullerene-containing planetary nebula (PN) IC 418. The narrow-band images cover the C60 fullerene band at 17.4 μm, the polycyclic aromatic hydrocarbon like (PAH-like) feature at 11.3 μm, the broad 9–13 μm feature, and their adjacent continua at 9.8 and 20.5 μm. We study the relative spatial distribution of these complex species, all detected in the Spitzer and Infrared Space Observatory spectra of IC 418, with the aim of getting observational constraints to the formation process of fullerenes in H-rich circumstellar environments. A similar ring-like extended structure is seen in all narrow-band filters, except in the dust continuum emission at 9.8 μm, which peaks closer to the central star. The continuum-subtracted images display a clear ring-like extended structure for the carrier of the broad 9–13 μm emission, while the spatial distribution of the (PAH-like) 11.3 μm emission is not so well defined. Interestingly, a residual C60 17.4 μm emission (at about 4σ from the sky background) is seen when subtracting the dust continuum emission at 20.5 μm. This residual C60 emission, if real, might have several interpretations, the most exciting being perhaps that other fullerene-based species like hydrogenated fullerenes with very low H-content may contribute to the observed 17.4 μm emission. We conclude that higher sensitivity mid-IR images and spatially resolved spectroscopic observations (especially in the Q-band) are necessary to get some clues about fullerene formation in PNe.

  20. On the structure and normal modes of hydrogenated Ti-fullerene compounds

    Tlahuice-Flores, Alfredo, E-mail: tlahuicef@yahoo.com [Universidad Nacional Autonoma de Mexico, Instituto de Fisica (Mexico); Mejia-Rosales, Sergio, E-mail: sergio.mejiars@uanl.edu.mx [Universidad Autonoma de Nuevo Leon, CICFIM-Facultad de Ciencias Fisico Matematicas, and Centro de Innovacion, Investigacion y Desarrollo en Ingenieria y Tecnologia (Mexico); Galvan, Donald H., E-mail: donald@cnyn.unam.mx [Centro de Nanociencias y Nanotecnologia-Universidad Nacional Autonoma de Mexico (Mexico)

    2012-08-15

    When titanium covers a C{sub 60} core, the metal atoms may suppress the fullerene's capacity of storing hydrogen, depending on the number of Ti atoms covering the C{sub 60} framework, the Ti-C binding energy, and diffusion barriers. In this article, we study the structural and vibrational properties of the C{sub 60}TiH{sub n} (n = 2, 4, 6, and 8) and C{sub 60}Ti{sub 6}H{sub 48} compounds. The IR spectra of C{sub 60}TiH{sub n} compounds have a maximum attributable to the Ti-H stretching mode, which shifts to lower values in the structures with n = 4, 8, while their Raman spectra show two peaks corresponding to the stretching modes of H{sub 2} molecules at apical and azimuthal positions. On the other hand, the IR spectrum of C{sub 60}Ti{sub 6}H{sub 48} shows an intense peak due to the Ti-H in-phase stretching mode, while its Raman spectrum has a maximum attributed to the pentagonal pinch of the C{sub 60} core. Finally, we have found that the presence of one apical H{sub 2} molecule enhances the pentagonal pinch mode, becoming the maximum in the Raman spectrum.Graphical Abstract.

  1. PDI Derivative through Fine-Tuning Molecular Structure for Fullerene-Free Organic Solar Cells

    Sun, Hua

    2017-08-10

    A perylenediimide (PDI)-based small molecular (SM) acceptor with both an extended π-conjugation and a three dimensional structure concurrently is critical for achieving high performance PDI-based fullerene-free organic solar cells (OSCs). In this work, we designed and synthesized a novel PDI-based SM acceptor possessing both characteristics by fusing PDI units with a spiro core of 4,4’-spirobi[cyclopenta[2,1-b;3,4-b’]dithiophene(SCPDT) through the -position of the thiophene rings. An enhanced strong absorption in the range of 350–520 nm and arisen LUMO energy level of FSP was observed, compared with previous reported acceptor SCPDT-PDI4, in which the PDI units and SCPDT are not fused. OSCs based on PTB7-Th donor and FSP acceptor were fabricated and achieved a power conversion efficiency of up to 8.89% with DPE as an additive. Efficient and complementary photo absorption, favorable phase separation and balanced carrier mobilites in the blend film account for the high photovoltaic performance. This study offers an effective strategy to design high performance PDI-based acceptors.

  2. Laboratory Formation of Fullerenes from PAHs: Top-down Interstellar Chemistry

    Zhen, Junfeng; Castellanos, Pablo; Paardekooper, Daniel M.; Linnartz, Harold; Tielens, Alexander G. G. M.

    2014-12-01

    Interstellar molecules are thought to build up in the shielded environment of molecular clouds or in the envelope of evolved stars. This follows many sequential reaction steps of atoms and simple molecules in the gas phase and/or on (icy) grain surfaces. However, these chemical routes are highly inefficient for larger species in the tenuous environment of space as many steps are involved and, indeed, models fail to explain the observed high abundances. This is definitely the case for the C60 fullerene, recently identified as one of the most complex molecules in the interstellar medium. Observations have shown that, in some photodissociation regions, its abundance increases close to strong UV-sources. In this Letter we report laboratory findings in which C60 formation can be explained by characterizing the photochemical evolution of large polycyclic aromatic hydrocarbons (PAHs). Sequential H losses lead to fully dehydrogenated PAHs and subsequent losses of C2 units convert graphene into cages. Our results present for the first time experimental evidence that PAHs in excess of 60 C-atoms efficiently photo-isomerize to buckminsterfullerene, C60. These laboratory studies also attest to the importance of top-down synthesis routes for chemical complexity in space.

  3. LABORATORY FORMATION OF FULLERENES FROM PAHS: TOP-DOWN INTERSTELLAR CHEMISTRY

    Zhen, Junfeng; Castellanos, Pablo; Tielens, Alexander G. G. M.; Paardekooper, Daniel M.; Linnartz, Harold

    2014-01-01

    Interstellar molecules are thought to build up in the shielded environment of molecular clouds or in the envelope of evolved stars. This follows many sequential reaction steps of atoms and simple molecules in the gas phase and/or on (icy) grain surfaces. However, these chemical routes are highly inefficient for larger species in the tenuous environment of space as many steps are involved and, indeed, models fail to explain the observed high abundances. This is definitely the case for the C 60 fullerene, recently identified as one of the most complex molecules in the interstellar medium. Observations have shown that, in some photodissociation regions, its abundance increases close to strong UV-sources. In this Letter we report laboratory findings in which C 60 formation can be explained by characterizing the photochemical evolution of large polycyclic aromatic hydrocarbons (PAHs). Sequential H losses lead to fully dehydrogenated PAHs and subsequent losses of C 2 units convert graphene into cages. Our results present for the first time experimental evidence that PAHs in excess of 60 C-atoms efficiently photo-isomerize to buckminsterfullerene, C 60 . These laboratory studies also attest to the importance of top-down synthesis routes for chemical complexity in space

  4. Design Principles in Polymer-Fullerene BHJ Solar Cells: PBDTTPD as a Case Study

    Beaujuge, Pierre

    2015-01-01

    For example, in poly(benzo[1,2-b:4,5-b’]dithiophene–thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD), side-chain substituents of various size and branching impart distinct molecular packing distances (i.e., π–π stacking and lamellar spacing), varying degrees of nanostructural order in thin films, and preferential backbone orientation relative to the device substrate.[2-5] While these structural variations seem to correlate with BHJ solar cell performance, with power conversion efficiencies ranging from 4% to 8.5%,[2,3] we believe that other contributing parameters – such as the local conformations between the polymer and the fullerene, and the domain distribution/composition across the BHJ (i.e., pure/mixed phases) – should also be taken into account.[6,7] Other discrete modifications of PBDTTPD’s molecular structure affect polymer performance in BHJ solar cells with PCBM, and our recent developments emphasize how systematic structure-property relationship studies impact the design of efficient polymer donors for BHJ solar cell applications.[8-10] It is important to further our understanding of these effects as we look to continue improving BHJ solar cell efficiencies.

  5. Molecular design of novel fullerene-based acceptors for enhancing the open circuit voltage in polymer solar cells

    Tajbakhsh, Mahmood; Kariminasab, Mohaddeseh; Ganji, Masoud Darvish; Alinezhad, Heshmatollah

    2017-12-01

    Organic solar cells, especially bulk hetero-junction polymer solar cells (PSCs), are the most successful structures for applications in renewable energy. The dramatic improvement in the performance of PSCs has increased demand for new conjugated polymer donors and fullerene derivative acceptors. In the present study, quantum chemical calculations were performed for several representative fullerene derivatives in order to determine their frontier orbital energy levels and electronic structures, thereby helping to enhance their performance in PSC devices. We found correlations between the theoretical lowest unoccupied molecular orbital levels and electrophilicity index of various fullerenes with the experimental open circuit voltage of photovoltaic devices according to the poly(3-hexylthiophene) (P3HT):fullerene blend. The correlations between the structure and descriptors may facilitate screening of the best fullerene acceptor for the P3HT donor. Thus, we considered fullerenes with new functional groups and we predicted the output factors for the corresponding P3HT:fullerene blend devices. The results showed that fullerene derivatives based on thieno-o-quinodimethane-C60 with a methoxy group will have enhanced photovoltaic properties. Our results may facilitate the design of new fullerenes and the development of favorable acceptors for use in photovoltaic applications.

  6. Fulereno[C60]: química e aplicações Fullerene C60: chemistry and applications

    Leandro José dos Santos

    2010-01-01

    Full Text Available Fullerene chemistry has become a very active research field in the two last decades, largely because of the exceptional properties of the C60 molecule and the variety of fullerene derivatives that appear to be possible. In this review, a general analysis of fullerene C60 reactivity is performed. The principal methods for the covalent modification of this fascinating carbon cage are presented. The prospects of using fullerene derivatives as medicinal drugs and photoactive materials in light converting devices are demonstrated.

  7. Young's Modulus of Single-Crystal Fullerene C Nanotubes

    Tokushi Kizuka

    2012-01-01

    Full Text Available We performed bending tests on single-crystal nanotubes composed of fullerene C70 molecules by in situ transmission electron microscopy with measurements of loading forces by an optical deflection method. The nanotubes with the outer diameters of 270–470 nm were bent using simple-beam and cantilever-beam loading by the piezomanipulation of silicon nanotips. Young's modulus of the nanotubes increased from 61 GPa to 110 GPa as the outer diameter decreased from 470 nm to 270 nm. Young's modulus was estimated to be 66% of that of single-crystal C60 nanotubes of the same outer diameter.

  8. Molecular Polarizability of Sc and C (Fullerene and Graphite Clusters

    Francisco Torrens

    2001-05-01

    Full Text Available A method (POLAR for the calculation of the molecular polarizability is presented. It uses the interacting induced dipoles polarization model. As an example, the method is applied to Scn and Cn (fullerene and one-shell graphite model clusters. On varying the number of atoms, the clusters show numbers indicative of particularly polarizable structures. The are compared with reference calculations (PAPID. In general, the Scn calculated (POLAR and Cn computed (POLAR and PAPID are less polarizable than what is inferred from the bulk. However, the Scn calculated (PAPID are more polarizable than what is inferred. Moreover, previous theoretical work yielded the same trend for Sin, Gen and GanAsm small clusters. The high polarizability of the Scn clusters (PAPID is attributed to arise from dangling bonds at the surface of the cluster.

  9. Polychiral semiconducting carbon nanotube-fullerene solar cells.

    Gong, Maogang; Shastry, Tejas A; Xie, Yu; Bernardi, Marco; Jasion, Daniel; Luck, Kyle A; Marks, Tobin J; Grossman, Jeffrey C; Ren, Shenqiang; Hersam, Mark C

    2014-09-10

    Single-walled carbon nanotubes (SWCNTs) have highly desirable attributes for solution-processable thin-film photovoltaics (TFPVs), such as broadband absorption, high carrier mobility, and environmental stability. However, previous TFPVs incorporating photoactive SWCNTs have utilized architectures that have limited current, voltage, and ultimately power conversion efficiency (PCE). Here, we report a solar cell geometry that maximizes photocurrent using polychiral SWCNTs while retaining high photovoltage, leading to record-high efficiency SWCNT-fullerene solar cells with average NREL certified and champion PCEs of 2.5% and 3.1%, respectively. Moreover, these cells show significant absorption in the near-infrared portion of the solar spectrum that is currently inaccessible by many leading TFPV technologies.

  10. Fullerene faraday cage keeps magnetic properties of inner cluster pristine.

    Avdoshenko, Stanislav M

    2018-04-21

    Any single molecular magnets (SMMs) perspective for application is as good as its magnetization stability in ambient conditions. Endohedral metallofullerenes (EMFs) provide a solid basis for promising SMMs. In this study, we investigated the behavior of functionalized EMFs on a gold surface (EMF-L-Au). Having followed the systems molecular dynamics paths, we observed that the chemically locked inner cluster inside fullerene cage will remain locked even at room temperature due to the ligand-effect. We have located multiple possible minima with different charge arrangements between EMF-L-Au fragments. Remarkably, the charge state of the EMF inner cluster remained virtually constant and so magnetic properties are expected to be untouched. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  11. Machine learning topological states

    Deng, Dong-Ling; Li, Xiaopeng; Das Sarma, S.

    2017-11-01

    Artificial neural networks and machine learning have now reached a new era after several decades of improvement where applications are to explode in many fields of science, industry, and technology. Here, we use artificial neural networks to study an intriguing phenomenon in quantum physics—the topological phases of matter. We find that certain topological states, either symmetry-protected or with intrinsic topological order, can be represented with classical artificial neural networks. This is demonstrated by using three concrete spin systems, the one-dimensional (1D) symmetry-protected topological cluster state and the 2D and 3D toric code states with intrinsic topological orders. For all three cases, we show rigorously that the topological ground states can be represented by short-range neural networks in an exact and efficient fashion—the required number of hidden neurons is as small as the number of physical spins and the number of parameters scales only linearly with the system size. For the 2D toric-code model, we find that the proposed short-range neural networks can describe the excited states with Abelian anyons and their nontrivial mutual statistics as well. In addition, by using reinforcement learning we show that neural networks are capable of finding the topological ground states of nonintegrable Hamiltonians with strong interactions and studying their topological phase transitions. Our results demonstrate explicitly the exceptional power of neural networks in describing topological quantum states, and at the same time provide valuable guidance to machine learning of topological phases in generic lattice models.

  12. Theory and modelling of nanocarbon phase stability.

    Barnard, A. S.

    2006-01-01

    The transformation of nanodiamonds into carbon-onions (and vice versa) has been observed experimentally and has been modeled computationally at various levels of sophistication. Also, several analytical theories have been derived to describe the size, temperature and pressure dependence of this phase transition. However, in most cases a pure carbon-onion or nanodiamond is not the final product. More often than not an intermediary is formed, known as a bucky-diamond, with a diamond-like core encased in an onion-like shell. This has prompted a number of studies investigating the relative stability of nanodiamonds, bucky-diamonds, carbon-onions and fullerenes, in various size regimes. Presented here is a review outlining results of numerous theoretical studies examining the phase diagrams and phase stability of carbon nanoparticles, to clarify the complicated relationship between fullerenic and diamond structures at the nanoscale.

  13. Beam-hardening correction by a surface fitting and phase classification by a least square support vector machine approach for tomography images of geological samples

    Khan, F.; Enzmann, F.; Kersten, M.

    2015-12-01

    In X-ray computed microtomography (μXCT) image processing is the most important operation prior to image analysis. Such processing mainly involves artefact reduction and image segmentation. We propose a new two-stage post-reconstruction procedure of an image of a geological rock core obtained by polychromatic cone-beam μXCT technology. In the first stage, the beam-hardening (BH) is removed applying a best-fit quadratic surface algorithm to a given image data set (reconstructed slice), which minimizes the BH offsets of the attenuation data points from that surface. The final BH-corrected image is extracted from the residual data, or the difference between the surface elevation values and the original grey-scale values. For the second stage, we propose using a least square support vector machine (a non-linear classifier algorithm) to segment the BH-corrected data as a pixel-based multi-classification task. A combination of the two approaches was used to classify a complex multi-mineral rock sample. The Matlab code for this approach is provided in the Appendix. A minor drawback is that the proposed segmentation algorithm may become computationally demanding in the case of a high dimensional training data set.

  14. Machine technology: a survey

    Barbier, M.M.

    1981-01-01

    An attempt was made to find existing machines that have been upgraded and that could be used for large-scale decontamination operations outdoors. Such machines are in the building industry, the mining industry, and the road construction industry. The road construction industry has yielded the machines in this presentation. A review is given of operations that can be done with the machines available

  15. Machine Shop Lathes.

    Dunn, James

    This guide, the second in a series of five machine shop curriculum manuals, was designed for use in machine shop courses in Oklahoma. The purpose of the manual is to equip students with basic knowledge and skills that will enable them to enter the machine trade at the machine-operator level. The curriculum is designed so that it can be used in…

  16. Superconducting rotating machines

    Smith, J.L. Jr.; Kirtley, J.L. Jr.; Thullen, P.

    1975-01-01

    The opportunities and limitations of the applications of superconductors in rotating electric machines are given. The relevant properties of superconductors and the fundamental requirements for rotating electric machines are discussed. The current state-of-the-art of superconducting machines is reviewed. Key problems, future developments and the long range potential of superconducting machines are assessed

  17. Identifying the source of a strong fullerene envelope arising from laser desorption mass spectrometric analysis of meteoritic insoluble organic matter

    Hammond, Matthew R.; Zare, Richard N.

    2008-11-01

    Insoluble organic matter (IOM) has been obtained from two carbonaceous chondrite meteorites and subjected to analysis by laser desorption mass spectrometry (LDMS) using standard operating conditions that were optimized for fullerene detection (3-6 μJ pulses at 337 nm focused to a spot size of approximately 100 μm in diameter). The preparation process yields no free C 60 in the IOM, and other experiments suggest that this material does not contain appreciable amounts of fullerenes. Nevertheless, a pronounced high-mass envelope is observed in LDMS, extending from 720 amu to about 4000 amu, with peaks spaced apart every 24 amu (corresponding to the gain or loss of C 2 units). We attribute this high-mass envelope to the existence of various fullerene molecules. The present work demonstrates that these fullerene molecules are created by the laser desorption laser ionization process under typical laser conditions used for studying free fullerenes in organic solvent extracts of natural samples (toluene and 1,2,4-trichlorobenzene). The implications of this false positive detection of fullerene molecules on the reports of fullerenes in other meteoritic samples have been investigated by introducing IOM into typical fullerene extraction procedures and examining the LDMS results. We found that IOM is capable of producing false positive signals in these experiments. The effect of ambient laboratory contamination producing fullerene signals is also described. It is found that extensive centrifugation of the meteoritic extracts is able to reduce the observed fullerene envelope, which points to an association of this envelope with IOM particulates that have passed through the filtering steps. We suggest the exercise of extreme caution in interpreting fullerene data from LDMS experiments.

  18. 2D-QSAR study of fullerene nanostructure derivatives as potent HIV-1 protease inhibitors

    Barzegar, Abolfazl; Jafari Mousavi, Somaye; Hamidi, Hossein; Sadeghi, Mehdi

    2017-09-01

    The protease of human immunodeficiency virus1 (HIV-PR) is an essential enzyme for antiviral treatments. Carbon nanostructures of fullerene derivatives, have nanoscale dimension with a diameter comparable to the diameter of the active site of HIV-PR which would in turn inhibit HIV. In this research, two dimensional quantitative structure-activity relationships (2D-QSAR) of fullerene derivatives against HIV-PR activity were employed as a powerful tool for elucidation the relationships between structure and experimental observations. QSAR study of 49 fullerene derivatives was performed by employing stepwise-MLR, GAPLS-MLR, and PCA-MLR models for variable (descriptor) selection and model construction. QSAR models were obtained with higher ability to predict the activity of the fullerene derivatives against HIV-PR by a correlation coefficient (R2training) of 0.942, 0.89, and 0.87 as well as R2test values of 0.791, 0.67and 0.674 for stepwise-MLR, GAPLS-MLR, and PCA -MLR models, respectively. Leave-one-out cross-validated correlation coefficient (R2CV) and Y-randomization methods confirmed the models robustness. The descriptors indicated that the HIV-PR inhibition depends on the van der Waals volumes, polarizability, bond order between two atoms and electronegativities of fullerenes derivatives. 2D-QSAR simulation without needing receptor's active site geometry, resulted in useful descriptors mainly denoting ;C60 backbone-functional groups; and ;C60 functional groups; properties. Both properties in fullerene refer to the ligand fitness and improvement van der Waals interactions with HIV-PR active site. Therefore, the QSAR models can be used in the search for novel HIV-PR inhibitors based on fullerene derivatives.

  19. Machine and plasma diagnostic instrumentation systems for the Tandem Mirror Experiment Upgrade

    Coutts, G.W.; Coffield, F.E.; Lang, D.D.; Hornady, R.S.

    1981-01-01

    To evaluate performance of a second generation Tandem Mirror Machine, an extensive instrumentation system is being designed and installed as part of the major device fabrication. The systems listed will be operational during the start-up phase of the TMX Upgrade machine and provide bench marks for future performance data. In addition to plasma diagnostic instrumentation, machine parameter monitoring systems will be installed prior to machine operation. Simultaneous recording of machine parameters will permit evaluation of plasma parameters sensitive to machine conditions

  20. Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

    Polkehn, M.; Tamura, H.; Burghardt, I.

    2018-01-01

    This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

  1. Chironomus riparius exposure to fullerene-contaminated sediment results in oxidative stress and may impact life cycle parameters

    Waissi, G.C.; Bold, S.; Pakarinen, K.; Akkanen, J.; Leppänen, M.T.; Petersen, E.J.; Kukkonen, J.V.K.

    2017-01-01

    Highlights: • FullerenesC_6_0 were tested to C. riparius with acute and chronic exposures. • The rapid uptake of fullerenes by C. riparius observed after an acute experiment. • Oxidative stress was localized in tissues under microvilli layer. - Abstract: A key component of understanding the potential environmental risks of fullerenes (C_6_0) is their potential effects on benthic invertebrates. Using the sediment dwelling invertebrate Chironomus riparius we explored the effects of acute (12 h and 24 h) and chronic (10 d, 15 d, and 28 d) exposures of sediment associated fullerenes. The aims of this study were to assess the impact of exposure to C_6_0 in the sediment top layer ((0.025, 0.18 and 0.48) C_6_0 mg/cm"2) on larval growth, oxidative stress and emergence rates and to quantify larval body burdens in similarly exposed organisms. Oxidative stress localization was observed in the tissues next to the microvilli and exoskeleton through a method for identifying oxidative stress reactions generated by reactive oxygen species. Rapid intake of fullerenes was shown in acute experiments, whereas body residues decreased after chronic exposure. Transmission electron microscopy analysis revealed oxidative damage and structural changes in cells located between the lipid droplets and next to the microvilli layer in fullerene exposed samples. Fullerene associated sediments also caused changes in the emergence rate of males and females, suggesting that the cellular interactions described above or other effects from the fullerenes may influence reproduction rates.

  2. Chironomus riparius exposure to fullerene-contaminated sediment results in oxidative stress and may impact life cycle parameters

    Waissi, G.C., E-mail: greta.waissi@uef.fi [Department of Environmental and Biological Sciences, University of Eastern Finland, Joensuu (Finland); Bold, S. [GEOMAR Helmholtz Centre of Ocean for Research Kiel (Germany); Pakarinen, K.; Akkanen, J. [Department of Environmental and Biological Sciences, University of Eastern Finland, Joensuu (Finland); Leppänen, M.T. [Finnish Environment Institute, Jyväskylä (Finland); Petersen, E.J. [Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD (United States); Kukkonen, J.V.K. [University of Jyväskylä, Department of Biological and Environmental Science, Jyväskylä (Finland)

    2017-01-15

    Highlights: • FullerenesC{sub 60} were tested to C. riparius with acute and chronic exposures. • The rapid uptake of fullerenes by C. riparius observed after an acute experiment. • Oxidative stress was localized in tissues under microvilli layer. - Abstract: A key component of understanding the potential environmental risks of fullerenes (C{sub 60}) is their potential effects on benthic invertebrates. Using the sediment dwelling invertebrate Chironomus riparius we explored the effects of acute (12 h and 24 h) and chronic (10 d, 15 d, and 28 d) exposures of sediment associated fullerenes. The aims of this study were to assess the impact of exposure to C{sub 60} in the sediment top layer ((0.025, 0.18 and 0.48) C{sub 60} mg/cm{sup 2}) on larval growth, oxidative stress and emergence rates and to quantify larval body burdens in similarly exposed organisms. Oxidative stress localization was observed in the tissues next to the microvilli and exoskeleton through a method for identifying oxidative stress reactions generated by reactive oxygen species. Rapid intake of fullerenes was shown in acute experiments, whereas body residues decreased after chronic exposure. Transmission electron microscopy analysis revealed oxidative damage and structural changes in cells located between the lipid droplets and next to the microvilli layer in fullerene exposed samples. Fullerene associated sediments also caused changes in the emergence rate of males and females, suggesting that the cellular interactions described above or other effects from the fullerenes may influence reproduction rates.

  3. Growth and Potential Damage of Human Bone-Derived Cells on Fresh and Aged Fullerene C60 Films

    Jiri Vacik

    2013-04-01

    Full Text Available Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS. We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

  4. Growth and potential damage of human bone-derived cells on fresh and aged fullerene c60 films.

    Kopova, Ivana; Bacakova, Lucie; Lavrentiev, Vasily; Vacik, Jiri

    2013-04-26

    Fullerenes are nanoparticles composed of carbon atoms arranged in a spherical hollow cage-like structure. Numerous studies have evaluated the therapeutic potential of fullerene derivates against oxidative stress-associated conditions, including the prevention or treatment of arthritis. On the other hand, fullerenes are not only able to quench, but also to generate harmful reactive oxygen species. The reactivity of fullerenes may change in time due to the oxidation and polymerization of fullerenes in an air atmosphere. In this study, we therefore tested the dependence between the age of fullerene films (from one week to one year) and the proliferation, viability and metabolic activity of human osteosarcoma cells (lines MG-63 and U-2 OS). We also monitored potential membrane and DNA damage and morphological changes of the cells. After seven days of cultivation, we did not observe any cytotoxic morphological changes, such as enlarged cells or cytosolic vacuole formation. Furthermore, there was no increased level of DNA damage. The increasing age of the fullerene films did not cause enhancement of cytotoxicity. On the contrary, it resulted in an improvement in the properties of these materials, which are more suitable for cell cultivation. Therefore, fullerene films could be considered as a promising material with potential use as a bioactive coating of cell carriers for bone tissue engineering.

  5. Potentiometric urea biosensor based on an immobilised fullerene-urease bio-conjugate.

    Saeedfar, Kasra; Heng, Lee Yook; Ling, Tan Ling; Rezayi, Majid

    2013-12-06

    A novel method for the rapid modification of fullerene for subsequent enzyme attachment to create a potentiometric biosensor is presented. Urease was immobilized onto the modified fullerene nanomaterial. The modified fullerene-immobilized urease (C60-urease) bioconjugate has been confirmed to catalyze the hydrolysis of urea in solution. The biomaterial was then deposited on a screen-printed electrode containing a non-plasticized poly(n-butyl acrylate) (PnBA) membrane entrapped with a hydrogen ionophore. This pH-selective membrane is intended to function as a potentiometric urea biosensor with the deposition of C60-urease on the PnBA membrane. Various parameters for fullerene modification and urease immobilization were investigated. The optimal pH and concentration of the phosphate buffer for the urea biosensor were 7.0 and 0.5 mM, respectively. The linear response range of the biosensor was from 2.31 × 10-3 M to 8.28 × 10-5 M. The biosensor's sensitivity was 59.67 ± 0.91 mV/decade, which is close to the theoretical value. Common cations such as Na+, K+, Ca2+, Mg2+ and NH4+ showed no obvious interference with the urea biosensor's response. The use of a fullerene-urease bio-conjugate and an acrylic membrane with good adhesion prevented the leaching of urease enzyme and thus increased the stability of the urea biosensor for up to 140 days.

  6. Effect of linear alcohol molecular size on the self-assembly of fullerene whiskers

    Amer, Maher S.; Todd, T. Kyle; Busbee, John D.

    2011-01-01

    Highlights: → The longer the alcohol molecule, the shorter the length of the assembled whisker. → Interaction between alcohol and fullerene solvent is the key factor. → The stronger the alcohol/solvent interaction, the longer the whisker. - Abstract: The recent development of self-assembled fullerene whiskers and wires has created an enormous potential and resolved a serious challenge for utilizing such unique class of carbon material in advanced nano-scale, molecular-based electronic, optical, and thermal devices. In this paper we investigate, the self-assembly of C 60 molecules into one-dimensional whiskers using a series of linear alcohols H(CH 2 ) n OH, with n changing from 1 (methanol) to 3 (isopropyl alcohol), to elucidate the effect of alcohol molecular size on the size distribution of the self-assemble fullerene whiskers. Our results show that the length of the produced fullerene whiskers is affected by the molecular size of the alcohol used in the process. The crucial role played by solvent/alcohol interaction in the assembly process is discussed. In addition, Raman spectroscopy measurements support the notion that the self-assembled whiskers are primarily held by depletion forces and no evidence of fullerene polymerization was observed.

  7. Co-exposure with fullerene may strengthen health effects of organic industrial chemicals.

    Maili Lehto

    Full Text Available In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1β and TNF-α is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water.

  8. Transformation of methano[60]fullerenes in dihydrofullerofuranes induced by electron transfer

    Yanilkin, V.V.; Toropchina, A.V.; Morozov, V.I.; Nastapova, N.V.; Gubskaya, V.P.; Sibgatullina, F.G.; Azancheev, N.M.; Efremov, Yu.Ya.; Nuretdinov, I.A.

    2004-01-01

    The electrochemical reduction of methano[60]fullerenes (61-acetyl-61-(diethoxyphosphoryl)methano-60-fullerene 1, 61-acetyl-61-(diisopropoxyphosphoryl)methano-60-fullerene 2, 61-(2,2-diethoxyacetyl)-61-(diethoxy-phosphoryl)methano-60-fullerene 3, 61-phenyl-61-(1,2-dioxo-3,3-dimethyl-buthyl)methano-60-fullerene 4) in o-dichlorobenzene-DMF (3:1 v/v)/0.1 M Bu 4 NBF 4 on a glass-carbon electrode proceeds in a few steps. The reversible transfer of the first electron results in the formation of radical anions registered by ESR method. The subsequent reduction proceeds differently because of the various stability of anionic intermediates. The radical anions of the methanofullerenes 3 and 4 are less stable than the radical anions of compounds 1 and 2 and less stable than the radical anions of methanofullerenes, which contain an ester and/or a phosphonate group. The opening of a cyclopropane ring occurs during the stage of the formation of radical trianions of methanofullerenes 1, 2. The same process for compounds 3, 4 proceeds slowly in radical anions and fast in dianions. The opening of cyclopropane ring for all compounds is not accompanied by the elimination of methanogroup and results in the formation of dihydrofullerenofurane derivatives. The transformation of methanofullerene 3 induced by single electron transfer proceeds via a chain reaction mechanism

  9. Automatic Sub-Pixel Co-Registration of LandSat-8 OLI and Sentinel-2A MSI Images Using Phase Correlation and Machine Learning Based Mapping

    Skakun, Sergii; Roger, Jean-Claude; Vermote, Eric F.; Masek, Jeffrey G.; Justice, Christopher O.

    2017-01-01

    This study investigates misregistration issues between Landsat-8/OLI and Sentinel-2A/MSI at 30 m resolution, and between multi-temporal Sentinel-2A images at 10 m resolution using a phase correlation approach and multiple transformation functions. Co-registration of 45 Landsat-8 to Sentinel-2A pairs and 37 Sentinel-2A to Sentinel-2A pairs were analyzed. Phase correlation proved to be a robust approach that allowed us to identify hundreds and thousands of control points on images acquired more than 100 days apart. Overall, misregistration of up to 1.6 pixels at 30 m resolution between Landsat-8 and Sentinel-2A images, and 1.2 pixels and 2.8 pixels at 10 m resolution between multi-temporal Sentinel-2A images from the same and different orbits, respectively, were observed. The non-linear Random Forest regression used for constructing the mapping function showed best results in terms of root mean square error (RMSE), yielding an average RMSE error of 0.07+/-0.02 pixels at 30 m resolution, and 0.09+/-0.05 and 0.15+/-0.06 pixels at 10 m resolution for the same and adjacent Sentinel-2A orbits, respectively, for multiple tiles and multiple conditions. A simpler 1st order polynomial function (affine transformation) yielded RMSE of 0.08+/-0.02 pixels at 30 m resolution and 0.12+/-0.06 (same Sentinel-2A orbits) and 0.20+/-0.09 (adjacent orbits) pixels at 10 m resolution.

  10. Machine tool structures

    Koenigsberger, F

    1970-01-01

    Machine Tool Structures, Volume 1 deals with fundamental theories and calculation methods for machine tool structures. Experimental investigations into stiffness are discussed, along with the application of the results to the design of machine tool structures. Topics covered range from static and dynamic stiffness to chatter in metal cutting, stability in machine tools, and deformations of machine tool structures. This volume is divided into three sections and opens with a discussion on stiffness specifications and the effect of stiffness on the behavior of the machine under forced vibration c

  11. The Role of Electron Affinity in Determining Whether Fullerenes Catalyze or Inhibit Photooxidation of Polymers for Solar Cells

    Hoke, Eric T.

    2012-05-21

    Understanding the stability and degradation mechanisms of organic solar materials is critically important to achieving long device lifetimes. Here, an investigation of the photodegradation of polymer:fullerene blend fi lms exposed to ambient conditions for a variety of polymer and fullerene derivative combinations is presented. Despite the wide range in polymer stabilities to photodegradation, the rate of irreversible polymer photobleaching in blend fi lms is found to consistently and dramatically increase with decreasing electron affi nity of the fullerene derivative. Furthermore, blends containing fullerenes with the smallest electron affi nities photobleached at a faster rate than fi lms of the pure polymer. These observations can be explained by a mechanism where both the polymer and fullerene donate photogenerated electrons to diatomic oxygen to form the superoxide radical anion which degrades the polymer. © 2012 WILEY-VCH Verlag GmbH & Co.

  12. Computational Nanotechnology Molecular Electronics, Materials and Machines

    Srivastava, Deepak; Biegel, Bryan A. (Technical Monitor)

    2002-01-01

    This presentation covers research being performed on computational nanotechnology, carbon nanotubes and fullerenes at the NASA Ames Research Center. Topics cover include: nanomechanics of nanomaterials, nanotubes and composite materials, molecular electronics with nanotube junctions, kinky chemistry, and nanotechnology for solid-state quantum computers using fullerenes.

  13. Structural evolution of a uranyl peroxide nano-cage fullerene: U60, at elevated pressures

    Turner, K. M.; Lin, Y.; Zhang, F.; McGrail, B.; Burns, P. C.; Mao, W. L.; Ewing, R. C.

    2015-12-01

    U60 is a uranyl peroxide nano-cage that adopts a highly symmetric fullerene topology; it is topologically identical to C60. Several studies on the aqueous-phase of U60 clusters, [UO2(O2)(OH)]6060-, have shown its persistence in complex solutions and over lengthy time scales. Peroxide enhances corrosion of nuclear fuel in a reactor accident-uranyl peroxides often form near contaminated sites. U60 (Fm-3) crystallizes with approximate formula: Li68K12(OH)20[UO2(O2)(OH)]60(H2O)310. Here, we have used the diamond anvil cell (DAC) to examine U60 to understand the stability of this cluster at high pressures. We used a symmetric DAC with 300 μm culet diamonds and two different pressure-transmitting media: a mixture of methanol+ethanol and silicone oil. Using a combination of in situ Raman spectroscopy and synchrotron XRD, and electrospray ionization mass spectroscopy (ESI-MS) ex situ, we have determined the pressure-induced evolution of U60. Crystalline U60 undergoes an irreversible phase transition to a tetragonal structure at 4.1 GPa, and irreversibly amorphizes at 13 GPa. The amorphous phase likely consists of clusters of U60. Above 15 GPa, the U60 cluster is irreversibly destroyed. ESI-MS shows that this phase consists of species that likely have between 10-20 uranium atoms. Raman spectroscopy complements the diffraction measurements. U60 shows two dominant vibrational modes: a symmetric stretch of the uranyl U-O triple bond (810 cm-1), and a symmetric stretch of the U-O2-U peroxide bond (820 cm-1). As pressure is increased, these modes shift to higher wavenumbers, and overlap at 4 GPa. At 15 GPa, their intensity decreases below detection. These experiments reveal several novel behaviors including a new phase of U60. Notably, the amorphization of U60 occurs before the collapse of its cluster topology. This is different from the behavior of solvated C60 at high pressure, which maintains a hcp structure up to 30 GPa, while the clusters disorder. These results suggest

  14. MITS machine operations

    Flinchem, J.

    1980-01-01

    This document contains procedures which apply to operations performed on individual P-1c machines in the Machine Interface Test System (MITS) at AiResearch Manufacturing Company's Torrance, California Facility

  15. Brain versus Machine Control.

    Jose M Carmena

    2004-12-01

    Full Text Available Dr. Octopus, the villain of the movie "Spiderman 2", is a fusion of man and machine. Neuroscientist Jose Carmena examines the facts behind this fictional account of a brain- machine interface

  16. Applied machining technology

    Tschätsch, Heinz

    2010-01-01

    Machining and cutting technologies are still crucial for many manufacturing processes. This reference presents all important machining processes in a comprehensive and coherent way. It includes many examples of concrete calculations, problems and solutions.

  17. Machining with abrasives

    Jackson, Mark J

    2011-01-01

    Abrasive machining is key to obtaining the desired geometry and surface quality in manufacturing. This book discusses the fundamentals and advances in the abrasive machining processes. It provides a complete overview of developing areas in the field.

  18. Machine medical ethics

    Pontier, Matthijs

    2015-01-01

    The essays in this book, written by researchers from both humanities and sciences, describe various theoretical and experimental approaches to adding medical ethics to a machine in medical settings. Medical machines are in close proximity with human beings, and getting closer: with patients who are in vulnerable states of health, who have disabilities of various kinds, with the very young or very old, and with medical professionals. In such contexts, machines are undertaking important medical tasks that require emotional sensitivity, knowledge of medical codes, human dignity, and privacy. As machine technology advances, ethical concerns become more urgent: should medical machines be programmed to follow a code of medical ethics? What theory or theories should constrain medical machine conduct? What design features are required? Should machines share responsibility with humans for the ethical consequences of medical actions? How ought clinical relationships involving machines to be modeled? Is a capacity for e...

  19. Recent Advances in Electrochemical Biosensors Based on Fullerene-C60 Nano-Structured Platforms.

    Pilehvar, Sanaz; De Wael, Karolien

    2015-11-23

    Nanotechnology is becoming increasingly important in the field of (bio)sensors. The performance and sensitivity of biosensors is greatly improved with the integration of nanomaterials into their construction. Since its first discovery, fullerene-C60 has been the object of extensive research. Its unique and favorable characteristics of easy chemical modification, conductivity, and electrochemical properties has led to its tremendous use in (bio)sensor applications. This paper provides a concise review of advances in fullerene-C60 research and its use as a nanomaterial for the development of biosensors. We examine the research work reported in the literature on the synthesis, functionalization, approaches to nanostructuring electrodes with fullerene, and outline some of the exciting applications in the field of (bio)sensing.

  20. Electrochemical oxidation of sulfites by DWCNTs, MWCNTs, higher fullerenes and manganese

    Uzun, Dzhamal; Pchelarov, George; Dimitrov, Ognian; Vassilev, Sasho; Obretenov, Willi; Petrov, Konstantin

    2018-03-01

    Different electrocatalysts were tested for oxidation of sulfites to sulfates, namely, manganese thin films deposited on fullerenes and carbon nanotubes. The results presented clearly show that electrodes containing HFs (higher fullerenes), DWCNTs (double-wall carbon nanotubes) and manganese acetate are effective catalysts in S/O2 fuel cells. HFs and DWCNTs have high catalytic activity and can be employed as standalone catalysts. Manganese was deposited on DWCNTs, HFs and fullerenes C60/C70 by a thermal process. The electrocatalysts were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The electrochemical testing was carried out by plotting the E/V polarization curve. The polarization curves of the electrodes composed of pristine DWCNTs showed the lowest overpotentials.

  1. Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

    Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

    2000-01-01

    The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

  2. Naming polyhedra by general face-spirals - theory and applications to fullerenes and other polyhedral molecules

    Wirz, Lukas; Schwerdtfeger, Peter; Avery, James Emil

    2018-01-01

    We present a general face-spiral algorithm for cubic polyhedral graphs (including fullerenes and fulleroids), and extend it to the full class of all polyhedral graphs by way of the leapfrog transform. This yields compact canonical representations of polyhedra with a simple and intuitive geometrical...... polyhedral molecules, and an especially compact form for the special class of fullerenes. A unique numbering of vertices is obtained as a byproduct of the spiral algorithm. This is required to denote modifications of the parent cage in IUPAC naming schemes. Similarly, the symmetry group of the molecule can...... be found together with the canonical general spiral at negligible cost. The algorithm is fully compatible with the classical spiral algorithm developed by Manolopoulos for fullerenes, i. e., classical spirals are accepted as input, and spiralable graphs lead to identical output. We prove that the algorithm...

  3. Single-size thermometric measurements on a size distribution of neutral fullerenes.

    Cauchy, C; Bakker, J M; Huismans, Y; Rouzée, A; Redlich, B; van der Meer, A F G; Bordas, C; Vrakking, M J J; Lépine, F

    2013-05-10

    We present measurements of the velocity distribution of electrons emitted from mass-selected neutral fullerenes, performed at the intracavity free electron laser FELICE. We make use of mass-specific vibrational resonances in the infrared domain to selectively heat up one out of a distribution of several fullerene species. Efficient energy redistribution leads to decay via thermionic emission. Time-resolved electron kinetic energy distributions measured give information on the decay rate of the selected fullerene. This method is generally applicable to all neutral species that exhibit thermionic emission and provides a unique tool to study the stability of mass-selected neutral clusters and molecules that are only available as part of a size distribution.

  4. A Molecular-Scale Understanding of Cohesion and Fracture in P3HT:Fullerene Blends

    Tummala, Naga Rajesh

    2015-04-21

    Quantifying cohesion and understanding fracture phenomena in thin-film electronic devices are necessary for improved materials design and processing criteria. For organic photovoltaics (OPVs), the cohesion of the photoactive layer portends its mechanical flexibility, reliability, and lifetime. Here, the molecular mechanism for the initiation of cohesive failure in bulk heterojunction (BHJ) OPV active layers derived from the semiconducting polymer poly-(3-hexylthiophene) [P3HT] and two mono-substituted fullerenes is examined experimentally and through molecular-dynamics simulations. The results detail how, under identical conditions, cohesion significantly changes due to minor variations in the fullerene adduct functionality, an important materials consideration that needs to be taken into account across fields where soluble fullerene derivatives are used.

  5. Organic solar cells based on anthracene-containing PPE–PPVs and non-fullerene acceptors

    Alam, Shahidul

    2018-04-13

    Lately, non-fullerene acceptors (NFAs) have received increasing attention for use in polymer-based bulk-heterojunction (BHJ) organic solar cells (OSCs), as improved photovoltaic performance compared to classical polymer–fullerene blends could be demonstrated. In this study, polymer solar cells based on a statistically substituted anthracene-containing poly(p-phenylene ethynylene)-alt-poly(p-phenylene vinylene)s (PPE–PPVs) copolymer (AnE-PVstat) as donor in combination with a number of different electron accepting materials were investigated. Strong photoluminescence quenching of the polymer donor indicates intimate intermixing of both materials. However, the photovoltaic performances were found to be poor compared to blends that use fullerene as acceptor. Time-delayed collection field (TDCF) measurements demonstrate: charge generation is field-independent, but bimolecular recombination processes limit the fill factor and thus the efficiency of devices.

  6. Photophysical and photochemical investigations of fullerene presence in amorphous hydrogenated carbon films

    Chen, J.Q.; Meeker, D.L. [The Physics Program, University of Texas at Dallas, Richardson, Texas 75083 (United States); Barashkov, N.N. [Department of Chemistry, University of Texas at Dallas, Richardson, Texas 75083 (United States)

    1997-07-01

    The plasma-enhanced chemical vapor deposition system was used to grow amorphous hydrogenated carbon films deposited on silicon substrates. Extracts of the films were obtained by treatment with boiling cyclohexane solvent. The absorption spectra of these extracts showed the existence of small quantities of fullerenes. Using the molar extinction coefficient of C{sub 60} in cyclohexane, the mass of fullerenes in the films was estimated to be about 0.019 mg. C{sub 60} induced fluorescence quenching of anthracene was also observed. Additional evidence for the presence of fullerenes was based on their capability to accelerate the photo-oxidation of anthracene through the generation of singlet oxygen with a high quantum yield under ultraviolet irradiation. {copyright} {ital 1997 American Institute of Physics.}

  7. Photophysical and photochemical investigations of fullerene presence in amorphous hydrogenated carbon films

    Chen, J. Q.; Meeker, D. L.; Barashkov, N. N.

    1997-07-01

    The plasma-enhanced chemical vapor deposition system was used to grow amorphous hydrogenated carbon films deposited on silicon substrates. Extracts of the films were obtained by treatment with boiling cyclohexane solvent. The absorption spectra of these extracts showed the existence of small quantities of fullerenes. Using the molar extinction coefficient of C60 in cyclohexane, the mass of fullerenes in the films was estimated to be about 0.019 mg. C60 induced fluorescence quenching of anthracene was also observed. Additional evidence for the presence of fullerenes was based on their capability to accelerate the photo-oxidation of anthracene through the generation of singlet oxygen with a high quantum yield under ultraviolet irradiation.

  8. Analysis of Co-Tunneling Current in Fullerene Single-Electron Transistor

    KhademHosseini, Vahideh; Dideban, Daryoosh; Ahmadi, MohammadTaghi; Ismail, Razali

    2018-05-01

    Single-electron transistors (SETs) are nano devices which can be used in low-power electronic systems. They operate based on coulomb blockade effect. This phenomenon controls single-electron tunneling and it switches the current in SET. On the other hand, co-tunneling process increases leakage current, so it reduces main current and reliability of SET. Due to co-tunneling phenomenon, main characteristics of fullerene SET with multiple islands are modelled in this research. Its performance is compared with silicon SET and consequently, research result reports that fullerene SET has lower leakage current and higher reliability than silicon counterpart. Based on the presented model, lower co-tunneling current is achieved by selection of fullerene as SET island material which leads to smaller value of the leakage current. Moreover, island length and the number of islands can affect on co-tunneling and then they tune the current flow in SET.

  9. Organic solar cells based on anthracene-containing PPE–PPVs and non-fullerene acceptors

    Alam, Shahidul; Meitzner, Rico; Nwadiaru, Ogechi V.; Friebe, Christian; Cann, Jonathan; Ahner, Johannes; Ulbricht, Christoph; Kan, Zhipeng; Hö ppener, Stephanie; Hager, Martin D.; Egbe, Daniel A. M.; Welch, Gregory C.; Laquai, Fré dé ric; Schubert, Ulrich S.; Hoppe, Harald

    2018-01-01

    Lately, non-fullerene acceptors (NFAs) have received increasing attention for use in polymer-based bulk-heterojunction (BHJ) organic solar cells (OSCs), as improved photovoltaic performance compared to classical polymer–fullerene blends could be demonstrated. In this study, polymer solar cells based on a statistically substituted anthracene-containing poly(p-phenylene ethynylene)-alt-poly(p-phenylene vinylene)s (PPE–PPVs) copolymer (AnE-PVstat) as donor in combination with a number of different electron accepting materials were investigated. Strong photoluminescence quenching of the polymer donor indicates intimate intermixing of both materials. However, the photovoltaic performances were found to be poor compared to blends that use fullerene as acceptor. Time-delayed collection field (TDCF) measurements demonstrate: charge generation is field-independent, but bimolecular recombination processes limit the fill factor and thus the efficiency of devices.

  10. Polaron pair mediated triplet generation in polymer/fullerene blends

    Dimitrov, Stoichko D.; Wheeler, Scot; Niedzialek, Dorota; Schroeder, Bob C.; Utzat, Hendrik; Frost, Jarvist M.; Yao, Jizhong; Gillett, Alexander; Tuladhar, Pabitra S.; McCulloch, Iain; Nelson, Jenny; Durrant, James R.

    2015-01-01

    Electron spin is a key consideration for the function of organic semiconductors in light-emitting diodes and solar cells, as well as spintronic applications relying on organic magnetoresistance. A mechanism for triplet excited state generation in such systems is by recombination of electron-hole pairs. However, the exact charge recombination mechanism, whether geminate or nongeminate and whether it involves spin-state mixing is not well understood. In this work, the dynamics of free charge separation competing with recombination to polymer triplet states is studied in two closely related polymer-fullerene blends with differing polymer fluorination and photovoltaic performance. Using time-resolved laser spectroscopic techniques and quantum chemical calculations, we show that lower charge separation in the fluorinated system is associated with the formation of bound electron-hole pairs, which undergo spin-state mixing on the nanosecond timescale and subsequent geminate recombination to triplet excitons. We find that these bound electron-hole pairs can be dissociated by electric fields.

  11. Fullerenes, carbon nanotubes, and graphene for molecular electronics.

    Pinzón, Julio R; Villalta-Cerdas, Adrián; Echegoyen, Luis

    2012-01-01

    With the constant growing complexity of electronic devices, the top-down approach used with silicon based technology is facing both technological and physical challenges. Carbon based nanomaterials are good candidates to be used in the construction of electronic circuitry using a bottom-up approach, because they have semiconductor properties and dimensions within the required physical limit to establish electrical connections. The unique electronic properties of fullerenes for example, have allowed the construction of molecular rectifiers and transistors that can operate with more than two logical states. Carbon nanotubes have shown their potential to be used in the construction of molecular wires and FET transistors that can operate in the THz frequency range. On the other hand, graphene is not only the most promising material for replacing ITO in the construction of transparent electrodes but it has also shown quantum Hall effect and conductance properties that depend on the edges or chemical doping. The purpose of this review is to present recent developments on the utilization carbon nanomaterials in molecular electronics.

  12. Functionalization of [60] fullerene with butadienes: A DFT study

    Beheshtian, Javad; Peyghan, Ali Ahmadi; Bagheri, Zargham

    2012-01-01

    Highlights: ► Reaction of C 60 with 2,3-dimethylbutadiene (DMB) is theoretically investigated. ► The HOMO of DMB interacts with the LUMO of C 60 via a Diels Alder reaction. ► Work function of C 60 is decreased by increasing the number of DMB molecules. ► The reaction may facilitate the field electron emission from C 60 surface. - Abstract: We have performed a density functional study on the reaction of C 60 fullerene with one to six 2,3-dimethylbutadiene (DMB) molecule(s) which has previously been investigated by experimental researchers. Based on the obtained results, it has been found that (1) the reaction is regioselective, so that the DMB molecule prefers to be adsorbed atop a C-C bond which is shared between two hexagonal rings of C 60 (in good agreement with the experimental results) with reaction energy of −0.98 eV; (2) the HOMO of DMB interacts with the LUMO of C 60 via a Diels Alder reaction; (3) the energy of reaction and work function of C 60 are decreased by increasing the number of adsorbed DMB molecules; (4) the HOMO–LUMO energy gap of C 60 is slightly changed upon the reaction; (5) the reaction reduces the potential barrier of the field electron emission of C 60 surface.

  13. Degradation of interface between boron subphthalocyanine chloride and fullerene

    Lo, Ming-Fai; Guan, Zhi-Qiang [Center of Super-Diamond and Advanced Films (COSDAF), Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); City University of Hong Kong Shenzhen Research Institute, Shenzhen (China); Chan, Chiu-Yee [Center of Super-Diamond and Advanced Films (COSDAF), Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); Ng, Tsz-Wai, E-mail: tszwaing@cityu.edu.hk [Center of Super-Diamond and Advanced Films (COSDAF), Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); City University of Hong Kong Shenzhen Research Institute, Shenzhen (China); Lee, Chun-Sing, E-mail: apcslee@cityu.edu.hk [Center of Super-Diamond and Advanced Films (COSDAF), Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); City University of Hong Kong Shenzhen Research Institute, Shenzhen (China)

    2015-10-01

    Highlights: • SubPc/C{sub 60} device shows a fast Voc decade upon operation. • The HOMO-LUMO offset at a SubPc/C60 heterojunction decreases from 1.66 to 1.45 eV upon aging in UHV. • It is caused by internal deterioration of the donor/acceptor interface. - Abstract: Apart from external environmental factors, we herein show with ultra-violet photoemission spectroscopy (UPS) studies that degradation in organic photovoltaic (OPV) devices can also be caused by internal deterioration of the donor/acceptor interface. Albeit with impressive initial open circuit voltage (Voc), boron subphthalocyanine chloride (SubPc)/fullerene (C{sub 60}) device shows a fast Voc decade upon operation. UPS results show that the energy offset between the highest occupied molecular orbit (HOMO) of SubPc and the lowest unoccupied molecular orbit (LUMO) of C{sub 60} is reduced from 1.66 to 1.45 eV after aging in ultra-high vacuum (UHV) condition. This result is consistent with the change in built-in voltage of the corresponding device upon operation. The related charge interaction and degradation mechanism in the SubPc/C{sub 60} device are discussed.

  14. Preparation and biodistribution of radiolabeled fullerene C60 nanocrystals

    Nikolic, Nadezda; Vranjes-Duric, Sanja; Jankovic, Drina; Dokic, Divna; Mirkovic, Marija; Bibic, Natasa; Trajkovic, Vladimir

    2009-01-01

    The present study describes for the first time a procedure for the radiolabeling of fullerene (C 60 ) nanocrystals (nanoC 60 ) with Na 125 I, as well as the biodistribution of radiolabeled nanoC 60 ( 125 I-nanoC 60 ). The solvent exchange method with tetrahydrofuran was used to make colloidal water suspensions of radiolabeled nanoC 60 particles. The radiolabeling procedure with the addition of Na 125 I to tetrahydrofuran during dissolution of C 60 gave a higher radiochemical yield of radiolabeled nanoC 60 particles in comparison to the second option, in which Na 125 I was added after C 60 was dissolved. Using photon correlation spectroscopy and transmission electron microscopy, 125 I-nanoC 60 particles were found to have a crystalline structure and a mean diameter of 200-250 nm. The 125 I-nanoC 60 had a particularly high affinity for human serum albumin, displaying 95% binding efficiency after 1 h. Biodistribution studies of 125 I-nanoC 60 in rats indicated significant differences in tissue accumulation of 125 I-nanoC 60 and the radioactive tracer Na 125 I. The higher accumulation of radiolabeled nanoC 60 was observed in liver and spleen, while accumulation in thyroid, stomach, lungs and intestines was significantly lower in comparison to Na 125 I. In addition to being useful for testing the biological distribution of nanoC 60 , the described radiolabeling procedure might have possible applications in cancer radiotherapy.

  15. Degradation of interface between boron subphthalocyanine chloride and fullerene

    Lo, Ming-Fai; Guan, Zhi-Qiang; Chan, Chiu-Yee; Ng, Tsz-Wai; Lee, Chun-Sing

    2015-01-01

    Highlights: • SubPc/C 60 device shows a fast Voc decade upon operation. • The HOMO-LUMO offset at a SubPc/C60 heterojunction decreases from 1.66 to 1.45 eV upon aging in UHV. • It is caused by internal deterioration of the donor/acceptor interface. - Abstract: Apart from external environmental factors, we herein show with ultra-violet photoemission spectroscopy (UPS) studies that degradation in organic photovoltaic (OPV) devices can also be caused by internal deterioration of the donor/acceptor interface. Albeit with impressive initial open circuit voltage (Voc), boron subphthalocyanine chloride (SubPc)/fullerene (C 60 ) device shows a fast Voc decade upon operation. UPS results show that the energy offset between the highest occupied molecular orbit (HOMO) of SubPc and the lowest unoccupied molecular orbit (LUMO) of C 60 is reduced from 1.66 to 1.45 eV after aging in ultra-high vacuum (UHV) condition. This result is consistent with the change in built-in voltage of the corresponding device upon operation. The related charge interaction and degradation mechanism in the SubPc/C 60 device are discussed.

  16. Analysis of TOF-SIMS spectra from fullerene compounds

    Kato, N. [Department of Materials and Life Science, Faculty of Science and Technology, Seikei University, 3-3-1, Kichijoji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)], E-mail: kato-nobuhiko@st.seikei.ac.jp; Yamashita, Y. [Department of Materials and Life Science, Faculty of Science and Technology, Seikei University, 3-3-1, Kichijoji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan); Iida, S.; Sanada, N. [ULVAC-PHI, Inc., 370 Enzo, Chigasaki, Kanagawa 253-0084 (Japan); Kudo, M. [Department of Materials and Life Science, Faculty of Science and Technology, Seikei University, 3-3-1, Kichijoji-Kitamachi, Musashino-shi, Tokyo 180-8633 (Japan)

    2008-12-15

    We analyzed TOF-SIMS spectra obtained from three different size of fullerenes (C{sub 60}, C{sub 70} and C{sub 84}) by using Ga{sup +}, Au{sup +} and Au{sub 3}{sup +} primary ion beams and investigated the fragmentation patterns, the enhancement of secondary ion yields and the restraint of fragmentation by using cluster primary ion beams compared with monoatomic primary ion beams. In the TOS-SIMS spectra from C{sub 70} and C{sub 84}, it was found that a fragment ion, identified as C{sub 60}{sup +} (m/z = 720), showed a relatively high intensity compared with that of other fragment ions related to C{sub 2} depletion. It was also found that the Au{sub 3}{sup +} bombardment caused intensity enhancement of intact molecules (C{sub 60}{sup +}, C{sub 70}{sup +} and C{sub 84}{sup +}) and restrained the fragmentation due to C{sub 2} depletion.

  17. Polaron pair mediated triplet generation in polymer/fullerene blends

    Dimitrov, Stoichko D.

    2015-03-04

    Electron spin is a key consideration for the function of organic semiconductors in light-emitting diodes and solar cells, as well as spintronic applications relying on organic magnetoresistance. A mechanism for triplet excited state generation in such systems is by recombination of electron-hole pairs. However, the exact charge recombination mechanism, whether geminate or nongeminate and whether it involves spin-state mixing is not well understood. In this work, the dynamics of free charge separation competing with recombination to polymer triplet states is studied in two closely related polymer-fullerene blends with differing polymer fluorination and photovoltaic performance. Using time-resolved laser spectroscopic techniques and quantum chemical calculations, we show that lower charge separation in the fluorinated system is associated with the formation of bound electron-hole pairs, which undergo spin-state mixing on the nanosecond timescale and subsequent geminate recombination to triplet excitons. We find that these bound electron-hole pairs can be dissociated by electric fields.

  18. Machine protection systems

    Macpherson, A L

    2010-01-01

    A summary of the Machine Protection System of the LHC is given, with particular attention given to the outstanding issues to be addressed, rather than the successes of the machine protection system from the 2009 run. In particular, the issues of Safe Machine Parameter system, collimation and beam cleaning, the beam dump system and abort gap cleaning, injection and dump protection, and the overall machine protection program for the upcoming run are summarised.

  19. Atomic nitrogen encapsulated in fullerenes: realization of a chemical Faraday cage

    Lips, K.

    2000-01-01

    Fullerenes, C 60 and C 70 , are ideal containers for atomic nitrogen. We will show by electron paramagnetic resonance (EPR) experiments that nitrogen in C 60 keeps its atomic ground state configuration and resides in the center of the cage. This is the first time that atomic nitrogen is stabilized at ambient conditions. The inert shell of the fullerene protects the highly reactive nitrogen from undergoing chemical reactions with the surroundings. The fullerene cage is the chemical analogue of the Faraday cage in case of electrical fields, i.e. it shields off the chemical reactivity. As for the free nitrogen atom, the spins of the three p-electrons of nitrogen in C 60 are parallel (S = 3/2) and the atom has spherical symmetry. Due to the center position of nitrogen in C 60 , extremely sharp EPR lines are observed. This reflects the absence of a strong host-guest interaction and shows that the individuality of nitrogen in the fullerenes is preserved. Further evidence for the almost interaction-free suspension of nitrogen in the fullerene cages is provided by g-factor measurements. These investigations show that magnetic shielding of the host molecules can account for the observed differences between N rate at C 60 and N rate at C 70 . The fullerene cage can be chemically modified without destroying the endohedral complex. The chemical modifications change the symmetry of the molecule which is observed through an additional fine structure in the EPR spectrum. Influences of the modifications on the stability of N rate at C 60 will be discussed. (orig.)

  20. Dictionary of machine terms

    1990-06-01

    This book has introduction of dictionary of machine terms, and a compilation committee and introductory remarks. It gives descriptions of the machine terms in alphabetical order from a to Z and also includes abbreviation of machine terms and symbol table, way to read mathematical symbols and abbreviation and terms of drawings.