Laser-Cooled Ions and Atoms in a Storage Ring

Energy Technology Data Exchange (ETDEWEB)

Kleinert, J.; Hannemann, S.; Eike, B.; Eisenbarth, U.; Grieser, M.; Grimm, R.; Gwinner, G.; Karpuk, S.; Saathoff, G.; Schramm, U.; Schwalm, D.; Weidemueller, M., E-mail: m.weidemueller@mpi-hd.mpg.de [Max-Planck-Insitut fuer Kernphysik (Germany)

2003-03-15

We review recent experiments at the Heidelberg Test Storage Ring which apply advanced laser cooling techniques to stored ion beams. Very high phase-space densities are achieved by three-dimensional laser cooling of a coasting {sup 9}Be{sup +} beam at 7.3 MeV. Laser-cooled, trapped Cs atoms are used as an ultracold precision target for the study of ion-atom interactions with a 74 MeV beam of {sup 12}C{sup 6+} ions.

Examining the Effects of Different Ring Configurations and Equatorial Fluorine Atom Positions on CO 2 Sorption in [Cu(bpy) 2 SiF 6

KAUST Repository

Forrest, Katherine A.

2013-10-02

Simulations of CO2 sorption were performed in a metal-organic material (MOM) that is part of a "SIFSIX" family of compounds that has remarkable carbon dioxide capture and separation properties. The MOM considered here has the formula [Cu(bpy)2SiF6] (bpy = 4,4′-bipyridine). This hydrophobic MOM is both water-stable and CO 2-specific with significant sorption capacity under ambient conditions. The crystal structure reveals bpy rings and equatorial fluorine atoms in multiple possible orientations; the static disorder has been modeled based on single-crystal X-ray diffraction data revealing several possible relatives of atoms in the crystal structure. With regards to the bpy rings, the structure can be interpreted as two pyridyl rings with coplanar configurations within a unit cell (configuration 1), a twisted bpy ring conformation in which orthogonal pyridyl rings have C4 symmetry about the Cu2+ ion (configuration 2), and a twisted bpy ring conformation in which the two orthogonal pyridyl rings are facing one another within a unit cell (configuration 3). Further, the equatorial fluorine atoms can be positioned such that all atoms are eclipsed with the square grid (position A), oriented at a 21.3 angle with respect to the square grid (position B), and oriented at a 45 angle with respect to the square grid (position C). It was observed that experimental data for CO2 sorption were only consistent with sorption into configurations 1 and 3 with any of the possible equatorial fluorine atom positions at ambient temperatures, although simulations using position A produced slightly higher uptakes in these bpy ring configurations. It is demonstrated that the orientation of the bpy rings in configurations 1 and 3 allows more space for the sorbate molecules and thus promotes favorable MOM-sorbate interactions, resulting in isotherms in line with the experimental results. The results from this study suggests that [Cu(bpy)2SiF 6] in either configuration 1 or 3 with CO2 present in

Carbon and nitrogen isotope variations in tree-rings as records of perturbations in regional carbon and nitrogen cycles.

Science.gov (United States)

Bukata, Andrew R; Kyser, T Kurtis

2007-02-15

Increasing anthropogenic pollution from urban centers and fossil fuel combustion can impact the carbon and nitrogen cycles in forests. To assess the impact of twentieth century anthropogenic pollution on forested system carbon and nitrogen cycles, variations in the carbon and nitrogen isotopic compositions of tree-rings were measured. Individual annual growth rings in trees from six sites across Ontario and one in New Brunswick, Canada were used to develop site chronologies of tree-ring delta 15N and delta 13C values. Tree-ring 615N values were approximately 0.5% per hundred higher and correlated with contemporaneous foliar samples from the same tree, but not with delta 15N values of soil samples. Temporal trends in carbon and nitrogen isotopic compositions of these tree-rings are consistent with increasing anthropogenic influence on both the carbon and nitrogen cycles since 1945. Tree-ring delta 13C values and delta 15N values are correlated at both remote and urban-proximal sites, with delta 15N values decreasing since 1945 and converging on 1% per hundred at urban-proximal sites and decreasing but not converging on a single delta 15N value in remote sites. These results indicate that temporal trends in tree-ring nitrogen and carbon isotopic compositions record the regional extent of pollution.

Optical trapping of cold neutral atoms using a two-color evanescent light field around a carbon nanotube

International Nuclear Information System (INIS)

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

2014-01-01

We suggest a new schema of trapping cold atoms using a two-color evanescent light field around a carbon nanotube. The two light fields circularly polarized sending through a carbon nanotube generates an evanescent wave around this nanotube. By evanescent effect, the wave decays away from the nanotube producing a set of trapping minima of the total potential in the transverse plane as a ring around the nanotube. This schema allows capture of atoms to a cylindrical shell around the nanotube. We consider some possible boundary conditions leading to the non-trivial bound state solution. Our result will be compared to some recent trapping models and our previous trapping models.

Hot atom chemistry of carbon

International Nuclear Information System (INIS)

Wolf, A.P.

1975-01-01

The chemistry of energetic carbon atoms is discussed. The experimental approach to studies that have been carried out is described and the mechanistic framework of hot carbon atom reactions is considered in some detail. Finally, the direction that future work might take is examined, including the relationship of experimental to theoretical work. (author)

Plasmon-induced transparency in ring-bar meta-atom

Directory of Open Access Journals (Sweden)

Wan-Xia Huang

2018-03-01

Full Text Available We introduce an approach for constructing a scalable metamaterial structure, which is composed of a ring and a bar in a unit cell, and supports singular plasmon-induced transparency. The composite multilayered structure consists of coupled meta-atom with bright modes and dark modes interacting through the introduction of structural asymmetry, which involves the displacement of the bar from the center of the ring. The splitting and merging of the absorption peaks is observed with the change in asymmetric degree. In addition, coupled-mode theory with a two-mode and two-port model is introduced to explain the observed novel spectral feature. The results provide a reference for further application to optoelectronic devices.

The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies.

Science.gov (United States)

Hawelek, L; Brodka, A; Dore, J C; Honkimaki, V; Burian, A

2013-11-13

The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp(3) defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

Atomic cranks and levers control sugar ring conformations

International Nuclear Information System (INIS)

Zhang Qingmin; Lee, Gwangrog; Marszalek, Piotr E

2005-01-01

In this paper we review the conformational analysis of sugar rings placed under tension during mechanical manipulations of single polysaccharide molecules with the atomic force microscope and during steered molecular dynamics simulations. We examine the role of various chemical bonds and linkages between sugar rings in inhibiting or promoting their conformational transitions by means of external forces. Small differences in the orientation of one chemical bond on the sugar ring can produce significantly different mechanical properties at the polymer level as exemplified by two polysaccharides: cellulose, composed of β-1→4-linked D-glucose, and amylose, composed of α-1→4-linked D-glucose. In contrast to β-glucose rings, which are mechanically stable and produce simple entropic elasticity of the chain, α-glucose rings flip under tension from their chair to a boat-like structure and these transitions produce deviations of amylose elasticity from the freely jointed chain model. We also examine the deformation of two mechanically complementary 1→6-linked polysaccharides: pustulan, a β-1→6-linked glucan, and dextran, a α-1→6-linked glucan. Forced rotations about the C 5 -C 6 bonds govern the elasticity of pustulan, and complex conformational transitions that involve simultaneous C 5 -C 6 rotations and chair-boat transitions govern the elasticity of dextran. Finally, we discuss the likelihood of various conformational transitions in sugar rings in biological settings and speculate on their significance

The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

KAUST Repository

Wang, N

2014-05-16

The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures were simulated by varying the deposition energy of carbon atoms in the range of 1-120 eV. Intrinsic film characteristics (e.g. density and internal stress) were determined after the system reached equilibrium. Short- and intermediate-range carbon atom ordering is examined in the context of atomic hybridization and ring connectivity simulation results. It is shown that relatively high deposition energy (i.e., 80 eV) yields a multilayer film structure consisting of an intermixing layer, bulk film and surface layer, consistent with the classical subplantation model. The highest film density (3.3 g cm-3), sp3 fraction (∼43%), and intermediate-range carbon atom ordering correspond to a deposition energy of ∼80 eV, which is in good agreement with experimental findings. © 2014 IOP Publishing Ltd.

Virtual Exploration of the Ring Systems Chemical Universe.

Science.gov (United States)

Visini, Ricardo; Arús-Pous, Josep; Awale, Mahendra; Reymond, Jean-Louis

2017-11-27

Here, we explore the chemical space of all virtually possible organic molecules focusing on ring systems, which represent the cyclic cores of organic molecules obtained by removing all acyclic bonds and converting all remaining atoms to carbon. This approach circumvents the combinatorial explosion encountered when enumerating the molecules themselves. We report the chemical universe database GDB4c containing 916 130 ring systems up to four saturated or aromatic rings and maximum ring size of 14 atoms and GDB4c3D containing the corresponding 6 555 929 stereoisomers. Almost all (98.6%) of these ring systems are unknown and represent chiral 3D-shaped macrocycles containing small rings and quaternary centers reminiscent of polycyclic natural products. We envision that GDB4c can serve to select new ring systems from which to design analogs of such natural products. The database is available for download at www.gdb.unibe.ch together with interactive visualization and search tools as a resource for molecular design.

Carbon-14 dating of tree rings for tritium measurement

International Nuclear Information System (INIS)

Yamada, Y.; Yasuike, K.; Kiriyama, N.; Komura, K.; Ueno, K.

1998-01-01

The carbon-14 concentration in tree-ring cellulose of an 80-year-old pine tree which has been used for tritium measurement was measured during the 1941-1987 period. This was done to determine the formation year of each tree ring in order to study the pathway of tritium uptake into the tree rings. In the 1941 to 1953 period, the δ 14 C value remained slightly lower than 0 per mille. It began to increase from 1954 to a small broad peak of 250 per mille between 1959 and 1961, followed by rapid increase to the highest value of approximately 800 per mille in 1964. Since 1964, it had been diminishing year by year to reach a level of 190 per mille in 1987. The two peak years coincided with those in the known carbon-14 patterns in tree rings. However, there existed a difference in the amplitude of the δ 14 C values during the period of 1963-1967. (author)

ATOMIC CARBON IN THE UPPER ATMOSPHERE OF TITAN

International Nuclear Information System (INIS)

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

2010-01-01

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

A physically interpretable quantum-theoretic QSAR for some carbonic anhydrase inhibitors with diverse aromatic rings, obtained by a new QSAR procedure.

Science.gov (United States)

Clare, Brian W; Supuran, Claudiu T

2005-03-15

A QSAR based almost entirely on quantum theoretically calculated descriptors has been developed for a large and heterogeneous group of aromatic and heteroaromatic carbonic anhydrase inhibitors, using orbital energies, nodal angles, atomic charges, and some other intuitively appealing descriptors. Most calculations have been done at the B3LYP/6-31G* level of theory. For the first time we have treated five-membered rings by the same means that we have used for benzene rings in the past. Our flip regression technique has been expanded to encompass automatic variable selection. The statistical quality of the results, while not equal to those we have had with benzene derivatives, is very good considering the noncongeneric nature of the compounds. The most significant correlation was with charge on the atoms of the sulfonamide group, followed by the nodal orientation and the solvation energy calculated by COSMO and the charge polarization of the molecule calculated as the mean absolute Mulliken charge over all atoms.

Three dimensional atom probe imaging of GaAsSb quantum rings.

Science.gov (United States)

Beltrán, A M; Marquis, E A; Taboada, A G; Ripalda, J M; García, J M; Molina, S I

2011-07-01

Unambiguous evidence of ring-shaped self-assembled GaSb nanostructures grown by molecular beam epitaxy is presented on the basis of atom-probe tomography reconstructions and dark field transmission electron microscopy imaging. The GaAs capping process causes a strong segregation of Sb out of the center of GaSb quantum dots, leading to the self-assembled GaAs(x)Sb(1-x) quantum rings of 20-30 nm in diameter with x ∼ 0.33. Copyright © 2011 Elsevier B.V. All rights reserved.

Quantifying Carbon-14 for Biology Using Cavity Ring-Down Spectroscopy

OpenAIRE

McCartt, A. Daniel; Ognibene, Ted J.; Bench, Graham; Turteltaub, Kenneth W.

2016-01-01

A cavity ring-down spectroscopy (CRDS) instrument was developed using mature, robust hardware for the measurement of carbon-14 in biological studies. The system was characterized using carbon-14 elevated glucose samples and returned a linear response up to 387 times contemporary carbon-14 concentrations. Carbon-14 free and contemporary carbon-14 samples with varying carbon-13 concentrations were used to assess the method detection limit of approximately one-third contemporary carbon-14 levels...

INDIUM AND ZINC MEDIATED ONE-ATOM CARBOCYCLE ENLARGEMENT IN WATER. (R822668)

Science.gov (United States)

AbstractSix-, seven-, eight-membered rings are enlarged by one carbon-atom into seven-, eight- and nine-membered ring derivatives respectively, via indium or zinc mediated reactions in aqueous medium.

Discovery of carbon nanotubes. Sara ni carbon nanotube e

Energy Technology Data Exchange (ETDEWEB)

Iijima, S

1994-01-20

This paper describes the following matters on carbon nanotubes (CNt): CNt is discovered in carbon deposits generated in the tip of a negative electrode during DC arc discharge between carbon electrodes. CNt has a construction in which cylinders made of normally several layers are superposed, based on cylindrical crystals in a single layer with six-member rings of carbon atoms laid out. Spiral arrangement of carbon six-member rings has been discovered in the single-layered crystals. Five-member rings exist in a location where the CNt tip is closed, and seven-member rings in a location where the CNt presents a saddle-like curve, without exceptions. It is introduced theoretically that the electronic structure of the single-layered CNt depends on the cylinder diameter and spiral pitch. Replacing part of the carbon negative electrode with iron, and vaporizing iron and carbon simultaneously through arc discharge can result in a single-layered CNt with a diameter of 1 nm. Heating the CNt deposited with metallic lead in an oxygen atmosphere can form CNt containing lead compounds. 19 refs., 9 figs.

Investigation on single carbon atom transporting through the single-walled carbon nanotube by MD simulation

International Nuclear Information System (INIS)

Ding Yinfeng; Zhang Zhibin; Ke Xuezhi; Zhu Zhiyuan; Zhu Dezhang; Wang Zhenxia; Xu Hongjie

2005-01-01

The single carbon atom transporting through the single-walled carbon nanotube has been studied by molecular-dynamics (MD) simulation. We got different trajectories of the carbon atom by changing the input parameters. The simulation results indicate that the single carbon atom with low energy can transport through the carbon nanotube under some input conditions and result in different trajectories being straight line or 'rosette' or circular. (authors)

An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

International Nuclear Information System (INIS)

Li, Yingfeng; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Trevor, Mwenya; Yu, Yangxin

2013-01-01

By density functional theory (DFT) calculations, the early stages of the growth of graphene on copper (1 1 1) surface are investigated. At the very first time of graphene growth, the carbon atom sinks into subsurface. As more carbon atoms are adsorbed nearby the site, the sunken carbon atom will spontaneously form a dimer with one of the newly adsorbed carbon atoms, and the formed dimer will up-float on the top of the surface. We emphasize the role of the co-operative relaxation of the co-adsorbed carbon atoms in facilitating the sinking and up-floating of carbon atoms. In detail: when two carbon atoms are co-adsorbed, their co-operative relaxation will result in different carbon–copper interactions for the co-adsorbed carbon atoms. This difference facilitates the sinking of a single carbon atom into the subsurface. As a third carbon atom is co-adsorbed nearby, it draws the sunken carbon atom on top of the surface, forming a dimer. Co-operative relaxations of the surface involving all adsorbed carbon atoms and their copper neighbors facilitate these sinking and up-floating processes. This investigation is helpful for the deeper understanding of graphene synthesis and the choosing of optimal carbon sources or process.

Dating of dipterocarp tree rings: establishing a record of carbon cycling and climatic change in the tropics

CSIR Research Space (South Africa)

Robertson, I

2004-10-01

Full Text Available , Fuls A, Visser A. 2002. Accurate dating with radiocarbon from the atom bomb tests. South African Journal of Science 98: 437–438. Walsh RPD. 1996. Drought frequency changes in Sabah and adjacent parts of northern Borneo since the late nineteenth... car- bon) for sample rings 158–159 (PTA 8641) was found to have two intercepts, with the bomb carbon curve corresponding to the years AD 1978� 1 or AD 1962� 1 (Table 1). Although it has been stated that samples from the modern plateau cannot...

A self-injected, diode-pumped, solid-state ring laser for laser cooling of Li atoms

Energy Technology Data Exchange (ETDEWEB)

Miake, Yudai; Mukaiyama, Takashi, E-mail: muka@ils.uec.ac.jp [Institute for Laser Science, University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585 (Japan); O’Hara, Kenneth M. [Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802-6300 (United States); Gensemer, Stephen [CSIRO Manufacturing Flagship, Lindfield, NSW 2070 (Australia)

2015-04-15

We have constructed a solid-state light source for experiments with laser cooled lithium atoms based on a Nd:Y V O{sub 4} ring laser with second-harmonic generation. Unidirectional lasing, an improved mode selection, and a high output power of the ring laser were achieved by weak coupling to an external cavity which contained the lossy elements required for single frequency operation. Continuous frequency tuning is accomplished by controlling two piezoelectric transducers (PZTs) in the internal and the external cavities simultaneously. The light source has been utilized to trap and cool fermionic lithium atoms into the quantum degenerate regime.

Chemical analysis of carbonates and carbonate rocks by atomic absorption analysis

Energy Technology Data Exchange (ETDEWEB)

Tardon, S

1981-01-01

Evaluates methods of determining chemical composition of rocks surrounding black coal seams. Carbonate rock samples were collected in the Ostrava-Karvina coal mines. Sampling methods are described. Determination of the following elements and compounds in carbonate rocks is discussed: calcium, magnesium, iron, manganese, barium, silicon, aluminium, titanium, sodium, potassium, sulfur trioxide, phosphorus pentoxide, water and carbon dioxide. Proportion of compounds insoluble in water in the investigated rocks is also determined. Most of the elements are determined by means of atomic absorption analysis. Phosphorus is also determined by atomic absorption analysis. Other compounds are determined gravimetrically. The described procedure permits weight of a rock sample to be reduced to 0.5 g without reducing analysis accuracy. The results of determining carbonate rock components by X-ray analysis and by chemical analysis are compared. Equipment used for atomic absorption analysis is characterized (the 503 Perkin-Elmer and the CF-4 Optica-Milano spectrophotometers). The analyzed method for determining carbonate rock permits more accurate classification of rocks surrounding coal seams and rock impurities in run-of-mine coal. (22 refs.) (In Czech)

First principles investigation of interaction between impurity atom (Si, Ge, Sn) and carbon atom in diamond-like carbon system

International Nuclear Information System (INIS)

Li, Xiaowei; Wang, Aiying; Lee, Kwang-Ryeol

2012-01-01

The interaction between impurity atom (Si, Ge, and Sn) and carbon atom in diamond-like carbon (DLC) system was investigated by the first principles simulation method based on the density functional theory. The tetrahedral configuration was selected as the calculation model for simplicity. When the bond angle varied in a range of 90°–130° from the equivalent state of 109.471°, the distortion energy and the electronic structures including charge density of the highest occupied molecular orbital (HOMO) and partial density of state (PDOS) in the different systems were calculated. The results showed that the addition of Si, Ge and Sn atom into amorphous carbon matrix significantly decreased the distortion energy of the system as the bond angles deviated from the equilibrium one. Further studies of the HOMO and PDOS indicated that the weak covalent bond between Si(Ge, Sn) and C atoms was formed with the decreased strength and directionality, which were influenced by the electronegative difference. These results implied that the electron transfer behavior at the junction of carbon nano-devices could be tailored by the impurity element, and the compressive stress in DLC films could be reduced by the incorporation of Si, Ge and Sn because of the formation of weaker covalent bonds. - Highlights: ►Distortion energy after bond angle distortion was decreased comparing with C-C unit. ►The weak covalent bond was formed between impurity atoms and corner carbon atoms. ►Observed electron transfer behavior affected the strength and directionality of bond. ►Reduction of strength and directionality of bond contributed to small energy change.

Electronic and transport properties of a carbon-atom chain in the core of semiconducting carbon nanotubes

International Nuclear Information System (INIS)

Chen Jiangwei; Yang Linfeng; Yang Huatong; Dong Jinming

2003-01-01

Using the tight-binding calculations, we have studied electronic and transport properties of the semiconducting single-walled carbon nanotubes (SSWNTs) doped by a chain of carbon-atoms, which can be well controlled by density of the encapsulated carbon atoms. When it is lower, weak coupling between the chain atoms and the tube produces flat bands near the Fermi level, which means a great possibility of superconductivity and ferromagnetism for the combined system. The weak coupling also leads to a significant conductance at the Fermi level, which is contributed by both of the tube and the encapsulated carbon-atom chain. Increasing density of the chain carbon atoms, the flat bands near the Fermi level disappear, and the current may be carried only by the carbon-atom chain, thus making the system become an ideal one-dimensional quantum wire with its conducting chain enclosed by a SWNT insulator

Reaction studies of hot silicon, germanium and carbon atoms

International Nuclear Information System (INIS)

Gaspar, P.P.

1990-01-01

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

Stepwise O-Atom Transfer in Heme-Based Tryptophan Dioxygenase: Role of Substrate Ammonium in Epoxide Ring Opening.

Science.gov (United States)

Shin, Inchul; Ambler, Brett R; Wherritt, Daniel; Griffith, Wendell P; Maldonado, Amanda C; Altman, Ryan A; Liu, Aimin

2018-03-28

Heme-based tryptophan dioxygenases are established immunosuppressive metalloproteins with significant biomedical interest. Here, we synthesized two mechanistic probes to specifically test if the α-amino group of the substrate directly participates in a critical step of the O atom transfer during catalysis in human tryptophan 2,3-dioxygenase (TDO). Substitution of the nitrogen atom of the substrate to a carbon (probe 1) or oxygen (probe 2) slowed the catalytic step following the first O atom transfer such that transferring the second O atom becomes less likely to occur, although the dioxygenated products were observed with both probes. A monooxygenated product was also produced from probe 2 in a significant quantity. Analysis of this new product by HPLC coupled UV-vis spectroscopy, high-resolution mass spectrometry, 1 H NMR, 13 C NMR, HSQC, HMBC, and infrared (IR) spectroscopies concluded that this monooxygenated product is a furoindoline compound derived from an unstable epoxyindole intermediate. These results prove that small molecules can manipulate the stepwise O atom transfer reaction of TDO and provide a showcase for a tunable mechanism by synthetic compounds. The product analysis results corroborate the presence of a substrate-based epoxyindole intermediate during catalysis and provide the first substantial experimental evidence for the involvement of the substrate α-amino group in the epoxide ring-opening step during catalysis. This combined synthetic, biochemical, and biophysical study establishes the catalytic role of the α-amino group of the substrate during the O atom transfer reactions and thus represents a substantial advance to the mechanistic comprehension of the heme-based tryptophan dioxygenases.

Highly conductive, transparent flexible films based on open rings of multi-walled carbon nanotubes

International Nuclear Information System (INIS)

Ko, Wen-Yin; Su, Jun-Wei; Guo, Chian-Hua; Fu, Shu-Juan; Hsu, Chuen-Yuan; Lin, Kuan-Jiuh

2011-01-01

Open rings of multi-walled carbon nanotubes were stacked to form porous networks on a poly(ethylene terephthalate) substrate to form a flexible conducting film (MWCNT-PET) with good electrical conductivity and transparency by a combination of ultrasonic atomization and spin-coating technique. To enhance the electric flexibility, we spin-coated a cast film of poly(vinyl alcohol) onto the MWCNT-PET substrate, which then underwent a thermo-compression process. Field-emission scanning electron microscopy of the cross-sectional morphology illustrates that the film has a robust network with a thickness of ∼ 175 nm, and it remarkably exhibits a sheet resistance of approximately 370 Ω/sq with ∼ 77% transmittance at 550 nm even after 500 bending cycles. This electrical conductivity is much superior to that of other MWCNT-based transparent flexible films.

Heat conduction in double-walled carbon nanotubes with intertube additional carbon atoms.

Science.gov (United States)

Cui, Liu; Feng, Yanhui; Tan, Peng; Zhang, Xinxin

2015-07-07

Heat conduction of double-walled carbon nanotubes (DWCNTs) with intertube additional carbon atoms was investigated for the first time using a molecular dynamics method. By analyzing the phonon vibrational density of states (VDOS), we revealed that the intertube additional atoms weak the heat conduction along the tube axis. Moreover, the phonon participation ratio (PR) demonstrates that the heat transfer in DWCNTs is dominated by low frequency modes. The added atoms cause the mode weight factor (MWF) of the outer tube to decrease and that of the inner tube to increase, which implies a lower thermal conductivity. The effects of temperature, tube length, and the number and distribution of added atoms were studied. Furthermore, an orthogonal array testing strategy was designed to identify the most important structural factor. It is indicated that the tendencies of thermal conductivity of DWCNTs with added atoms change with temperature and length are similar to bare ones. In addition, thermal conductivity decreases with the increasing number of added atoms, more evidently for atom addition concentrated at some cross-sections rather than uniform addition along the tube length. Simultaneously, the number of added atoms at each cross-section has a considerably more remarkable impact, compared to the tube length and the density of chosen cross-sections to add atoms.

Carbon nanotori as traps for atoms and ions

International Nuclear Information System (INIS)

Chan Yue; Cox, Barry J.; Hill, James M.

2012-01-01

Carbon nanotori surely represent an ideal location to trap both charged and uncharged atoms, since they are open, accessible and possess strong attractive energy. In this paper, we investigate the plausibility of carbon nanotori as atomic traps and we use the continuum approximation together with the Lennard-Jones potential to model the encapsulation of an atom or ion by a nanotorus. The critical geometric factors such as the minor and major radii, i.e. r and R of the nanotorus, for which the maximum interaction between the atom and the nanotorus occurs, are determined. For various atoms, assumed situated along the axis of the torus, the minimum potential energy between the atom and the nanotorus is calculated and compared, and shown to be approximately kηεσ 2 , where η is the uniform atomic density, ε and σ are the Lennard-Jones well depth and the van der Waals radius, respectively, and k is a universal non-dimensional constant with the approximate value -12.42. The results given in this paper might be used for future drug delivery and biosensing design.

Reactions of carbon atoms in pulsed molecular beams

Energy Technology Data Exchange (ETDEWEB)

Reisler, H. [Univ. of Southern California, Los Angeles (United States)

1993-12-01

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

Density functional calculations of hypothetical neutral hollow octahedral molecules with a 48-atom framework: Hydrides and oxides of boron, carbon, nitrogen, aluminum, and silicon

International Nuclear Information System (INIS)

LaViolette, Randall A.; Benson, Michael T.

2000-01-01

We computed via first-principles density functional theory calculations (employing both the local density and generalized gradient approximations) the dimensions, bond lengths and angles, binding energy, and HOMO-LUMO gap of the following hypothetical neutral hollow octahedral molecules: B 48 H 24 , C 48 H 48 , C 96 H 80 (formed by bonding two C 48 H 48 molecules), N 48 H 24 , Al 48 H 24 , and Si 48 H 48 ; B 24 O 24 , C 24 O 24 , N 24 O 24 , Al 24 O 24 , and Si 24 O 24 . Each molecule consists of a large hollow framework of six puckered eight-membered rings whose planes are either mutually perpendicular or parallel, so that each molecule possesses only eight- and nine-membered rings. The hydrides have their hydrogen atoms attached only to the two-atom bridging sites on the framework. The oxides have their oxygen atoms occupying exclusively the two-atom bridging sites of the framework alternating with the (B, C, N, Al, Si) atoms exclusively occupying the three-atom bridging sites. We also calculated the infrared spectra of the C 48 H 48 and the C 24 O 24 molecules. For the sake of comparison, we also examined the hypothetical octahedral C 48 fullerene cuboctohedron (possessing four-, six-, and eight-membered rings) studied by Dunlap and Taylor. The molecules based on carbon would be the most stable; those based on nitrogen would be the least stable, if at all. (c) 2000 American Institute of Physics

Anomalous I-V curve for mono-atomic carbon chains

International Nuclear Information System (INIS)

Song Bo; Fang Haiping; Sanvito, Stefano

2010-01-01

The electronic transport properties of mono-atomic carbon chains were studied theoretically using a combination of density functional theory and the non-equilibrium Green's functions method. The I-V curves for the chains composed of an even number of atoms and attached to gold electrodes through sulfur exhibit two plateaus where the current becomes bias independent. In contrast, when the number of carbon atoms in the chain is odd, the electric current simply increases monotonically with bias. This peculiar behavior is attributed to dimerization of the chains, directly resulting from their one-dimensional nature. The finding is expected to be helpful in designing molecular devices, such as carbon-chain-based transistors and sensors, for nanoscale and biological applications.

HISTRAP [Heavy Ion Storage Ring for Atomic Physics] vacuum test stand for pressures of 10-12 Torr

International Nuclear Information System (INIS)

Johnson, J.W.; Atkins, W.H.; Dowling, D.T.; McConnell, J.W.; Milner, W.T.; Olsen, D.K.

1988-01-01

HISTRAP, Heavy Ion Storage Ring for Atomic Physics, is a proposed synchrotron/cooler/storage ring accelerator optimized for advanced atomic physics research. The ring has a circumference of 46.8 m, a bore diameter of about 15 cm, and requires a vacuum of 10 -12 Torr in order to decelerate highly-charged very-heavy ions down to low energies. To be able to test components and procedures to achieve this pressure, a test stand approximately modeling one-sixteenth of the ring vacuum chamber has been built. The 3.5-m-long test stand has been fabricated from 10-cm-diameter components, with 316LN stainless steel flanges. Prior to assembly, these components were vacuum fired at 950/degree/C at a pressure of 10 -4 Torr. The test stand is bakeable in situ at 300/degree/C. Pumping is achieved with two 750-L/s titanium sublimator pumps and one 60-L/s ion pump. Pressure is measured with two extractor ion gauges and a 10 -14 PP RGA. The roughing for the test stand consists of cryosorption pumps followed by a cryopump. A pressure of 4 x 10 -12 Torr has been achieved. 7 refs., 5 figs

Cooperative ring exchange and quantum melting of vortex lattices in atomic Bose-Einstein condensates

International Nuclear Information System (INIS)

Ghosh, Tarun Kanti; Baskaran, G.

2004-01-01

Cooperative ring exchange is suggested as a mechanism of quantum melting of vortex lattices in a rapidly rotating quasi-two-dimensional atomic Bose-Einstein condensate (BEC). Using an approach pioneered by Kivelson et al. [Phys. Rev. Lett. 56, 873 (1986)] for the fractional quantized Hall effect, we calculate the condition for quantum melting instability by considering large-correlated ring exchanges in a two-dimensional Wigner crystal of vortices in a strong 'pseudomagnetic field' generated by the background superfluid Bose particles. BEC may be profitably used to address issues of quantum melting of a pristine Wigner solid devoid of complications of real solids

Density functional calculations of hypothetical neutral hollow octahedral molecules with a 48-atom framework: Hydrides and oxides of boron, carbon, nitrogen, aluminum, and silicon

Energy Technology Data Exchange (ETDEWEB)

LaViolette, Randall A. [Idaho National Engineering and Environmental Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-2208 (United States); Benson, Michael T. [Idaho National Engineering and Environmental Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-2208 (United States)

2000-06-01

We computed via first-principles density functional theory calculations (employing both the local density and generalized gradient approximations) the dimensions, bond lengths and angles, binding energy, and HOMO-LUMO gap of the following hypothetical neutral hollow octahedral molecules: B{sub 48}H{sub 24}, C{sub 48}H{sub 48}, C{sub 96}H{sub 80} (formed by bonding two C{sub 48}H{sub 48} molecules), N{sub 48}H{sub 24}, Al{sub 48}H{sub 24}, and Si{sub 48}H{sub 48}; B{sub 24}O{sub 24}, C{sub 24}O{sub 24}, N{sub 24}O{sub 24}, Al{sub 24}O{sub 24}, and Si{sub 24}O{sub 24}. Each molecule consists of a large hollow framework of six puckered eight-membered rings whose planes are either mutually perpendicular or parallel, so that each molecule possesses only eight- and nine-membered rings. The hydrides have their hydrogen atoms attached only to the two-atom bridging sites on the framework. The oxides have their oxygen atoms occupying exclusively the two-atom bridging sites of the framework alternating with the (B, C, N, Al, Si) atoms exclusively occupying the three-atom bridging sites. We also calculated the infrared spectra of the C{sub 48}H{sub 48} and the C{sub 24}O{sub 24} molecules. For the sake of comparison, we also examined the hypothetical octahedral C{sub 48} fullerene cuboctohedron (possessing four-, six-, and eight-membered rings) studied by Dunlap and Taylor. The molecules based on carbon would be the most stable; those based on nitrogen would be the least stable, if at all. (c) 2000 American Institute of Physics.

Impact parameter sensitive study of inner-shell atomic processes in the experimental storage ring

Science.gov (United States)

Gumberidze, A.; Kozhuharov, C.; Zhang, R. T.; Trotsenko, S.; Kozhedub, Y. S.; DuBois, R. D.; Beyer, H. F.; Blumenhagen, K.-H.; Brandau, C.; Bräuning-Demian, A.; Chen, W.; Forstner, O.; Gao, B.; Gassner, T.; Grisenti, R. E.; Hagmann, S.; Hillenbrand, P.-M.; Indelicato, P.; Kumar, A.; Lestinsky, M.; Litvinov, Yu. A.; Petridis, N.; Schury, D.; Spillmann, U.; Trageser, C.; Trassinelli, M.; Tu, X.; Stöhlker, Th.

2017-10-01

In this work, we present a pilot experiment in the experimental storage ring (ESR) at GSI devoted to impact parameter sensitive studies of inner shell atomic processes for low-energy (heavy-) ion-atom collisions. The experiment was performed with bare and He-like xenon ions (Xe54+, Xe52+) colliding with neutral xenon gas atoms, resulting in a symmetric collision system. This choice of the projectile charge states was made in order to compare the effect of a filled K-shell with the empty one. The projectile and target X-rays have been measured at different observation angles for all impact parameters as well as for the impact parameter range of ∼35-70 fm.

Coupling thermal atomic vapor to an integrated ring resonator

International Nuclear Information System (INIS)

Ritter, R; Kübler, H; Pfau, T; Löw, R; Gruhler, N; Pernice, W H P

2016-01-01

Strongly interacting atom–cavity systems within a network with many nodes constitute a possible realization for a quantum internet which allows for quantum communication and computation on the same platform. To implement such large-scale quantum networks, nanophotonic resonators are promising candidates because they can be scalably fabricated and interconnected with waveguides and optical fibers. By integrating arrays of ring resonators into a vapor cell we show that thermal rubidium atoms above room temperature can be coupled to photonic cavities as building blocks for chip-scale hybrid circuits. Although strong coupling is not yet achieved in this first realization, our approach provides a key step towards miniaturization and scalability of atom–cavity systems. (paper)

Carbon Dioxide Utilization by the Five-Membered Ring Products of Cyclometalation Reactions

Science.gov (United States)

Omae, Iwao

2016-01-01

In carbon dioxide utilization by cyclometalated five-membered ring products, the following compounds are used in four types of applications: 1. 2-Phenylpyrazole iridium compounds, pincer phosphine iridium compounds and 2-phenylimidazoline iridium compounds are used as catalysts for both formic acid production from CO2 and H2, and hydrogen production from the formic acid. This formic acid can be a useful agent for H2 production and storage for fuel cell electric vehicles. 2. Other chemicals, e.g., dimethyl carbonate, methane, methanol and CO, are produced with dimethylaminomethylphenyltin compounds, pincer phosphine iridium compounds, pincer phosphine nickel compound and ruthenium carbene compound or 2-phenylpyridine iridium compounds, and phenylbenzothiazole iridium compounds as the catalysts for the reactions with CO2. 3. The five-membered ring intermediates of cyclometalation reactions with the conventional substrates react with carbon dioxide to afford their many types of carboxylic acid derivatives. 4. Carbon dioxide is easily immobilized at room temperature with immobilizing agents such as pincer phosphine nickel compounds, pincer phosphine palladium compounds, pincer N,N-dimethylaminomethyltin compounds and tris(2-pyridylthio)methane zinc compounds. PMID:28503084

Growth and Destruction of PAH Molecules in Reactions with Carbon Atoms

Energy Technology Data Exchange (ETDEWEB)

Krasnokutski, Serge A.; Huisken, Friedrich; Jäger, Cornelia; Henning, Thomas [Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena, Helmholtzweg 3, D-07743 Jena (Germany)

2017-02-10

A very high abundance of atomic carbon in the interstellar medium (ISM), and the high reactivity of these species toward different hydrocarbon molecules including benzene, raise questions regarding the stability of polycyclic aromatic hydrocarbon (PAH) molecules in space. To test the efficiency of destruction of PAH molecules via reactions with atomic carbon, we performed a set of laboratory and computational studies of the reactions of naphthalene, anthracene, and coronene molecules with carbon atoms in the ground state. The reactions were investigated in liquid helium droplets at T = 0.37 K and by quantum chemical computations. Our studies suggest that all small and all large catacondensed PAHs react barrierlessly with atomic carbon, and therefore should be efficiently destroyed by such reactions in a broad temperature range. At the same time, large compact pericondensed PAHs should be more inert toward such a reaction. In addition, taking into account their higher photostability, much higher abundances of pericondensed PAHs should be expected in various astrophysical environments. The barrierless reactions between carbon atoms and small PAHs also suggest that, in the ISM, these reactions could lead to the bottom-up formation of PAH molecules.

Detection of gas atoms with carbon nanotubes

Science.gov (United States)

Arash, B.; Wang, Q.

2013-01-01

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

Synthesis and non-covalent functionalization of carbon nanotubes rings: new nanomaterials with lectin affinity

International Nuclear Information System (INIS)

Assali, Mohyeddin; Leal, Manuel Pernía; Khiar, Noureddine; Fernández, Inmaculada

2013-01-01

We present a mild and practical carbon nanotubes rings (CNRs) synthesis from non-covalent functionalized and water-soluble linear single-wall carbon nanotubes. The hemi-micellar–supramolecular self-organization of lactose-based glycolipid 1 on the ring surface, followed by photo-polymerization of the diacetylenic function triggered by UV light afforded the first water-soluble and biocompatible CNRs. The obtained donut-like nanoconstructs expose a high density of lactose moieties on their surface, and are able to engage specific interactions with Arachis hypogea lectin similar to glycoconjugates on the cell membrane. (paper)

K{sub 6} carbon: A metallic carbon allotrope in sp{sup 3} bonding networks

Energy Technology Data Exchange (ETDEWEB)

Niu, Chun-Yao; Wang, Xin-Quan; Wang, Jian-Tao, E-mail: wjt@aphy.iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

2014-02-07

We identify by first-principles calculations a new cubic carbon phase in I4{sub 1}32 (O{sup 8}) symmetry, named K{sub 6} carbon, which has a six atom primitive cell comprising sp{sup 3} hybridized C{sub 3} triangle rings. The structural stability is verified by phonon mode analysis. The calculated elastic constants show that the K{sub 6} carbon is a high ductile material with a density even lower than graphite. Electronic band and density of states calculations reveal that it is a metallic carbon allotrope with a high electronic density of states of ∼0.10 states/eV per atom at the Fermi level. These results broaden our understanding of the structural and electronic properties of carbon allotropes.

Atomic-scale structure of self-assembled In(Ga)As quantum rings in GaAs

NARCIS (Netherlands)

Offermans, P.; Koenraad, P.M.; Wolter, J.H.; Granados, D.; Garcia, J.M.; Fomin, V.; Gladilin, V.N.; Devreese, J.T.

2005-01-01

We present an atomic-scale analysis of the indium distribution of self-assembled In(Ga)As quantum rings (QRs) which are formed from InAs quantum dots by capping with a thin layer of GaAs and subsequent annealing. We find that the size and shape of QRs as observed by cross-sectional scanning

Concise copper-catalyzed synthesis of tricyclic biaryl ether-linked aza-heterocyclic ring systems.

Science.gov (United States)

Mestichelli, Paola; Scott, Matthew J; Galloway, Warren R J D; Selwyn, Jamie; Parker, Jeremy S; Spring, David R

2013-11-01

A new method for the synthesis of tricyclic biaryl ether-linked ring systems incorporating seven-, eight-, and nine-membered ring amines is presented. In the presence of catalytic quantities of copper(I), readily accessible acyclic precursors undergo an intramolecular carbon-oxygen bond-forming reaction facilitated by a "templating" chelating nitrogen atom. The methodology displays a broad substrate scope, is practical, and generates rare and biologically interesting tricyclic heteroaromatic products that are difficult to access by other means.

Generator of a dense atomic gas curtain (for use in Intersecting Storage Rings)

CERN Document Server

Zankel, K

1975-01-01

A supersonic beam source is described which continuously generates a gas curtain for the proton beam profile observation in the Intersecting Storage Rings at CERN. Its maximum intensity is 10/sup 20 / atoms/sr s. A commonly used theoretical model for the determination of the intensity downstream of the source is discussed. Some results about the condensation behaviour of sodium vapour on metallic substrate surfaces are reported. (8 refs).

Displacement per atom profile in carbon nanotube bulk material under gamma irradiation

International Nuclear Information System (INIS)

Leyva, A.; Pinnera, I.; Leyva, D.; Cruz, C.; Abreu, Y.

2011-01-01

Taking into account the physical properties and the displacement threshold energy values reported in literature for C atoms in single and multiple walled carbon nanotubes, the effective atomic displacement cross-section in carbon nanotube bulk materials exposed to the gamma rays were calculated. Then, using the mathematical simulation of photons and particles transport in the matter, energy fluxes distribution of electrons and positrons within the irradiated object were also calculated. Finally, considering both results, the atomic displacement damage profiles inside the analyzed carbon nanotube bulk materials were determined. (Author)

Carbon-Ring Microelectrode Arrays for Electrochemical Imaging of Single Cell Exocytosis: Fabrication and Characterization

Science.gov (United States)

Lin, Yuqing; Trouillon, Raphaël; Svensson, Maria I.; Keighron, Jacqueline D.; Cans, Ann-Sofie; Ewing, Andrew G.

2012-01-01

Fabrication of carbon microelectrode arrays, with up to 15 electrodes in total tips as small as 10 to 50 μm, is presented. The support structures of microelectrodes were obtained by pulling multiple quartz capillaries together to form hollow capillary arrays before carbon deposition. Carbon ring microelectrodes were deposited by pyrolysis of acetylene in the lumen of these quartz capillary arrays. Each carbon deposited array tip was filled with epoxy, followed by beveling of the tip of the array to form a deposited carbon-ring microelectrode array (CRMA). Both the number of the microelectrodes in the array and the tip size are independently tunable. These CRMAs have been characterized using scanning electron microscopy, energy dispersive X-ray spectroscopy, and electrogenerated chemiluminescence. Additionally, the electrochemical properties were investigated with steady-state voltammetry. In order to demonstrate the utility of these fabricated microelectrodes in neurochemistry, CRMAs containing eight microring electrodes were used for electrochemical monitoring of exocytotic events from single PC12 cells. Subcellular temporal heterogeneities in exocytosis (ie. cold spots vs. hot spots) were successfully detected with the CRMAs. PMID:22339586

Conductive atomic force microscopy studies on the transformation of GeSi quantum dots to quantum rings.

Science.gov (United States)

Zhang, S L; Xue, F; Wu, R; Cui, J; Jiang, Z M; Yang, X J

2009-04-01

Conductive atomic force microscopy has been employed to study the topography and conductance distribution of individual GeSi quantum dots (QDs) and quantum rings (QRs) during the transformation from QDs to QRs by depositing an Si capping layer on QDs. The current distribution changes significantly with the topographic transformation during the Si capping process. Without the capping layer, the QDs are dome-shaped and the conductance is higher at the ring region between the center and boundary than that at the center. After capping with 0.32 nm Si, the shape of the QDs changes to pyramidal and the current is higher at both the center and the arris. When the Si capping layer increases to 2 nm, QRs are formed and the current of individual QRs is higher at the rim than that at the central hole. By comparing the composition distributions obtained by scanning Auger microscopy and atomic force microscopy combined with selective chemical etching, the origin of the current distribution change is discussed.

Dispersion engineering of thick high-Q silicon nitride ring-resonators via atomic layer deposition.

Science.gov (United States)

Riemensberger, Johann; Hartinger, Klaus; Herr, Tobias; Brasch, Victor; Holzwarth, Ronald; Kippenberg, Tobias J

2012-12-03

We demonstrate dispersion engineering of integrated silicon nitride based ring resonators through conformal coating with hafnium dioxide deposited on top of the structures via atomic layer deposition. Both, magnitude and bandwidth of anomalous dispersion can be significantly increased. The results are confirmed by high resolution frequency-comb-assisted-diode-laser spectroscopy and are in very good agreement with the simulated modification of the mode spectrum.

Trihydroborates and dihydroboranes bearing a pentacoordinated phosphorus atom: double ring expansion to balance the coordination states

Energy Technology Data Exchange (ETDEWEB)

Kano, Naokazu; O' Brien, Nathan J. [Department of Chemistry, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-0033 (Japan); Uematsu, Ryohei; Ramozzi, Romain; Morokuma, Keiji [Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyou-ku, Kyoto, 606-8103 (Japan)

2017-05-15

The first trihydroborate bearing a pentacoordinated phosphorus atom was synthesized as a new P-B bonded compound. Hydride abstraction of the trihydroborate gave an intermediary dihydroborane, which showed hydroboration reactivity and was trapped with pyridine whilst maintaining the P-B bond. The dihydroborane underwent a rearrangement, which involved a double ring expansion to compensate for the unbalanced coordination states of the phosphorus and boron atoms, to give a new fused bicyclic phosphine-boronate. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Trihydroborates and dihydroboranes bearing a pentacoordinated phosphorus atom: double ring expansion to balance the coordination states

International Nuclear Information System (INIS)

Kano, Naokazu; O'Brien, Nathan J.; Uematsu, Ryohei; Ramozzi, Romain; Morokuma, Keiji

2017-01-01

The first trihydroborate bearing a pentacoordinated phosphorus atom was synthesized as a new P-B bonded compound. Hydride abstraction of the trihydroborate gave an intermediary dihydroborane, which showed hydroboration reactivity and was trapped with pyridine whilst maintaining the P-B bond. The dihydroborane underwent a rearrangement, which involved a double ring expansion to compensate for the unbalanced coordination states of the phosphorus and boron atoms, to give a new fused bicyclic phosphine-boronate. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Recent results from the chemistry of recoiling carbon and silicon atoms: The interplay between hot atom chemistry and gas kinetics

International Nuclear Information System (INIS)

Gaspar, P.P.; Garmestani, K.; Ferrieri, R.A.; Wolf, A.P.

1990-01-01

Recent results from the chemistry of recoiling carbon and silicon atoms illustrate the power of an experimental approach to the solution of complex mechanistic problems that combines the study of the reactions of recoiling atoms with conventional gas kinetic techniques. Included will be the reactions of 11 C atoms with anisole, addressing the question whether an aromatic pi-electron system can compete as a reactive site with carbon-hydrogen bonds

Total Synthesis of Bryostatins. Development of Methodology for Atom-Economic and Stereoselective Synthesis of the C-ring Subunit

Science.gov (United States)

Trost, Barry M.; Frontier, Alison J.; Thiel, Oliver R.; Yang, Hanbiao; Dong, Guangbin

2012-01-01

Bryostatins, a family of structurally complicated macrolides, exhibit an exceptional range of biological activities. The limited availability and structural complexity of these molecules makes development of an efficient total synthesis particularly important. This article describes our initial efforts towards the total synthesis of bryostatins, in which chemoselective and atom-economical methods for stereoselective assembly of the C-ring subunit were developed. A Pd-catalyzed tandem alkyne-alkyne coupling/6-endo-dig cyclization sequence was explored and successfully pursued in the synthesis of a dihydropyran ring system. Elaboration of this methodology ultimately led to a concise synthesis of the C-ring subunit of bryostatins. PMID:21793057

Charge Exchange Contribution to the Decay of the Ring Current, Measured by Energetic Neutral Atoms (ENAs)

Science.gov (United States)

Jorgensen, A. M.; Henderson, M. G.; Roelof, E. C.; Reeves, G. D.; Spence, H. E.

2001-01-01

In this paper we calculate the contribution of charge exchange to the decay of the ring current. Past works have suggested that charge exchange of ring current protons is primarily responsible for the decay of the ring current during the late recovery phase, but there is still much debate about the fast decay of the early recovery phase. We use energetic neutral atom (ENA) measurements from Polar to calculate the total ENA energy escape. To get the total ENA escape we apply a forward modeling technique, and to estimate the total ring current energy escape we use the Dessler-Parker-Sckopke relationship. We find that during the late recovery phase of the March 10, 1998 storm ENAs with energies greater than 17.5 keV can account for 75% of the estimated energy loss from the ring current. During the fast recovery the measured ENAs can only account for a small portion of the total energy loss. We also find that the lifetime of the trapped ions is significantly shorter during the fast recovery phase than during the late recovery phase, suggesting that different processes are operating during the two phases.

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

Science.gov (United States)

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

2015-05-01

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

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

Science.gov (United States)

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

2016-03-18

Strategies for the total synthesis of complex natural products that contain two or more contiguous stereogenic quaternary carbon atoms in their intricate structures are reviewed with 12 representative examples. Emphasis has been put on methods to create quaternary carbon stereocenters, including syntheses of the same natural product by different groups, thereby showcasing the diversity of thought and individual creativity. A compendium of selected natural products containing two or more contiguous stereogenic quaternary carbon atoms and key reactions in their total or partial syntheses is provided in the Supporting Information. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tuning the Electronic and Dynamical Properties of a Molecule by Atom Trapping Chemistry.

Science.gov (United States)

Pham, Van Dong; Repain, Vincent; Chacon, Cyril; Bellec, Amandine; Girard, Yann; Rousset, Sylvie; Abad, Enrique; Dappe, Yannick J; Smogunov, Alexander; Lagoute, Jérôme

2017-11-28

The ability to trap adatoms with an organic molecule on a surface has been used to obtain a range of molecular functionalities controlled by the choice of the molecular trapping site and local deprotonation. The tetraphenylporphyrin molecule used in this study contains three types of trapping sites: two carbon rings (phenyl and pyrrole) and the center of a macrocycle. Catching a gold adatom on the carbon rings leads to an electronic doping of the molecule, whereas trapping the adatom at the macrocycle center with single deprotonation leads to a molecular rotor and a second deprotonation leads to a molecular jumper. We call "atom trapping chemistry" the control of the structure, electronic, and dynamical properties of a molecule achieved by trapping metallic atoms with a molecule on a surface. In addition to the examples previously described, we show that more complex structures can be envisaged.

Synthesis of tetrahydrokhusitone. Annulation of the cyclohexane ring by free radical and carbanionic sequence of reactions

Directory of Open Access Journals (Sweden)

ZIVORAD CEKOVIC

2003-05-01

Full Text Available The synthesis of norcadinane sesquiterpene tetrahydrokhusitone 1 has been achieved by a new method for annulation of cyclohexane ring involving a sequence of free radical d-alkylation of the non-activated carbon atom and intramolecular carbanionic alkylation. (–-Menthol was used as the starting compound.

Platinum clusters with precise numbers of atoms for preparative-scale catalysis.

Science.gov (United States)

Imaoka, Takane; Akanuma, Yuki; Haruta, Naoki; Tsuchiya, Shogo; Ishihara, Kentaro; Okayasu, Takeshi; Chun, Wang-Jae; Takahashi, Masaki; Yamamoto, Kimihisa

2017-09-25

Subnanometer noble metal clusters have enormous potential, mainly for catalytic applications. Because a difference of only one atom may cause significant changes in their reactivity, a preparation method with atomic-level precision is essential. Although such a precision with enough scalability has been achieved by gas-phase synthesis, large-scale preparation is still at the frontier, hampering practical applications. We now show the atom-precise and fully scalable synthesis of platinum clusters on a milligram scale from tiara-like platinum complexes with various ring numbers (n = 5-13). Low-temperature calcination of the complexes on a carbon support under hydrogen stream affords monodispersed platinum clusters, whose atomicity is equivalent to that of the precursor complex. One of the clusters (Pt 10 ) exhibits high catalytic activity in the hydrogenation of styrene compared to that of the other clusters. This method opens an avenue for the application of these clusters to preparative-scale catalysis.The catalytic activity of a noble metal nanocluster is tied to its atomicity. Here, the authors report an atom-precise, fully scalable synthesis of platinum clusters from molecular ring precursors, and show that a variation of only one atom can dramatically change a cluster's reactivity.

Preparation of PtRu/Carbon hybrid materials by hydrothermal carbonization: A study of the Pt:Ru atomic ratio

International Nuclear Information System (INIS)

Tusi, Marcelo Marques; Brandalise, Michele; Correa, Olandir Vercino; Oliveira Neto, Almir; Linardi, Marcelo; Spinace, Estevam Vitorio; Villalba, Juan Carlo

2009-01-01

PtRu/Carbon materials with different Pt:Ru atomic ratios (30:70, 50:50, 60:40, 80:20 and 90:10) and 5 wt% of nominal metal load were prepared by hydrothermal carbonization using H 2 PtCl 6.6 H 2 O and RuCl 3. xH 2 O as metals sources and catalysts of the carbonization process and starch as carbon source and reducing agent. The obtained materials were treated at 900 deg C under argon and characterized by EDX, XRD and cyclic voltammetry. The electro-oxidation of methanol was studied by cyclic voltammetry and chronoamperometry using thin porous coating technique. The PtRu/Carbon materials showed Pt:Ru atomic ratios obtained by EDX similar to the nominal ones. XRD analysis showed that Pt face-cubic centered (FCC) and Ru hexagonal close-packed (HCP) phases coexist in the obtained materials. The average crystallite sizes of the Pt (FCC) phase were in the range of 8-12 nm. The material prepared with Pt:Ru atomic ratio of 50:50 showed the best performance for methanol electro-oxidation. (author)

Theoretical study of adsorption of lithium atom on carbon nanotube

Directory of Open Access Journals (Sweden)

Masato Senami

2011-12-01

Full Text Available We investigate the adsorption of lithium atoms on the surface of the (12,0 single wall carbon nanotube (SWCNT by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsive force between lithium atoms destabilizes a system for the large number of lithium atoms.

Carbon, hydrogen oxygen isotope studies on imbedded old tree ring and paleoclimate reconstruction

International Nuclear Information System (INIS)

Sun Yanrong; Mu Zhiguo; Cui Haiting

2002-01-01

Tree ring is a kind of natural archives, on which the isotopic analysis is important to study global climate and environmental change. The authors mainly provide a comprehensive introduction to the fractionation models of carbon, hydrogen and oxygen isotope in plants, their research technique and the extract methods from cellulose. That results show isotopic tracer can record the message of climatic variation and has become a powerful tool for paleoclimate reconstruction and for the modern environment changing research. Especially studying on PAGES. the cellulose isotopic analyses of imbedded old tree ring have become the mainly quantitative means of environmental evolvement. In addition, China is a typical monsoon country, research in tree ring stable isotope seasonal variation can give a lot of important information on that. Up to now, the research techniques and works on tree ring in China are still in its earlier stage, and remain many limitations. It needs further accumulate basic research materials, intensity regional contrast and intercross studies on relative subjects

Fragmentation of neutral carbon clusters formed by high velocity atomic collision

International Nuclear Information System (INIS)

Martinet, G.

2004-05-01

The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)

Does the position of the electron-donating nitrogen atom in the ring system influence the efficiency of a dye-sensitized solar cell? A computational study.

Science.gov (United States)

Biswas, Abul Kalam; Barik, Sunirmal; Das, Amitava; Ganguly, Bishwajit

2016-06-01

We have reported a number of new metal-free organic dyes (2-6) that have cyclic asymmetric benzotripyrrole derivatives as donor groups with peripheral nitrogen atoms in the ring, fluorine and thiophene groups as π-spacers, and a cyanoacrylic acid acceptor group. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were employed to examine the influence of the position of the donor nitrogen atom and π-conjugation on solar cell performance. The calculated electron-injection driving force (ΔG inject), electron-regeneration driving force (ΔG regen), light-harvesting efficiency (LHE), dipole moment (μ normal), and number of electrons transferred (∆q) indicate that dyes 3, 4, and 6 have significantly higher efficiencies than reference dye 1, which exhibits high efficiency. We also extended our comparison to some other reported dyes, 7-9, which have a donor nitrogen atom in the middle of the ring system. The computed results suggest that dye 6 possesses a higher incident photon to current conversion efficiency (IPCE) than reported dyes 7-9. Thus, the use of donor groups with peripheral nitrogen atoms appears to lead to more efficient dyes than those in which the nitrogen atom is present in the middle of the donor ring system. Graphical Abstract The locations of the nitrogen atoms in the donor groups in the designed dye molecules have an important influence on DSSC efficiency.

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

Science.gov (United States)

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

1978-01-01

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

Peptide block copolymers by N-carboxyanhydride ring-opening polymerization and atom transfer radical polymerization: The effect of amide macroinitiators

NARCIS (Netherlands)

Habraken, G.J.M.; Koning, C.E.; Heise, A.

2009-01-01

The synthesis of polypeptide-containing block copolymers combining N-carboxyanhydride (NCA) ring-opening polymerization and atom transfer radical polymerization (ATRP) was investigated. An amide initiator comprising an amine function for the NCA polymerization and an activated bromide for ATRP was

The nuclear bomb carbon curve recorded in tree-rings and lake sediments near Taal Volcano, Central Philippines

Science.gov (United States)

Liou, M. S.; Li, H. C.; Huang, S. K.; Guan, B. T.

2017-12-01

Dendrochronologies built from precisely dated annual rings have shown to record the regional bomb pulse and the C-14 concentration variations caused by local events. In this study, we collected teak trees Tectona grandis near the Lake Taal, Central Philippines in 2011 for dendrochronological analysis and radiocarbon dating. The tree-ring sample contains 90 rings dated from 1922 to 2011. Currently, 28 selected subsamples have been measured by AMS 14C on bulk carbon with a few samples on holocellulose. The 14C results of the samples indicate that: 1) the results of AMS 14C dating between holocellulose and whole wood from the same ring are similar, so we select whole wood for AMS 14C dating. 2) The nuclear bomb 14C pulse was clearly recorded in the Tectona grandis growth rings. The Δ14C values rose dramatically in 1960 and reached a maximum of 692‰ in 1966. The magnitude and the peak year of the bomb curve in the Tectona grandis tree-ring record are comparable to other published tree-ring records in the tropical regions. 3) The Δ14C values suddenly dropped in 1950, 1964 and 1968, probably affected by CO2 gas releasing due to the Taal volcanic activities. Further study on the tree-ring 14C dating will allow us to evaluate the bomb pulse trends more precisely, and the volcanic activities of Pinatubo and Taal Volcanoes. The tree-ring Δ14C record not only confirms existence of the bomb curve in Taal Lake area, but also allows us compare to the Δ14C record in the lake sediment for chronological construction. A 120-cm gravity core, TLS-2, collected from Lake Taal in 2008, shows the nuclear bomb carbon curve in the TOC of the core. However, the magnitude of the nuclear bomb 14C pulse in the TOC of TLS-2 is much lower than that in the tree-ring records, due to mixing effect of different organic carbon sources, smoothing effect of 14CO2 in multiple years plant growths, local old CO2 emission from volcanic activity, degassing from the lake bottom, and industrial and city

Topological ring currents in the "empty" ring of benzo-annelated perylenes.

Science.gov (United States)

Dickens, Timothy K; Mallion, Roger B

2011-01-27

Cyclic conjugation in benzo-annelated perylenes is examined by means of the topological π-electron ring currents calculated for each of their constituent rings, in a study that is an exact analogy of a recent investigation by Gutman et al. based on energy-effect values for the corresponding rings in each of these structures. "Classical" approaches, such as Kekulé structures, Clar "sextet" formulas, and circuits of conjugation, predict that the central ring in perylene is "empty" and thus contributes negligibly to cyclic conjugation. However, conclusions from the present calculations of topological ring currents agree remarkably with those arising from the earlier study involving energy-effect values in that, contrary to what would be predicted from the classical approaches, rings annelated in an angular fashion relative to the central ring of these perylene structures materially increase the extent of that ring's involvement in cyclic conjugation. It is suggested that such close quantitative agreement between the predictions of these two superficially very different indices (energy effect and topological ring current) might be due to the fact that, ultimately, both depend, albeit in ostensibly quite different ways, only on an adjacency matrix that contains information about the carbon-carbon connectivity of the conjugated system in question.

Atomic layer deposition of dielectrics for carbon-based electronics

Energy Technology Data Exchange (ETDEWEB)

Kim, J., E-mail: jiyoung.kim@utdallas.edu; Jandhyala, S.

2013-11-01

Carbon based nanomaterials like nanotubes and graphene have emerged as future generation electronic materials for device applications because of their interesting properties such as high-mobility and ability to carry high-current densities compared to conventional semiconductor materials like silicon. Therefore, there is a need to develop techniques to integrate robust gate dielectrics with high-quality interfaces for these materials in order to attain maximum performance. To date, a variety of methods including physical vapor deposition, atomic layer deposition (ALD), physical assembly among others have been employed in order to integrate dielectrics for carbon nanotube and graphene based field-effect transistors. Owing to the difficulty in wetting pristine surfaces of nanotubes and graphene, most of the ALD methods require a seeding technique involving non-covalent functionalization of their surfaces in order to nucleate dielectric growth while maintaining their intrinsic properties. A comprehensive review regarding the various dielectric integration schemes for emerging devices and their limitations with respect to ALD based methods along with a future outlook is provided. - Highlights: • We introduce various dielectric integration schemes for carbon-based devices. • Physical vapor deposition methods tend to degrade device performance. • Atomic layer deposition on pristine surfaces of graphene and nanotube is difficult. • We review different seeding techniques for atomic layer deposition of dielectrics. • Compare the performance of graphene top-gate devices with different dielectrics.

Atomic layer deposition of dielectrics for carbon-based electronics

International Nuclear Information System (INIS)

Kim, J.; Jandhyala, S.

2013-01-01

Carbon based nanomaterials like nanotubes and graphene have emerged as future generation electronic materials for device applications because of their interesting properties such as high-mobility and ability to carry high-current densities compared to conventional semiconductor materials like silicon. Therefore, there is a need to develop techniques to integrate robust gate dielectrics with high-quality interfaces for these materials in order to attain maximum performance. To date, a variety of methods including physical vapor deposition, atomic layer deposition (ALD), physical assembly among others have been employed in order to integrate dielectrics for carbon nanotube and graphene based field-effect transistors. Owing to the difficulty in wetting pristine surfaces of nanotubes and graphene, most of the ALD methods require a seeding technique involving non-covalent functionalization of their surfaces in order to nucleate dielectric growth while maintaining their intrinsic properties. A comprehensive review regarding the various dielectric integration schemes for emerging devices and their limitations with respect to ALD based methods along with a future outlook is provided. - Highlights: • We introduce various dielectric integration schemes for carbon-based devices. • Physical vapor deposition methods tend to degrade device performance. • Atomic layer deposition on pristine surfaces of graphene and nanotube is difficult. • We review different seeding techniques for atomic layer deposition of dielectrics. • Compare the performance of graphene top-gate devices with different dielectrics

Seasonal changes in stable carbon isotope ratios within annual growth rings of Pinus radiata

International Nuclear Information System (INIS)

Walcroft, A.; Silvester, W.; Whitehead, D.; Kelliher, F.

1997-01-01

The stable isotope composition of photosynthetically assimilated carbon (δ 13 C) is determined by the ratio of the leaf internal CO 2 concentration (c i ) to that of the ambient air (c a ), and so reflects the contribution of both stomatal conductance (g s ) and the rate of photosynthesis (A). Assimilated carbon which is subsequently laid down as wood in annual growth rings may therefore represent a time integrated record of physiological responses by the whole tree to seasonal changes in the environmental variables regulating growth. We analysed the stable carbon isotope composition of Pinus radiata wood collected from two plantation forest sites in New Zealand which differ markedly in temperature, rainfall and soil characteristics. For both sites, discs were cut from the stem of several trees near ground level and whole wood samples were taken from within individual annual growth rings over a number of years. At one site, diameter bands were installed over the 1994 - 1996 growing seasons in order to date precisely the formation of wood during that time. Trees at each site consistently showed a seasonal pattern in the stable isotope composition of wood within individual growth rings. The amplitude of seasonal δ 13 C variation at the wet and dry sites were 1-2 per thousand and 4 per thousand respectively. Mean δ 13 C values from the wet site were 3 per thousand more 13 C depleted than those from the dry site implying lower water-use efficiency (carbon assimilation per unit transpiration). A process-based, model of stomatal conductance and CO 2 assimilation was combined with a soil-water balance model to estimate the average daily leaf-level intercellular CO 2 concentration (c i ). Over two growing seasons at each site there was generally good agreement between mean canopy-level c i derived from the tree-ring δ 13 C data and modelled leaf-level c i levels. Further, the ratio of annual CO 2 assimilation to transpiration estimated by the model for each site

Atomic carbon chains as spin-transmitters: An ab initio transport study

DEFF Research Database (Denmark)

Fürst, Joachim Alexander; Brandbyge, Mads; Jauho, Antti-Pekka

2010-01-01

An atomic carbon chain joining two graphene flakes was recently realized in a ground-breaking experiment by Jin et al. (Phys. Rev. Lett., 102 (2009) 205501). We present ab initio results for the electron transport properties of such chains and demonstrate complete spin-polarization of the transmi......An atomic carbon chain joining two graphene flakes was recently realized in a ground-breaking experiment by Jin et al. (Phys. Rev. Lett., 102 (2009) 205501). We present ab initio results for the electron transport properties of such chains and demonstrate complete spin...

Theoretical study of adsorption of lithium atom on carbon nanotube

OpenAIRE

Senami, Masato; Ikeda, Yuji; Fukushima, Akinori; Tachibana, Akitomo

2011-01-01

We investigate the adsorption of lithium atoms on the surface of the (12, 0) single wall carbon nanotube (SWCNT) by using ab initio quantum chemical calculations. The adsorption of one lithium atom on the inside of this SWCNT is favored compared to the outside. We check this feature by charge transfer and regional chemical potential density. The adsorption of multiple lithium atoms on the interior of the SWCNT is studied in terms of adsorption energy and charge transfer. We show that repulsiv...

Deposition of amorphous carbon films using Ar and/or N{sub 2} magnetron sputter with ring permanent magnet

Energy Technology Data Exchange (ETDEWEB)

Kinoshita, Haruhisa, E-mail: rdhkino@ipc.shizuoka.ac.jp; Kubota, Masaya; Ohno, Genji

2012-11-15

Magnetron sputter with a rotating ring permanent magnet using Ar and/or N{sub 2} gases were first used to form amorphous carbon (a-C and a-CN{sub x}) films on p-Si wafers set on a grounded lower electrode. The a-C film was hard while the a-CN{sub x} films were soft. These films include a little O and H atoms unintentionally. Optical band gap, refractive index, Fourier transform infrared spectroscopy absorption spectra, hardness and field emission threshold electric field were significantly different between a-C and a-CN{sub x} films. The optical band gap of the a-C film was 0.7 eV while those of a-CN{sub x} films were almost constant at about 1.25 eV. The low field emission threshold electric field of 13 V/{mu}m was obtained in hard a-C film.

Optical ferris wheel for ultracold atoms

Science.gov (United States)

Franke-Arnold, S.; Leach, J.; Padgett, M. J.; Lembessis, V. E.; Ellinas, D.; Wright, A. J.; Girkin, J. M.; Ohberg, P.; Arnold, A. S.

2007-07-01

We propose a versatile optical ring lattice suitable for trapping cold and quantum degenerate atomic samples. We demonstrate the realisation of intensity patterns from pairs of Laguerre-Gauss (exp(iℓө) modes with different ℓ indices. These patterns can be rotated by introducing a frequency shift between the modes. We can generate bright ring lattices for trapping atoms in red-detuned light, and dark ring lattices suitable for trapping atoms with minimal heating in the optical vortices of blue-detuned light. The lattice sites can be joined to form a uniform ring trap, making it ideal for studying persistent currents and the Mott insulator transition in a ring geometry.

Characterization of coal structure by CP/MAS carbon-13 NMR spectrometry

International Nuclear Information System (INIS)

Yoshida, T.; Maekawa, Y.

1987-01-01

Cross-polarization (CP)/magic angle spinning (MAS) carbon-13 nuclear magnetic resonance (n.m.r.) spectrometry has been applied to the analysis of the whole structures of different ranks of coal. Three basic structural parameters, namely carbon aromaticity fa, new carbon aromaticity fa', and atomic H/C ratio for the hypothetical unsubstituted aromatic nuclei Haru/Car, were derived from the combined data of ultimate analysis, the distributions of carbon and oxygen functional groups obtained from the spectrum and the distribution of four types of methylene carbon groups in coal. Both fa and fa' values generally increased with coal rank and ranged from 0.51 to 0.71 and from 0.62 to 0.76, respectively. Haru/Car value tended to decrease with coal rank although the value was greatly affected by the types of hydroaromatic methylene carbons to aromatic rings. The values indicated that lower-rank coals consisted mainly of 1-3 aromatic rings, and higher-rank coals, 3-5 aromatic rings. 24 refs.; 5 figs.; 4 tabs

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

Science.gov (United States)

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

2004-01-01

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

Total synthesis of bryostatins: the development of methodology for the atom-economic and stereoselective synthesis of the ring C subunit.

Science.gov (United States)

Trost, Barry M; Frontier, Alison J; Thiel, Oliver R; Yang, Hanbiao; Dong, Guangbin

2011-08-22

Bryostatins, a family of structurally complicated macrolides, exhibit an exceptional range of biological activities. The limited availability and structural complexity of these molecules makes development of an efficient total synthesis particularly important. This article describes our initial efforts towards the total synthesis of bryostatins, in which chemoselective and atom-economical methods for the stereoselective assembly of the ring C subunit were developed. A Pd-catalyzed tandem alkyne-alkyne coupling/6-endo-dig cyclization sequence was explored and successfully pursued in the synthesis of a dihydropyran ring system. Elaboration of this methodology ultimately led to a concise synthesis of the ring C subunit of bryostatins. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrochemical performance and structure evolution of core-shell nano-ring α-Fe_2O_3@Carbon anodes for lithium-ion batteries

International Nuclear Information System (INIS)

Sun, Yan-Hui; Liu, Shan; Zhou, Feng-Chen; Nan, Jun-Min

2016-01-01

Core-shell nano-ring α-Fe_2O_3@Carbon (CSNR) composites with different carbon content (CSNR-5%C and CSNR-13%C) are synthesized using a hydrothermal method by controlling different amounts of glucose and α-Fe_2O_3 nano-rings with further annealing. The CSNR electrodes exhibit much improved specific capacity, cycling stability and rate capability compared with that of bare nano-ring α-Fe_2O_3 (BNR), which is attributed to the core-shell nano-ring structure of CSNR. The carbon shell in the inner and outer surface of CSNR composite can increase electron conductivity of the electrode and inhibit the volume change of α-Fe_2O_3 during discharge/charge processes, and the nano-ring structure of CSNR can buffer the volume change too. The CSNR-5%C electrode shows super high initial discharge/charge capacities of 1570/1220 mAh g"−"1 and retains 920/897 mAh g"−"1 after 200 cycles at 500 mA g"−"1 (0.5C). Even at 2000 mA g"−"1 (2C), the electrode delivers the initial capacities of 1400/900 mAh g"−"1, and still maintains 630/610 mAh g"−"1 after 200 cycles. The core-shell nano-rings opened during cycling and rebuilt a new flower-like structure consisting of α-Fe_2O_3@Carbon nano-sheets. The space among the nano-sheet networks can further buffer the volume expansion of α-Fe_2O_3 and facilitate the transportation of electrons and Li"+ ions during the charge/discharge processes, which increases the capacity and rate capability of the electrode. It is the first time that the evolution of core-shell α-Fe_2O_3@Carbon changing to flower-like networks during lithiation/de-lithiation has been reported.

Electrochemical performance and structure evolution of core-shell nano-ring α-Fe2O3@Carbon anodes for lithium-ion batteries

Science.gov (United States)

Sun, Yan-Hui; Liu, Shan; Zhou, Feng-Chen; Nan, Jun-Min

2016-12-01

Core-shell nano-ring α-Fe2O3@Carbon (CSNR) composites with different carbon content (CSNR-5%C and CSNR-13%C) are synthesized using a hydrothermal method by controlling different amounts of glucose and α-Fe2O3 nano-rings with further annealing. The CSNR electrodes exhibit much improved specific capacity, cycling stability and rate capability compared with that of bare nano-ring α-Fe2O3 (BNR), which is attributed to the core-shell nano-ring structure of CSNR. The carbon shell in the inner and outer surface of CSNR composite can increase electron conductivity of the electrode and inhibit the volume change of α-Fe2O3 during discharge/charge processes, and the nano-ring structure of CSNR can buffer the volume change too. The CSNR-5%C electrode shows super high initial discharge/charge capacities of 1570/1220 mAh g-1 and retains 920/897 mAh g-1 after 200 cycles at 500 mA g-1 (0.5C). Even at 2000 mA g-1 (2C), the electrode delivers the initial capacities of 1400/900 mAh g-1, and still maintains 630/610 mAh g-1 after 200 cycles. The core-shell nano-rings opened during cycling and rebuilt a new flower-like structure consisting of α-Fe2O3@Carbon nano-sheets. The space among the nano-sheet networks can further buffer the volume expansion of α-Fe2O3 and facilitate the transportation of electrons and Li+ ions during the charge/discharge processes, which increases the capacity and rate capability of the electrode. It is the first time that the evolution of core-shell α-Fe2O3@Carbon changing to flower-like networks during lithiation/de-lithiation has been reported.

Carbon nanotube forests growth using catalysts from atomic layer deposition

Energy Technology Data Exchange (ETDEWEB)

Chen, Bingan; Zhang, Can; Esconjauregui, Santiago; Xie, Rongsi; Zhong, Guofang; Robertson, John [Department of Engineering, University of Cambridge, Cambridge CB3 0FA (United Kingdom); Bhardwaj, Sunil [Istituto Officina dei Materiali-CNR Laboratorio TASC, s.s. 14, km 163.4, I-34012 Trieste (Italy); Sincrotone Trieste S.C.p.A., s.s. 14, km 163.4, I-34149 Trieste (Italy); Cepek, Cinzia [Istituto Officina dei Materiali-CNR Laboratorio TASC, s.s. 14, km 163.4, I-34012 Trieste (Italy)

2014-04-14

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

Crossed-beam reaction of carbon atoms with hydrocarbon molecules. IV. Chemical dynamics of methylpropargyl radical formation, C4H5, from reaction of C(3Pj) with propylene, C3H6 (X1A)

International Nuclear Information System (INIS)

Kaiser, R.I.; Stranges, D.; Bevsek, H.M.; Lee, Y.T.; Suits, A.G.

1997-01-01

The reaction between ground state carbon atoms and propylene, C 3 H 6 , was studied at average collision energies of 23.3 and 45.0 kJmol -1 using the crossed molecular beam technique. Product angular distributions and time-of-flight spectra of C 4 H 5 at m/e=53 were recorded. Forward-convolution fitting of the data yields a maximum energy release as well as angular distributions consistent with the formation of methylpropargyl radicals. Reaction dynamics inferred from the experimental results suggest that the reaction proceeds on the lowest 3 A surface via an initial addition of the carbon atom to the π-orbital to form a triplet methylcyclopropylidene collision complex followed by ring opening to triplet 1,2-butadiene. Within 0.3 endash 0.6 ps, 1,2-butadiene decomposes through carbon endash hydrogen bond rupture to atomic hydrogen and methylpropargyl radicals. The explicit identification of C 4 H 5 under single collision conditions represents a further example of a carbon endash hydrogen exchange in reactions of ground state carbon with unsaturated hydrocarbons. This versatile machine represents an alternative pathway to build up unsaturated hydrocarbon chains in combustion processes, chemical vapor deposition, and in the interstellar medium. copyright 1997 American Institute of Physics

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

Directory of Open Access Journals (Sweden)

Alberto Milani

2015-02-01

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

Chemical control of electrical contact to sp² carbon atoms.

Science.gov (United States)

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

2014-04-16

Carbon-based nanostructures are attracting tremendous interest as components in ultrafast electronics and optoelectronics. The electrical interfaces to these structures play a crucial role for the electron transport, but the lack of control at the atomic scale can hamper device functionality and integration into operating circuitry. Here we study a prototype carbon-based molecular junction consisting of a single C60 molecule and probe how the electric current through the junction depends on the chemical nature of the foremost electrode atom in contact with the molecule. We find that the efficiency of charge injection to a C60 molecule varies substantially for the considered metallic species, and demonstrate that the relative strength of the metal-C bond can be extracted from our transport measurements. Our study further suggests that a single-C60 junction is a basic model to explore the properties of electrical contacts to meso- and macroscopic sp(2) carbon structures.

Chemical control of electrical contact to sp2 carbon atoms

Science.gov (United States)

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

2014-04-01

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

X-ray photoelectron spectroscopy study of the functionalization of carbon metal-containing nanotubes with phosphorus atoms

International Nuclear Information System (INIS)

Shabanova, I.N.; Terebova, N.S.

2013-01-01

Highlights: •Carbon metal-containing nanotubes (Me–Cu, Ni, Fe) were functionalized with chemical groups containing different concentrations of phosphorous. •The C1s and Me3s spectra were measured by the X-ray photoelectron spectroscopy method. •The values of the atomic magnetic moment of the carbon metal-containing nanotubes were determined. -- Abstract: In the present paper, carbon metal-containing (Me: Cu, Ni, Fe) nanotubes functionalized with phosphorus atoms (ammonium polyphosphate) were studied by X-ray photoelectron spectroscopy (XPS) on an X-ray electron magnetic spectrometer. It is found that the functionalization leads to the change of the metal atomic magnetic moment, i.e. the value of the atomic magnetic moment in the functionalized carbon metal-containing (Cu, Ni, Fe) nanotubes increases and is higher than that in pristine nanotubes. It is shown that the covalent bond of Me and P atoms is formed. This leads to an increase in the activity of the nanostructure surface which is necessary for the modification of materials

Patterns of Storage, Synthesis and Changing Light Levels Revealed by Carbon Isotope Microsampling within Eocene Metasequoia Tree Rings

Science.gov (United States)

Jahren, H.; Sternberg, L.

2005-12-01

Fossil tree rings from Axel Heiberg Island were microanalyzed for δ13C value in order to assess patterns of tree growth and carbon storage within the Middle Eocene (~45 Ma) Arctic paleoenvironment. Wood from four Metasequoia-type individuals was subsampled for analysis: each individual fossil consisted of between 4 and 10 large (~1 cm thick) consecutive tree rings. One of the fossils displayed an obvious concentric pattern, allowing for the determination of the direction of growth with isotopic pattern. Each ring was divided into ~1 mm thick subsamples, resulting in 5-10 δ13C value determinations per period of ring growth (i.e., growing season). All rings revealed a distinct pattern that was characteristic across growing seasons and across individual fossils. Early in the season, δ13C was at its highest value but descended systematically and sharply to its lowest value at the end of the growing season. Total decrease ranged between 3 and 5 ‰ over the course of each growing season. Identical patterns were observed in the δ13C value of alpha-cellulose isolated from each subsample, indicating that the trends observed did not represent changing levels of secondary metabolites, but rather a seasonal adjustment in the bulk source of carbon used during biosynthesis. Our results are consistent with the following annual pattern of wood synthesis 1.) complete dependence on the mobilization of stored carbon compounds early in the growing season; 2.) systematically increasing use of actively-acquired photosynthate during the growing season; 3.) complete reliance on active photosynthate by the end of the growing season. An additional and significant source of 13C discrimination is declining light levels late in the growing season, and likely contributes to the extreme pattern of δ13C decrease seen across each ring. Our results mimic those seen from modern broadleaf deciduous trees (Helle & Schlesser 2004), but differ from those seen in modern conifers (Barbour et al 2002

Visualization of arrangements of carbon atoms in graphene layers by Raman mapping and atomic-resolution TEM

KAUST Repository

Cong, Chunxiao; Li, Kun; Zhang, Xixiang; Yu, Ting

2013-01-01

In-plane and out-of-plane arrangements of carbon atoms in graphene layers play critical roles in the fundamental physics and practical applications of these novel two-dimensional materials. Here, we report initial results on the edge

Intramolecular 13C analysis of tree rings provides multiple plant ecophysiology signals covering decades.

Science.gov (United States)

Wieloch, Thomas; Ehlers, Ina; Yu, Jun; Frank, David; Grabner, Michael; Gessler, Arthur; Schleucher, Jürgen

2018-03-22

Measurements of carbon isotope contents of plant organic matter provide important information in diverse fields such as plant breeding, ecophysiology, biogeochemistry and paleoclimatology. They are currently based on 13 C/ 12 C ratios of specific, whole metabolites, but we show here that intramolecular ratios provide higher resolution information. In the glucose units of tree-ring cellulose of 12 tree species, we detected large differences in 13 C/ 12 C ratios (>10‰) among carbon atoms, which provide isotopically distinct inputs to major global C pools, including wood and soil organic matter. Thus, considering position-specific differences can improve characterisation of soil-to-atmosphere carbon fluxes and soil metabolism. In a Pinus nigra tree-ring archive formed from 1961 to 1995, we found novel 13 C signals, and show that intramolecular analysis enables more comprehensive and precise signal extraction from tree rings, and thus higher resolution reconstruction of plants' responses to climate change. Moreover, we propose an ecophysiological mechanism for the introduction of a 13 C signal, which links an environmental shift to the triggered metabolic shift and its intramolecular 13 C signature. In conclusion, intramolecular 13 C analyses can provide valuable new information about long-term metabolic dynamics for numerous applications.

Evaluation of the Aromaticity of a Non-Planar Carbon Nano-Structure by Nucleus-Independent Chemical Shift Criterion: Aromaticity of the Nitrogen- Doped Corannulene

Directory of Open Access Journals (Sweden)

A. Reisi-Vanani

2014-04-01

Full Text Available Substitution of two or four carbon atoms by nitrogen in the corannulene molecule as a carbon nanostructure was done and the obtained structures were optimized at MP2/6-31G(d level of theory. Calculations of the nucleus-independent chemical shift (NICS were performed to analyze the aromaticity of the corannulene rings and its derivatives upon doping with N at B3LYP/6-31G(d level of theory. Results showed NICS values in six-membered and five-membered rings of two and four N atoms doped corannulene are different and very dependent to number and position of the N atoms. The values of the mean NICS of all N-doped structures are more positive than intact corannulene that show insertion of N atom to the structures causes to decreasing aromaticity of them.

Stable carbon isotopic composition of tree rings from a pine tree from Augustów Wilderness, Poland, as a temperature and local environment conditions indicator.

Science.gov (United States)

Pawelczyk, Slawomira; Pazdur, Anna; Halas, Stanislaw

2004-06-01

Tree rings can be used as archives of climatic and environmental data with annual resolution. Tree rings widths, maximum late wood density and other parameters as stable composition in tree rings can be used for the reconstruction of past climatic and environmental changes. Stable carbon isotope ratios in tree rings may provide valuable information on past climatic conditions. 13C/12C ratios of plant organic matter can reflect corresponding 13C/12C ratio of atmospheric CO2 during formation of the rings. Investigations of isotopic carbon composition in tree rings from in the ecologically clean the Augustów Wilderness region in the north-eastern part of Poland (22 degrees 58'E, 53 degrees 51'N) (nowadays a sanctuary) were undertaken. Series of delta13C in alpha-cellulose and in wholewood were acquired. Those measurements constituted a part of more complex investigations of carbon isotope composition in tree rings including the measurements of radiocarbon concentration and tree ring widths. This article presents preliminary results. It is argued that contrary to the tree ring widths and delta13C in wholewood that do not reveal significant correlation with temperature, the variation of delta13C in the latewood alpha-cellulose is correlated with combined July and August temperatures. Copyright 2004 Taylor and Francis Ltd.

Negative Differential Resistance in Atomic Carbon Chain-Graphene Junctions

International Nuclear Information System (INIS)

An Liping; Liu Chunmei; Liu Nianhua

2012-01-01

We investigate the electronic transport properties of atomic carbon chain-graphene junctions by using the density-functional theory combining with the non-equilibrium Green's functions. The results show that the transport properties are sensitively dependent on the contact geometry of carbon chain. From the calculated I-V curve we find negative differential resistance (NDR) in the two types of junctions. The NDR can be considered as a result of molecular orbitals moving related to the bias window. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Sensitivity of ring growth and carbon allocation to climatic variation vary within ponderosa pine trees.

Science.gov (United States)

Kerhoulas, Lucy P; Kane, Jeffrey M

2012-01-01

Most dendrochronological studies focus on cores sampled from standard positions (main stem, breast height), yet vertical gradients in hydraulic constraints and priorities for carbon allocation may contribute to different growth sensitivities with position. Using cores taken from five positions (coarse roots, breast height, base of live crown, mid-crown branch and treetop), we investigated how radial growth sensitivity to climate over the period of 1895-2008 varies by position within 36 large ponderosa pines (Pinus ponderosa Dougl.) in northern Arizona. The climate parameters investigated were Palmer Drought Severity Index, water year and monsoon precipitation, maximum annual temperature, minimum annual temperature and average annual temperature. For each study tree, we generated Pearson correlation coefficients between ring width indices from each position and six climate parameters. We also investigated whether the number of missing rings differed among positions and bole heights. We found that tree density did not significantly influence climatic sensitivity to any of the climate parameters investigated at any of the sample positions. Results from three types of analyses suggest that climatic sensitivity of tree growth varied with position height: (i) correlations of radial growth and climate variables consistently increased with height; (ii) model strength based on Akaike's information criterion increased with height, where treetop growth consistently had the highest sensitivity and coarse roots the lowest sensitivity to each climatic parameter; and (iii) the correlation between bole ring width indices decreased with distance between positions. We speculate that increased sensitivity to climate at higher positions is related to hydraulic limitation because higher positions experience greater xylem tensions due to gravitational effects that render these positions more sensitive to climatic stresses. The low sensitivity of root growth to all climatic variables

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

Science.gov (United States)

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

2016-07-01

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

Analysis of Carbon Nanotubes on the Mechanical Properties at Atomic Scale

Directory of Open Access Journals (Sweden)

Xiaowen Lei

2011-01-01

Full Text Available This paper aims at developing a mathematic model to characterize the mechanical properties of single-walled carbon nanotubes (SWCNTs. The carbon-carbon (C–C bonds between two adjacent atoms are modeled as Euler beams. According to the relationship of Tersoff-Brenner force theory and potential energy acting on C–C bonds, material constants of beam element are determined at the atomic scale. Based on the elastic deformation energy and mechanical equilibrium of a unit in graphite sheet, simply form ED equations of calculating Young's modulus of armchair and zigzag graphite sheets are derived. Following with the geometrical relationship of SWCNTs in cylindrical coordinates and the structure mechanics approach, Young's modulus and Poisson's ratio of armchair and zigzag SWCNTs are also investigated. The results show that the approach to research mechanical properties of SWCNTs is a concise and valid method. We consider that it will be useful technique to progress on this type of investigation.

Methane Formation by Flame-Generated Hydrogen Atoms in the Flame Ionization Detector

DEFF Research Database (Denmark)

Holm, Torkil; Madsen, Jørgen Øgaard

1996-01-01

, and conceivably all hydrocarbons are quantitatively converted into methane at temperatures below 600 C, that is, before the proper combustion has started. The splitting of the C-C bonds is preceded by hydrogenation of double and triple bonds and aromatic rings. The reactions, no doubt, are caused by hydrogen...... atoms, which are formed in the burning hydrogen and which diffuse into the inner core of the flame. The quantitative formation of methane appears to explain the "equal per carbon" rule for the detector response of hydrocarbons, since all carbons are "exchanged" for methane molecules....

Development of high-speed reactive processing system for carbon fiber-reinforced polyamide-6 composite: In-situ anionic ring-opening polymerization

International Nuclear Information System (INIS)

Kim, Sang-Woo; Seong, Dong Gi; Yi, Jin-Woo; Um, Moon-Kwang

2016-01-01

In order to manufacture carbon fiber-reinforced polyamide-6 (PA-6) composite, we optimized the reactive processing system. The in-situ anionic ring-opening polymerization of ε-caprolactam was utilized with proper catalyst and initiator for PA-6 matrix. The mechanical properties such as tensile strength, inter-laminar shear strength and compressive strength of the produced carbon fiber-reinforced PA-6 composite were measured, which were compared with the corresponding scanning electron microscope (SEM) images to investigate the polymer properties as well as the interfacial interaction between fiber and polymer matrix. Furthermore, kinetics of in-situ anionic ring-opening polymerization of ε-caprolactam will be discussed in the viewpoint of increasing manufacturing speed and interfacial bonding between PA-6 matrix and carbon fiber during polymerization.

Development of high-speed reactive processing system for carbon fiber-reinforced polyamide-6 composite: In-situ anionic ring-opening polymerization

Energy Technology Data Exchange (ETDEWEB)

Kim, Sang-Woo; Seong, Dong Gi; Yi, Jin-Woo; Um, Moon-Kwang [Composites Research Division, Korea Institute of Materials Science (KIMS), Changwon, Gyeongnam, 642–831 (Korea, Republic of)

2016-05-18

In order to manufacture carbon fiber-reinforced polyamide-6 (PA-6) composite, we optimized the reactive processing system. The in-situ anionic ring-opening polymerization of ε-caprolactam was utilized with proper catalyst and initiator for PA-6 matrix. The mechanical properties such as tensile strength, inter-laminar shear strength and compressive strength of the produced carbon fiber-reinforced PA-6 composite were measured, which were compared with the corresponding scanning electron microscope (SEM) images to investigate the polymer properties as well as the interfacial interaction between fiber and polymer matrix. Furthermore, kinetics of in-situ anionic ring-opening polymerization of ε-caprolactam will be discussed in the viewpoint of increasing manufacturing speed and interfacial bonding between PA-6 matrix and carbon fiber during polymerization.

Observation of isolated carbon atoms and the study of their mobility on Pt clusters by NMR

International Nuclear Information System (INIS)

Wang, P.; Ansermet, J.; Slichter, C.P.; Sinfelt, J.H.

1985-01-01

The authors have used NMR to determine the structure of surface species after the C-C bond scission of adsorbed acetylene and ethylene on Pt clusters produced by heating the samples to 690 K. They have found the species to be predominantly isolated carbon atoms adsorbed on Pt surfaces. They have studied the mobility of adsorbed carbon atoms from motional narrowing of the 13 C line shapes and motion-induced shortening of the spin-lattice relaxation times. They have found that the carbon atoms on Pt clusters are very mobile, their activation energy of 7 +- 1 kcal/mole for translational motion being less than half that of CO on Pt clusters

Carbon nanotubes as solid-phase extraction sorbents prior to atomic spectrometric determination of metal species: A review

International Nuclear Information System (INIS)

Herrero Latorre, C.; Álvarez Méndez, J.; Barciela García, J.; García Martín, S.; Peña Crecente, R.M.

2012-01-01

Highlights: ► The use of CNTs as sorbent for metal species in solid phase extraction has been described. ► Physical and chemical strategies for functionalization of carbon nanotubes have been discussed. ► Published analytical methods concerning solid phase extraction and atomic spectrometric determination have been reviewed. - Abstract: New materials have significant impact on the development of new methods and instrumentation for chemical analysis. From the discovery of carbon nanotubes in 1991, single and multi-walled carbon nanotubes – due to their high adsorption and desorption capacities – have been employed as sorption substrates in solid-phase extraction for the preconcentration of metal species from diverse matrices. Looking for successive improvements in sensitivity and selectivity, in the past few years, carbon nanotubes have been utilized as sorbents for solid phase extraction in three different ways: like as-grown, oxidized and functionalized nanotubes. In the present paper, an overview of the recent trends in the use of carbon nanotubes for solid phase extraction of metal species in environmental, biological and food samples is presented. The determination procedures involved the adsorption of metals on the nanotube surface, their quantitative desorption and subsequent measurement by means of atomic spectrometric techniques such as flame atomic absorption spectrometry, electrothermal atomic absorption spectrometry or inductively coupled plasma atomic emission spectrometry/mass spectrometry, among others. Synthesis, purification and types of carbon nanotubes, as well as the diverse chemical and physical strategies for their functionalization are described. Based on 140 references, the performance and general properties of the applications of solid phase extraction based on carbon nanotubes for metal species atomic spectrometric determination are discussed.

Carbon nanotubes as solid-phase extraction sorbents prior to atomic spectrometric determination of metal species: A review

Energy Technology Data Exchange (ETDEWEB)

Herrero Latorre, C., E-mail: carlos.herrero@usc.es [Universidad de Santiago de Compostela, Dpto. Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Alfonso X el Sabio s/n, 27002 Lugo (Spain); Alvarez Mendez, J.; Barciela Garcia, J.; Garcia Martin, S.; Pena Crecente, R.M. [Universidad de Santiago de Compostela, Dpto. Quimica Analitica, Nutricion y Bromatologia, Facultad de Ciencias, Alfonso X el Sabio s/n, 27002 Lugo (Spain)

2012-10-24

Highlights: Black-Right-Pointing-Pointer The use of CNTs as sorbent for metal species in solid phase extraction has been described. Black-Right-Pointing-Pointer Physical and chemical strategies for functionalization of carbon nanotubes have been discussed. Black-Right-Pointing-Pointer Published analytical methods concerning solid phase extraction and atomic spectrometric determination have been reviewed. - Abstract: New materials have significant impact on the development of new methods and instrumentation for chemical analysis. From the discovery of carbon nanotubes in 1991, single and multi-walled carbon nanotubes - due to their high adsorption and desorption capacities - have been employed as sorption substrates in solid-phase extraction for the preconcentration of metal species from diverse matrices. Looking for successive improvements in sensitivity and selectivity, in the past few years, carbon nanotubes have been utilized as sorbents for solid phase extraction in three different ways: like as-grown, oxidized and functionalized nanotubes. In the present paper, an overview of the recent trends in the use of carbon nanotubes for solid phase extraction of metal species in environmental, biological and food samples is presented. The determination procedures involved the adsorption of metals on the nanotube surface, their quantitative desorption and subsequent measurement by means of atomic spectrometric techniques such as flame atomic absorption spectrometry, electrothermal atomic absorption spectrometry or inductively coupled plasma atomic emission spectrometry/mass spectrometry, among others. Synthesis, purification and types of carbon nanotubes, as well as the diverse chemical and physical strategies for their functionalization are described. Based on 140 references, the performance and general properties of the applications of solid phase extraction based on carbon nanotubes for metal species atomic spectrometric determination are discussed.

Carbon stable isotope-climate association in tree rings of Pinus pinaster and Pinus sylvestris in Mediterranean environments

International Nuclear Information System (INIS)

Bogino, Stella M; Bravo, Felipe

2014-01-01

Carbon isotope ratios, recorded as "1"3C/"1"2C variations in tree rings of woody species, are the result of physiological changes related to environmental conditions. The objective of this work was to analyze the association among carbon thirteen variability (δ"1"3C), climate variables and tree-ring growth of Pinus pinaster and Pinus sylvestris in central Spain. Pulverized woody material from the period 1975-1999 from four trees for each pine species was analyzed. To detect common patterns in δ"1"3C within each species and between δ"1"3C and growth indices, a principal component analysis (PCA) was performed. δ"1"3C of trees and the residual tree-ring chronologies were used at the PCA. Multilevel mixed linear models were applied between intrinsic water use efficiency (iWUE) and climate variables. Our results show an inverse significant correlation between δ"1"3C and tree-ring growth of both species. Winter and spring air moisture was negatively correlated with iWUE of Pinus pinaster. July maximum temperature was positively correlated with iWUE of Pinus sylvestris. As δ"1"3C is significantly related to climate and growth and it may be recommended as a valuable tool for tree growth dynamic analysis to withstand increasingly stressful climate conditions

Catalytic ring opening of cyclic hydrocarbons in diesel fuels

Energy Technology Data Exchange (ETDEWEB)

Calemma, V.; Ferrari, M. [Eni S.p.A., San Donato Milanese (Italy). R and M Div.; Rabl, S.; Haas, A.; Santi, D.; Weitkamp, J. [Stuttgart Univ. (Germany). Inst. of Chemical Technology

2013-11-01

An approach for high-aromatic streams upgrading, allowing to meet future diesel quality standards, is saturation of the aromatic structures followed by the selective breaking of endocyclic C-C bonds of naphthenic structures so formed to produce alkanes with the same number of carbon atoms as the starting molecule ('selective ring opening, SRO'). Although theoretically, SRO is a promising route for upgrading low-value feeds to high-quality products, in practice, it continues to be a challenge owing to its complex chemistry. Product characteristics, do not only depend on the composition of the feed, but also on the operating conditions and the nature of the catalyst. Very recently, novel catalysts ('HIgh-PErformance Ring Opening Catalysts, HIPEROCs') were developed which allow a very selective ring opening of the model compound decalin to paraffins without degradation of the carbon number. The hydroconversion of dearomatized Light Cycle Oil (DeAr-LCO) over the abovementioned catalysts resulted in a remarkable change of the chemical structure of the feed with a strong decrease of naphthenic structures with two or more condensed rings and a concomitant increase of alkyl-substituted cyclohexanes and open-chain alkanes. The changes occurring in the chemical structures of feedstock during hydroconversion resulted in a remarkable increase of the Cetane Index of the products up to 11 units. In the present contribution, we examine the main factors affecting activity and selectivity of SRO catalysts in the light of the recent literature dealing with the subject and we report on the recent advances in hydroconversion of refinery cuts such as DeAr- LCO over HIPEROCs. (orig.)

Examining the Effects of Different Ring Configurations and Equatorial Fluorine Atom Positions on CO 2 Sorption in [Cu(bpy) 2 SiF 6

KAUST Repository

Forrest, Katherine A.; Pham, Tony; Nugent, Patrick; Burd, Stephen D.; Mullen, Ashley; Wojtas, Lukasz; Zaworotko, Michael J.; Space, Brian

2013-01-01

] (bpy = 4,4′-bipyridine). This hydrophobic MOM is both water-stable and CO 2-specific with significant sorption capacity under ambient conditions. The crystal structure reveals bpy rings and equatorial fluorine atoms in multiple possible orientations

Rapid-swept CW cavity ring-down laser spectroscopy for carbon isotope analysis

International Nuclear Information System (INIS)

Tomita, Hideki; Watanabe, Kenichi; Takiguchi, Yu; Kawarabayashi, Jun; Iguchi, Tetsuo

2006-01-01

With the aim of developing a portable system for an in field isotope analysis, we investigate an isotope analysis based on rapid-swept CW cavity ring-down laser spectroscopy, in which the concentration of a chemical species is derived from its photo absorbance. Such a system can identify the isotopomer and still be constructed as a quite compact system. We have made some basic experimental measurements of the overtone absorption lines of carbon dioxide ( 12 C 16 O 2 , 13 C 16 O 2 ) by rapid-swept cavity ring-down spectroscopy with a CW infrared diode laser at 6,200 cm -1 (1.6 μm). The isotopic ratio has been obtained as (1.07±0.13)x10 -2 , in good agreement with the natural abundance within experimental uncertainty. The detection sensitivity in absorbance has been estimated to be 3x10 -8 cm -1 . (author)

The earth's ring current - Present situation and future thrusts

Science.gov (United States)

Williams, D. J.

1987-01-01

Particle distributions, currents, and the ring current situation prior to the August 1984 launch of the AMPTE Charge Composition Explorer (CCE) are discussed. CCE results which demonstrate the capability of these new measurements to pursue questions of ring current sources, energization, and transport are presented. Consideration is given to various ring current generation mechanisms which have been discussed in the literature, and a two-step generation process which to a certain extent unifies the previous mechanisms is presented. The first in-situ global observations of ring current decay as obtained through the detection of energetic neutral atoms generated by charge exchange interactions between the ring current and hydrogen geocorona are discussed, as well as the possibility of using the detection of energetic neutral atoms to obtain global images of the earth's ring current.

Heavy ion storage rings

International Nuclear Information System (INIS)

Schuch, R.

1987-01-01

A brief overview of synchrotron storage rings for heavy ions, which are presently under construction in different accelerator laboratories is given. Ions ranging from protons up to uranium ions at MeV/nucleon energies will be injected into these rings using multiturn injection from the accelerators available or being built in these laboratories. After injection, it is planned to cool the phase space distribution of the ions by merging them with cold electron beams or laser beams, or by using stochastic cooling. Some atomic physics experiments planned for these rings are presented. 35 refs

Theoretical realization of cluster-assembled hydrogen storage materials based on terminated carbon atomic chains.

Science.gov (United States)

Liu, Chun-Sheng; An, Hui; Guo, Ling-Ju; Zeng, Zhi; Ju, Xin

2011-01-14

The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorption of H(2) on the H-terminated chain, we show that two Li (Na) atoms each capping one end of the odd- or even-numbered carbon chain can hold ten H(2) molecules with optimal binding energies for room temperature storage. The hybridization of the Li 2p states with the H(2)σ orbitals contributes to the H(2) adsorption. However, the binding mechanism of the H(2) molecules on Na arises only from the polarization interaction between the charged Na atom and the H(2). Interestingly, additional H(2) molecules can be bound to the carbon atoms at the chain ends due to the charge transfer between Li 2s2p (Na 3s) and C 2p states. More importantly, dimerization of these isolated metal-capped chains does not affect the hydrogen binding energy significantly. In addition, a single chain can be stabilized effectively by the C(60) fullerenes termination. With a hydrogen uptake of ∼10 wt.% on Li-coated C(60)-C(n)-C(60) (n = 5, 8), the Li(12)C(60)-C(n)-Li(12)C(60) complex, keeping the number of adsorbed H(2) molecules per Li and stabilizing the dispersion of individual Li atoms, can serve as better building blocks of polymers than the (Li(12)C(60))(2) dimer. These findings suggest a new route to design cluster-assembled hydrogen storage materials based on terminated sp carbon chains.

Browsing affects intra-ring carbon allocation in species with contrasting wood anatomy.

Science.gov (United States)

Palacio, S; Paterson, E; Sim, A; Hester, A J; Millard, P

2011-02-01

Current knowledge on tree carbon (C) allocation to wood is particularly scarce in plants subjected to disturbance factors, such as browsing, which affects forest regeneration worldwide and has an impact on the C balance of trees. Furthermore, quantifying the degree to which tree rings are formed from freshly assimilated vs. stored carbohydrates is highly relevant for our understanding of tree C allocation. We used (13)C labelling to quantify seasonal allocation of stored C to wood formation in two species with contrasting wood anatomy: Betula pubescens Ehrh. (diffuse-porous) and Quercus petraea [Matt.] Liebl. (ring-porous). Clipping treatments (66% shoot removal, and unclipped) were applied to analyse the effect of browsing on C allocation into tree rings, plus the effects on tree growth, architecture, ring width and non-structural carbohydrates (NSCs). The relative contribution of stored C to wood formation was greater in the ring-porous (55-70%) than in the diffuse-porous species (35-60%), although each species followed different seasonal trends. Clipping did not cause a significant depletion of C stores in either species. Nonetheless, a significant increase in the proportion of stored C allocated to earlywood growth was observed in clipped birches, and this could be explained through changes in tree architecture after clipping. The size of C pools across tree species seems to be important in determining the variability of seasonal C allocation patterns to wood and their sensibility to disturbances such as browsing. Our results indicate that the observed changes in C allocation to earlywood in birch were not related to variations in the amount or concentration of NSC stores, but to changes in the seasonal availability of recently assimilated C caused by modifications in tree architecture after browsing.

Locations of oxygen, nitrogen and carbon atoms in vanadium determined by neutron diffraction

International Nuclear Information System (INIS)

Hiraga, K.; Onozuka, T.; Hirabayashi, M.

1977-01-01

The occupation sites of oxygen, nitrogen, and carbon atoms dissolved interstitially in vanadium have been determined by means of neutron diffraction with use of single crystals of VOsub(0.032), VNsub(0.013) and VCsub(0.006). It is revealed that the interstitial atoms occupy, randomly, the octahedral sites in the b.c.c. host lattice of the three crystals. Neutron diffraction is advantageous for the present purpose, since the coherent scattering amplitudes of the solute atoms are much larger than that of the vanadium atom. (Auth.)

Visualization of arrangements of carbon atoms in graphene layers by Raman mapping and atomic-resolution TEM

KAUST Repository

Cong, Chunxiao

2013-02-01

In-plane and out-of-plane arrangements of carbon atoms in graphene layers play critical roles in the fundamental physics and practical applications of these novel two-dimensional materials. Here, we report initial results on the edge/crystal orientations and stacking orders of bi-and tri-layer graphene (BLG and TLG) from Raman spectroscopy and transmission electron microscopy (TEM) experiments performed on the same sample. We introduce a new method of transferring graphene flakes onto a normal TEM grid. Using this novel method, we probed the BLG and TLG flakes that had been previously investigated by Raman scattering with high-resolution (atomic) TEM.

Surface diffusion of carbon atom and carbon dimer on Si(0 0 1) surface

International Nuclear Information System (INIS)

Zhu, J.; Pan, Z.Y.; Wang, Y.X.; Wei, Q.; Zang, L.K.; Zhou, L.; Liu, T.J.; Jiang, X.M.

2007-01-01

Carbon (C) atom and carbon dimer (C2) are known to be the main projectiles in the deposition of diamond-like carbon (DLC) films. The adsorption and diffusion of the C adatom and addimer (C2) on the fully relaxed Si(0 0 1)-(2 x 1) surface was studied by a combination of the molecular dynamics (MD) and Monte Carlo (MC) simulation. The adsorption sites of the C and C2 on the surface and the potential barriers between these sites were first determined using the semi-empirical many-body Brenner and Tersoff potential. We then estimated their hopping rates and traced their pathways. It is found that the diffusion of both C and C2 is strongly anisotropic in nature. In addition, the C adatom can diffuse a long distance on the surface while the adsorbed C2 is more likely to be confined in a local region. Thus we can expect that smoother films will be formed on the Si(0 0 1) surface with single C atoms as projectile at moderate temperature, while with C2 the films will grow in two-dimensional islands. In addition, relatively higher kinetic energy of the projectile, say, a few tens of eV, is needed to grow DLC films of higher quality. This is consistent with experimental findings

Electrochemical performance and structure evolution of core-shell nano-ring α-Fe{sub 2}O{sub 3}@Carbon anodes for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Sun, Yan-Hui, E-mail: sunyanhui0102@163.com; Liu, Shan; Zhou, Feng-Chen; Nan, Jun-Min

2016-12-30

Core-shell nano-ring α-Fe{sub 2}O{sub 3}@Carbon (CSNR) composites with different carbon content (CSNR-5%C and CSNR-13%C) are synthesized using a hydrothermal method by controlling different amounts of glucose and α-Fe{sub 2}O{sub 3} nano-rings with further annealing. The CSNR electrodes exhibit much improved specific capacity, cycling stability and rate capability compared with that of bare nano-ring α-Fe{sub 2}O{sub 3} (BNR), which is attributed to the core-shell nano-ring structure of CSNR. The carbon shell in the inner and outer surface of CSNR composite can increase electron conductivity of the electrode and inhibit the volume change of α-Fe{sub 2}O{sub 3} during discharge/charge processes, and the nano-ring structure of CSNR can buffer the volume change too. The CSNR-5%C electrode shows super high initial discharge/charge capacities of 1570/1220 mAh g{sup −1} and retains 920/897 mAh g{sup −1} after 200 cycles at 500 mA g{sup −1} (0.5C). Even at 2000 mA g{sup −1} (2C), the electrode delivers the initial capacities of 1400/900 mAh g{sup −1}, and still maintains 630/610 mAh g{sup −1} after 200 cycles. The core-shell nano-rings opened during cycling and rebuilt a new flower-like structure consisting of α-Fe{sub 2}O{sub 3}@Carbon nano-sheets. The space among the nano-sheet networks can further buffer the volume expansion of α-Fe{sub 2}O{sub 3} and facilitate the transportation of electrons and Li{sup +} ions during the charge/discharge processes, which increases the capacity and rate capability of the electrode. It is the first time that the evolution of core-shell α-Fe{sub 2}O{sub 3}@Carbon changing to flower-like networks during lithiation/de-lithiation has been reported.

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

Science.gov (United States)

Narula, Chaitanya K.; Davison, Brian H.

2015-11-13

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

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

Science.gov (United States)

Narula, Chaitanya K.; Davison, Brian H.

2018-04-17

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

Water flow in carbon-based nanoporous membranes impacted by interactions between hydrated ions and aromatic rings.

Science.gov (United States)

Liu, Jian; Shi, Guosheng; Fang, Haiping

2017-02-24

Carbon-based nanoporous membranes, such as carbon nanotubes (CNTs), graphene/graphene oxide and graphyne, have shown great potential in water desalination and purification, gas and ion separation, biosensors, and lithium-based batteries, etc. A deep understanding of the interaction between hydrated ions in an aqueous solution and the graphitic surface in systems composed of water, ions and a graphitic surface is essential for applications with carbon-based nanoporous membrane platforms. In this review, we describe the recent progress of the interaction between hydrated ions and aromatic ring structures on the carbon-based surface and its applications in the water flow in a carbon nanotube. We expect that these works can be extended to the understanding of water flow in other nanoporous membranes, such as nanoporous graphene, graphyne and stacked sheets of graphene oxide.

Carbon dioxide effects research and assessment program. Proceedings of the International Meeting on Stable Isotopes in Tree-Ring Research, New Paltz, New York, May 22-25, 1979

Energy Technology Data Exchange (ETDEWEB)

Jacoby, G [ed.

1980-12-01

Information about the past and present concentrations of CO/sub 2/ in the atmosphere and variations in climate can be obtained from measurements of stable isotopes in tree rings; specifically carbon-13, oxygen-18 and deuterium. The analysis of these stable isotopes in tree rings is a relatively new and rapidly developing field. This proceedings volume contains most of the papers presented at the meeting. The first paper gives an overview of the status of carbon-13 research. Papers relating to carbon-13 are in section I and grouped separately from the contributions on carbon-14. Although the meeting was primarily concerned with stable isotopes, all carbon isotopic analysis may be helpful in understanding the carbon-13 record in tree rings. The papers on hydrogen and oxygen isotope studies are in sections II and III respectively. The remaining sections contain papers that consider more than one isotope at a time, general topics related to isotopes, atmospheric changes and tree growth, and methods of isotopic analysis.

Superposed Redox Chemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes.

Science.gov (United States)

Zhao, Xiaolin; Qiu, Wujie; Ma, Chao; Zhao, Yingqin; Wang, Kaixue; Zhang, Wenqing; Kang, Litao; Liu, Jianjun

2018-01-24

Even though many organic cathodes have been developed and have made a significant improvement in energy density and reversibility, some organic materials always generate relatively low voltage and limited discharge capacity because their energy storage mechanism is solely based on redox reactions of limited functional groups [N-O, C═X (X = O, N, S)] linking to aromatic rings. Here, a series of cyclooctatetraene-based (C 8 H 8 ) organic molecules were demonstrated to have electrochemical activity of high-capacity and high-voltage from carbon rings by means of first-principles calculations and electronic structure analysis. Fused molecules of C 8 -C 4 -C 8 (C 16 H 12 ) and C 8 -C 4 -C 8 -C 4 -C 8 (C 24 H 16 ) contain, respectively, four and eight electron-deficient carbons, generating high-capacity by their multiple redox reactions. Our sodiation calculations predict that C 16 H 12 and C 24 H 16 exhibit discharge capacities of 525.3 and 357.2 mA h g -1 at the voltage change from 3.5 to 1.0 V and 3.7 to 1.3 V versus Na + /Na, respectively. Electronic structure analysis reveals that the high voltages are attributed to superposed electron stabilization mechanisms, including double-bond reformation and aromatization from carbon rings. High thermodynamic stability of these C 24 H 16 -based systems strongly suggests feasibility of experimental realization. The present work provides evidence that cyclooctatetraene-based organic molecules fused with the C 4 ring are promising in designing high-capacity and high-voltage organic rechargeable cathodes.

Study of absorption spectra for alkali and alkaline earth metal salts in flameless atomic absorption spectrometry using a carbon tube atomizer

International Nuclear Information System (INIS)

Yasuda, Seiji; Kakiyama, Hitoo

1975-01-01

Absorption spectra of various salts such as alkali metal salts, alkaline earth dichlorides, and ammonium halides were investigated and absorptions of some molecular species produced in the carbon tube were identified. The aqueous solution (20 μl) containing 1.0 mg/ml of each salt was placed in the carbon tube atomizer and heated in a similar manner to usual flameless atomic absorption method. D 2 -lamp was used as a continuous light source and argon gas was employed as an inert sheath gas. The spectra were obtained over the range of wavelength 200 to 350 nm. When alkali halides were feeded, the absorption spectra agreed with those of alkali halide vapors. Therefore, in such cases vapors of the alkali halides were probably produced by the sublimation or vaporization in the atomizer. The spectra of alkali perchlorates were considered to be those of alkali chlorides produced by the pyrolysis of the perchlorates in the atomizer. The absorptions of alkaline earth chlorides below 250 nm were probably due to their gaseous states. Sulfur dioxide was found to be produced by the pyrolysis of alkali sulfates, bisulfates and sulfites in the atomizer, Alkali phosphates and pyrophosphates gave almost identical spectra below 300 nm. Gamma band spectrum of nitrogen monoxide was observed from 200 to 240 nm during ashing at bout 330 0 C for alkali nitrates and nitrites. Ammonia vapor was produced from ammonium halides during drying at about 170 0 C. Although the absorptions of alkali carbonates and hydroxides were almost undetectable, the same spectra as those of alkali halides were observed by the addition of ammonium halides to the solutions of alkali compounds. This shows that alkali halides are produced in the atomizer by the addition of halide ions. (auth.)

Evidence for Quantisation in Planetary Ring Systems

OpenAIRE

WAYTE, RICHARD

2017-01-01

Absolute radial positions of the main features in Saturn's ring system have been calculated by adapting the quantum theory of atomic spectra. Fine rings superimposed upon broad rings are found to be covered by a harmonic series of the form N α A(r)1/2, where N and A are integers. Fourier analysis of the ring system shows that the spectral amplitude fits a response profile which is characteristic of a resonant system. Rings of Jupiter, Uranus and Neptune also obey the same rules. Involvement o...

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

Energy Technology Data Exchange (ETDEWEB)

Erikat, I. A., E-mail: ihsanas@yahoo.com [Department of Physics, Jerash University, Jerash-26150 (Jordan); Hamad, B. A. [Department of Physics, The University of Jordan, Amman-11942 (Jordan)

2013-11-07

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

Science.gov (United States)

Erikat, I. A.; Hamad, B. A.

2013-11-01

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir-C and Ir-Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

International Nuclear Information System (INIS)

Erikat, I. A.; Hamad, B. A.

2013-01-01

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule

Distribution of 90Sr in the tree rings of a Japanese cedar exposed to the black rain from the Nagasaki atomic bomb

International Nuclear Information System (INIS)

Katayama, Y.; Nagai, M.; Aoki, T.; Nagatomo, T.; Okada, N.

2006-01-01

Cedar sample was collected at the black rain area in Nagasaki city. A clear peak of 90 Sr/Sr was observed in the 1924-1925 rings. To investigate the mobility of Sr in a cedar tree stem, strontium chloride solution was injected into a living tree, and the distribution profiles of Sr in the stem at 8 months later were determined. The strontium moves radially through the sapwood of a cedar stem but that it almost stops at the heartwood. It was concluded that the peak in the 1924-1925 rings was due to the black rain from the Nagasaki atomic bomb. (author)

Characterization of heterocyclic rings through quantum chemical topology.

Science.gov (United States)

Griffiths, Mark Z; Popelier, Paul L A

2013-07-22

Five-membered rings are found in a myriad of molecules important in a wide range of areas such as catalysis, nutrition, and drug and agrochemical design. Systematic insight into their largely unexplored chemical space benefits from first principle calculations presented here. This study comprehensively investigates a grand total of 764 different rings, all geometry optimized at the B3LYP/6-311+G(2d,p) level, from the perspective of Quantum Chemical Topology (QCT). For the first time, a 3D space of local topological properties was introduced, in order to characterize rings compactly. This space is called RCP space, after the so-called ring critical point. This space is analogous to BCP space, named after the bond critical point, which compactly and successfully characterizes a chemical bond. The relative positions of the rings in RCP space are determined by the nature of the ring scaffold, such as the heteroatoms within the ring or the number of π-bonds. The summed atomic QCT charges of the five ring atoms revealed five features (number and type of heteroatom, number of π-bonds, substituent and substitution site) that dictate a ring's net charge. Each feature independently contributes toward a ring's net charge. Each substituent has its own distinct and systematic effect on the ring's net charge, irrespective of the ring scaffold. Therefore, this work proves the possibility of designing a ring with specific properties by fine-tuning it through manipulation of these five features.

Ultrafast atomic process in X-ray emission by using inner-shell ionization method for sodium and carbon atoms

Energy Technology Data Exchange (ETDEWEB)

Moribayashi, Kengo; Sasaki, Akira; Tajima, Toshiki [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment

1998-07-01

An ultrafast inner-shell ionization process with X-ray emission stimulated by high-intensity short-pulse X-ray is studied. Carbon and sodium atoms are treated as target matter. It is shown that atomic processes of the target determine the necessary X-ray intensity for X-ray laser emission as well as the features of X-ray laser such as wavelength and duration time. The intensity also depends on the density of initial atoms. Furthermore, we show that as the intensity of X-ray source becomes high, the multi-inner-shell ionization predominates, leading to the formation of hollow atoms. As the density of hollow atoms is increased by the pumping X-ray power, the emission of X-rays is not only of significance for high brightness X-ray measurement but also is good for X-ray lasing. New classes of experiments of pump X-ray probe and X-ray laser are suggested. (author)

DFT study of Fe-Ni core-shell nanoparticles: Stability, catalytic activity, and interaction with carbon atom for single-walled carbon nanotube growth

International Nuclear Information System (INIS)

Yang, Zhimin; Wang, Qiang; Shan, Xiaoye; Zhu, Hongjun; Li, Wei-qi; Chen, Guang-hui

2015-01-01

Metal catalysts play an important role in the nucleation and growth of single-walled carbon nanotubes (SWCNTs). It is essential for probing the nucleation and growth mechanism of SWCNTs to fundamentally understand the properties of the metal catalysts and their interaction with carbon species. In this study, we systematically studied the stability of 13- and 55-atom Fe and Fe-Ni core-shell particles as well as these particles interaction with the carbon atoms using the density functional theory calculations. Icosahedral 13- and 55-atom Fe-Ni core-shell bimetallic particles have higher stability than the corresponding monometallic Fe and Ni particles. Opposite charge transfer (or distribution) in these particles leads to the Fe surface-shell displays a positive charge, while the Ni surface-shell exhibits a negative charge. The opposite charge transfer would induce different chemical activities. Compared with the monometallic Fe and Ni particles, the core-shell bimetallic particles have weaker interaction with C atoms. More importantly, C atoms only prefer staying on the surface of the bimetallic particles. In contrast, C atoms prefer locating into the subsurface of the monometallic particles, which is more likely to form stable metal carbides. The difference of the mono- and bimetallic particles on this issue may result in different nucleation and growth mechanism of SWCNTs. Our findings provide useful insights for the design of bimetallic catalysts and a better understanding nucleation and growth mechanism of SWCNTs

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes.

Science.gov (United States)

Dong, Yao-Jun; Wang, Xue-Feng; Yang, Shuo-Wang; Wu, Xue-Mei

2014-08-21

We demonstrate that giant current and high spin rectification ratios can be achieved in atomic carbon chain devices connected between two symmetric ferromagnetic zigzag-graphene-nanoribbon electrodes. The spin dependent transport simulation is carried out by density functional theory combined with the non-equilibrium Green's function method. It is found that the transverse symmetries of the electronic wave functions in the nanoribbons and the carbon chain are critical to the spin transport modes. In the parallel magnetization configuration of two electrodes, pure spin current is observed in both linear and nonlinear regions. However, in the antiparallel configuration, the spin-up (down) current is prohibited under the positive (negative) voltage bias, which results in a spin rectification ratio of order 10(4). When edge carbon atoms are substituted with boron atoms to suppress the edge magnetization in one of the electrodes, we obtain a diode with current rectification ratio over 10(6).

Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

Science.gov (United States)

Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

2015-02-21

Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared spectra with the spectra theoretically calculated for

Structurally uniform and atomically precise carbon nanostructures

Science.gov (United States)

Segawa, Yasutomo; Ito, Hideto; Itami, Kenichiro

2016-01-01

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

Functionalization of multi-walled carbon nanotubes by epoxide ring-opening polymerization

International Nuclear Information System (INIS)

Jin Fanlong; Rhee, Kyong Yop; Park, Soo-Jin

2011-01-01

In this study, covalent functionalization of carbon nanotubes (CNTs) was accomplished by surface-initiated epoxide ring-opening polymerization. FT-IR spectra showed that polyether and epoxide group covalently attached to the sidewalls of CNTs. TGA results indicated that the polyether was successfully grown from the CNT surface, with the final products having a polymer weight percentage of ca. 14–74 wt%. The O/C ratio of CNTs increased significantly from 5.1% to 29.8% after surface functionalization of CNTs. SEM and TEM images of functionalized CNTs exhibited that the tubes were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. - Graphical abstract: Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers, forming core–shell structures with CNTs at the center. Highlights: ► CNTs were functionalized by epoxide ring-opening polymerization. ► Polyether and epoxide group covalently attached to the sidewalls of CNTs. ► Functionalized CNTs have a polymer weight percentage of ca. 14–74 wt%. ► Functionalized CNTs were enwrapped by polymer chains with thickness of several nanometers.

Storage Rings

International Nuclear Information System (INIS)

Fischer, W.

2010-01-01

Storage rings are circular machines that store particle beams at a constant energy. Beams are stored in rings without acceleration for a number of reasons (Tab. 1). Storage rings are used in high-energy, nuclear, atomic, and molecular physics, as well as for experiments in chemistry, material and life sciences. Parameters for storage rings such as particle species, energy, beam intensity, beam size, and store time vary widely depending on the application. The beam must be injected into a storage ring but may not be extracted (Fig. 1). Accelerator rings such as synchrotrons are used as storage rings before and after acceleration. Particles stored in rings include electrons and positrons; muons; protons and anti-protons; neutrons; light and heavy, positive and negative, atomic ions of various charge states; molecular and cluster ions, and neutral polar molecules. Spin polarized beams of electrons, positrons, and protons were stored. The kinetic energy of the stored particles ranges from 10 -6 eV to 3.5 x 10 12 eV (LHC, 7 x 10 12 eV planned), the number of stored particles from one (ESR) to 1015 (ISR). To store beam in rings requires bending (dipoles) and transverse focusing (quadrupoles). Higher order multipoles are used to correct chromatic aberrations, to suppress instabilities, and to compensate for nonlinear field errors of dipoles and quadrupoles. Magnetic multipole functions can be combined in magnets. Beams are stored bunched with radio frequency systems, and unbunched. The magnetic lattice and radio frequency system are designed to ensure the stability of transverse and longitudinal motion. New technologies allow for better storage rings. With strong focusing the beam pipe dimensions became much smaller than previously possible. For a given circumference superconducting magnets make higher energies possible, and superconducting radio frequency systems allow for efficient replenishment of synchrotron radiation losses of large current electron or positron beams

The Unique Hoyle State of the Carbon Atom

Directory of Open Access Journals (Sweden)

Thorvaldsen, Steinar

2015-05-01

Full Text Available The famous astronomer Fred Hoyle (1915-2001 started his research career as an atheist. Hoyle’s most important contribution to astrophysics is the theory of nucleosynthesis, i.e. the idea that chemical elements such as carbon can form in stars on the basis of hydrogen and helium. Essentially here was his prediction that the carbon core has a state with a specific energy which is precisely adapted to the basic fusion process. This result was one of the most important breakthroughs in modern astrophysics, and the so called Hoyle state has become a cornerstone for state-ofthe- art nuclear theory. The calculations he made, eventually revealed a fine-tuning of the universe. Hoyle’s work in this area supported the anthropic principle that the universe was fine-tuned so that intelligent life would be possible. It is said that what really made him conclude that creation demanded intelligence, were his calculations of the special properties of the carbon atom. This shook his atheism fundamentally [1, p. 57]. In this paper we describe this discovery.

Silicon solar cell performance deposited by diamond like carbon thin film ;Atomic oxygen effects;

Science.gov (United States)

Aghaei, Abbas Ail; Eshaghi, Akbar; Karami, Esmaeil

2017-09-01

In this research, a diamond-like carbon thin film was deposited on p-type polycrystalline silicon solar cell via plasma-enhanced chemical vapor deposition method by using methane and hydrogen gases. The effect of atomic oxygen on the functioning of silicon coated DLC thin film and silicon was investigated. Raman spectroscopy, field emission scanning electron microscopy, atomic force microscopy and attenuated total reflection-Fourier transform infrared spectroscopy were used to characterize the structure and morphology of the DLC thin film. Photocurrent-voltage characteristics of the silicon solar cell were carried out using a solar simulator. The results showed that atomic oxygen exposure induced the including oxidation, structural changes, cross-linking reactions and bond breaking of the DLC film; thus reducing the optical properties. The photocurrent-voltage characteristics showed that although the properties of the fabricated thin film were decreased after being exposed to destructive rays, when compared with solar cell without any coating, it could protect it in atomic oxygen condition enhancing solar cell efficiency up to 12%. Thus, it can be said that diamond-like carbon thin layer protect the solar cell against atomic oxygen exposure.

Carbon-hydrogen defects with a neighboring oxygen atom in n-type Si

Science.gov (United States)

Gwozdz, K.; Stübner, R.; Kolkovsky, Vl.; Weber, J.

2017-07-01

We report on the electrical activation of neutral carbon-oxygen complexes in Si by wet-chemical etching at room temperature. Two deep levels, E65 and E75, are observed by deep level transient spectroscopy in n-type Czochralski Si. The activation enthalpies of E65 and E75 are obtained as EC-0.11 eV (E65) and EC-0.13 eV (E75). The electric field dependence of their emission rates relates both levels to single acceptor states. From the analysis of the depth profiles, we conclude that the levels belong to two different defects, which contain only one hydrogen atom. A configuration is proposed, where the CH1BC defect, with hydrogen in the bond-centered position between neighboring C and Si atoms, is disturbed by interstitial oxygen in the second nearest neighbor position to substitutional carbon. The significant reduction of the CH1BC concentration in samples with high oxygen concentrations limits the use of this defect for the determination of low concentrations of substitutional carbon in Si samples.

Atomic scale mass delivery driven by bend kink in single walled carbon nanotube

International Nuclear Information System (INIS)

Kan Biao; Ding Jianning; Ling Zhiyong; Yuan Ningyi; Cheng Guanggui

2010-01-01

The possibility of atomic scale mass delivery by bend kink in single walled carbon nanotube was investigated with the aid of molecular dynamics simulation. By keeping the bending angle while moving the tube end, the encapsulated atomic scale mass such as atom, molecule and atom group were successfully delivered through the nanotube. The van der Waals interaction between the encapsulated mass and the tube wall provided the driving force for the delivery. There were no dramatic changes in the van der Waals interaction, and a smooth and steady delivery was achieved when constant loading rate was applied. The influence of temperature on the atom group delivery was also analyzed. It is found raising temperature is harmful to the smooth movement of the atom group. However, the delivery rate can be promoted under higher temperature when the atom group is situated before the kink during the delivery.

Energy of the Isolated Metastable Iron-Nickel FCC Nanocluster with a Carbon Atom in the Tetragonal Interstice.

Science.gov (United States)

Bondarenko, Natalya V; Nedolya, Anatoliy V

2017-12-01

The energy of the isolated iron-nickel nanocluster was calculated by molecular mechanics method using Lennard-Jones potential. The cluster included a carbon atom that drifted from an inside octahedral interstice to a tetrahedral interstice in [Formula: see text] direction and after that in direction to the surface. In addition, one of 14 iron atoms was replaced by a nickel atom, the position of which was changing during simulation.The energy of the nanocluster was estimated at the different interatomic distances. As a result of simulation, the optimal interatomic distances of Fe-Ni-C nanocluster was chosen for the simulation, in which height of the potential barrier was maximal and face-centered cubic (FCC) nanocluster was the most stable.It is shown that there were three main positions of a nickel atom that significantly affected nanocluster's energy.The calculation results indicated that position of the carbon atom in the octahedral interstice was more energetically favorable than tetrahedral interstice in the case of FCC nanocluster. On the other side, the potential barrier was smaller in the direction [Formula: see text] than in the direction .This indicates that there are two ways for carbon atom to drift to the surface of the nanocluster.

Transfer-free synthesis of graphene-like atomically thin carbon films on SiC by ion beam mixing technique

Science.gov (United States)

Zhang, Rui; Chen, Fenghua; Wang, Jinbin; Fu, Dejun

2018-03-01

Here we demonstrate the synthesis of graphene directly on SiC substrates at 900 °C using ion beam mixing technique with energetic carbon cluster ions on Ni/SiC structures. The thickness of 7-8 nm Ni films was evaporated on the SiC substrates, followed by C cluster ion bombarding. Carbon cluster ions C4 were bombarded at 16 keV with the dosage of 4 × 1016 atoms/cm2. After thermal annealing process Ni silicides were formed, whereas C atoms either from the decomposition of the SiC substrates or the implanted contributes to the graphene synthesis by segregating and precipitating process. The limited solubility of carbon atoms in silicides, involving SiC, Ni2Si, Ni5Si2, Ni3Si, resulted in diffusion and precipitation of carbon atoms to form graphene on top of Ni and the interface of Ni/SiC. The ion beam mixing technique provides an attractive production method of a transfer-free graphene growth on SiC and be compatible with current device fabrication.

Interplay of Nitrogen-Atom Inversion and Conformational Inversion in Enantiomerization of 1H-1-Benzazepines.

Science.gov (United States)

Ramig, Keith; Subramaniam, Gopal; Karimi, Sasan; Szalda, David J; Ko, Allen; Lam, Aaron; Li, Jeffrey; Coaderaj, Ani; Cavdar, Leyla; Bogdan, Lukasz; Kwon, Kitae; Greer, Edyta M

2016-04-15

A series of 2,4-disubstituted 1H-1-benzazepines, 2a-d, 4, and 6, were studied, varying both the substituents at C2 and C4 and at the nitrogen atom. The conformational inversion (ring-flip) and nitrogen-atom inversion (N-inversion) energetics were studied by variable-temperature NMR spectroscopy and computations. The steric bulk of the nitrogen-atom substituent was found to affect both the conformation of the azepine ring and the geometry around the nitrogen atom. Also affected were the Gibbs free energy barriers for the ring-flip and the N-inversion. When the nitrogen-atom substituent was alkyl, as in 2a-c, the geometry of the nitrogen atom was nearly planar and the azepine ring was highly puckered; the result was a relatively high-energy barrier to ring-flip and a low barrier to N-inversion. Conversely, when the nitrogen-atom substituent was a hydrogen atom, as in 2d, 4, and 6, the nitrogen atom was significantly pyramidalized and the azepine ring was less puckered; the result here was a relatively high energy barrier to N-inversion and a low barrier to ring-flip. In these N-unsubstituted compounds, it was found computationally that the lowest-energy stereodynamic process was ring-flip coupled with N-inversion, as N-inversion alone had a much higher energy barrier.

Hydrogen atom injection into carbon surfaces by comparison between Monte-Carlo, molecular dynamics and ab-initio calculations

International Nuclear Information System (INIS)

Ito, A.; Kenmotsu, T.; Kikuhara, Y.; Inai, K.; Ohya, K.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

2009-01-01

Full text: To understand the plasma-wall interaction on divertor plates, we investigate the interaction of hydrogen atoms and carbon materials used in the high heat flux components by the use of the following simulations. Monte-Carlo (MC) method based on binary collision approximation can calculate the sputtering process of hydrogen atoms on the carbon material quickly. Classical molecular dynamics (MD) method employs multi-body potential models and can treat realistic structures of crystal and molecule. The ab-initio method can calculate electron energy in quantum mechanics, which is regarded as realistic potential for atoms. In the present paper, the interaction of the hydrogen and the carbon material is investigated using the multi-scale (MC, MD and ab-initio) methods. The bombardment of hydrogen atoms onto the carbon material is simulated by the ACAT-code of the MC method, which cannot represent the structure of crystal, and the MD method using modified reactive empirical bond order (REBO) potential, which treats single crystal graphite and amorphous carbon. Consequently, we clarify that the sputtering yield and the reflection rate calculated by the ACAT-code agree with those on the amorphous carbon calculated by the MD. Moreover, there are many kinds of REBO potential for the MD. Adsorption, reflection and penetration rates between a hydrogen atom and a graphene surface are calculated by the MD simulations using the two kinds of potential model. For the incident energy of less than 1 eV, the MD simulation using the modified REBO potential, which is based on Brenner's REBO potential in 2002, shows that reflection is dominant, while the most popular Brenner's REBO potential in 1990 shows that adsorption is dominant. This reflection of the low energy injection is caused by a small potential barrier for the hydrogen atom in the modified REBO potential. The small potential barrier is confirmed by the ab-initio calculations, which are hybrid DFT (B3LYP/cc-pVDZ), ab

Atomization in graphite-furnace atomic absorption spectrometry. Peak-height method vs. integration method of measuring absorbance: carbon rod atomizer 63

International Nuclear Information System (INIS)

Sturgeon, R.E.; Chakrabarti, C.L.; Maines, I.S.; Bertels, P.C.

1975-01-01

Oscilloscopic traces of transient atomic absorption signals generated during continuous heating of a Carbon Rod Atomizer model 63 show features which are characteristic of the element being atomized. This research was undertaken to determine the significance and usefulness of the two analytically significant parameters, absorbance maximum and integrated absorbance. For measuring integrated absorbance, an electronic integrating control unit consisting of a timing circuit, a lock-in amplifier, and a digital voltmeter, which functions as a direct absorbance x second readout, has been designed, developed, and successfully tested. Oscilloscopic and recorder traces of the absorbance maximum and digital display of the integrated absorbance are simultaneously obtained. For the elements studied, Cd, Zn, Cu, Al, Sn, Mo, and V, the detection limits and the precision obtained are practically identical for both methods of measurements. The sensitivities by the integration method are about the same as, or less than, those obtained by the peak-height method, whereas the calibration curves by the former are generally linear over wider ranges of concentrations. (U.S.)

Design considerations regarding an atomizer for multi-element electrothermal atomic absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Katskov, Dmitri A., E-mail: katskovda@tut.ac.za [Department of Chemistry, Tshwane University of Technology, Private Bag X680, Pretoria 0001 (South Africa); Sadagov, Yuri M. [All-Russian Scientific Research Institute of Optical and Physical Measurements (VNIIOFI), Ozernaya St. 46, Moscow 119361 (Russian Federation)

2011-06-15

The methodology of simultaneous multi-element electrothermal atomic absorption spectrometry (ETAAS-Electrothermal Atomic Absorption Spectrometry) stipulates rigid requirements to the design and operation of the atomizer. It must provide high degree of atomization for the group of analytes, invariant respective to the vaporization kinetics and heating ramp residence time of atoms in the absorption volume and absence of memory effects from major sample components. For the low resolution spectrometer with a continuum radiation source the reduced compared to traditional ETAAS (Electrothermal Atomic Absorption Spectrometry) sensitivity should be, at least partially, compensated by creating high density of atomic vapor in the absorption pulse. The sought-for characteristics were obtained for the 18 mm in length and 2.5 mm in internal diameter longitudinally heated graphite tube atomizer furnished with 2-4.5 mg of ring shaped carbon fiber yarn collector. The collector located next to the sampling port provides large substrate area that helps to keep the sample and its residue in the central part of the tube after drying. The collector also provides a 'platform' effect that delays the vaporization and stipulates vapor release into absorption volume having already stabilized gas temperature. Due to the shape of external surface of the tube, presence of collector and rapid (about 10 {sup o}C/ms) heating, an inverse temperature distribution along the tube is attained at the beginnings of the atomization and cleaning steps. The effect is employed for cleaning of the atomizer using the set of short maximum power heating pulses. Preparation, optimal maintenance of the atomizer and its compliance to the multi-element determination requirements are evaluated and discussed. The experimental setup provides direct simultaneous determination of large group of element within 3-4 order concentration range. Limits of detection are close to those for sequential single element

Niobium(v) chloride and imidazolium bromides as efficient dual catalyst systems for the cycloaddition of carbon dioxide and propylene oxide

KAUST Repository

Wilhelm, Michael E.; Anthofer, Michael H.; Reich, Robert M.; D'Elia, Valerio; Basset, Jean-Marie; Herrmann, Wolfgang A.; Cokoja, Mirza; Kü hn, Fritz

2014-01-01

The application of niobium(v) chloride and several imidazolium bromides as catalyst systems for the cycloaddition of propylene oxide (PO) with carbon dioxide to propylene carbonate (PC) is reported. A set of 31 different imidazolium bromides has been synthesized with varying substituents at all five imidazolium ring atoms, of which 17 have not been reported before. The impact of different substitution patterns (steric and electronic changes and solubility in PO) at the imidazolium ring on the catalytic activity was investigated. The optimisation of the catalyst structure allows for the valorisation of carbon dioxide under mild reaction conditions with high reaction rates in very good yield and selectivity for PC. This journal is © the Partner Organisations 2014.

Niobium(v) chloride and imidazolium bromides as efficient dual catalyst systems for the cycloaddition of carbon dioxide and propylene oxide

KAUST Repository

Wilhelm, Michael E.

2014-02-19

The application of niobium(v) chloride and several imidazolium bromides as catalyst systems for the cycloaddition of propylene oxide (PO) with carbon dioxide to propylene carbonate (PC) is reported. A set of 31 different imidazolium bromides has been synthesized with varying substituents at all five imidazolium ring atoms, of which 17 have not been reported before. The impact of different substitution patterns (steric and electronic changes and solubility in PO) at the imidazolium ring on the catalytic activity was investigated. The optimisation of the catalyst structure allows for the valorisation of carbon dioxide under mild reaction conditions with high reaction rates in very good yield and selectivity for PC. This journal is © the Partner Organisations 2014.

Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

Science.gov (United States)

Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

2018-03-01

We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

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

International Nuclear Information System (INIS)

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

2011-01-01

The conductance of single-atom carbon chain (SACC) between two zigzag graphene nanoribbons (GNR) is studied by an efficient scheme utilizing tight-binding (TB) parameters generated via quasi-atomic minimal basis set orbitals (QUAMBOs) and non-equilibrium Green's function (NEGF). Large systems (SACC contains more than 50 atoms) are investigated and the electronic transport properties are found to correlate with SACC's parity. The SACCs provide a stable off or on state in broad energy region (0.1-1 eV) around Fermi energy. The off state is not sensitive to the length of SACC while the corresponding energy region decreases with the increase of the width of GNR. -- Highlights: → Graphene has many superior electronic properties. → First-principles calculation are accurate but limited to system size. → QUAMBOs construct tight-binding parameters with spatial localization, and then use divide-and-conquer method. → SACC (single carbon atom chain): structure and transport show even-odd parity, and long chains are studied.

Effect of thinning, fertilization with biosolids, and weather on interannual ring specific gravity and carbon accumulation of a 55-year-old Douglas-fir stand in western Washington

Energy Technology Data Exchange (ETDEWEB)

Kantavichai, R.; Briggs, D.G.; Turnblom, E.C. [Washington Univ., Seattle, WA (United States). School of Forest Resources

2010-01-15

Soil moisture deficits (SMD) cause trees to conserve water by closing stomata, which in turn limits the uptake of atmospheric carbon dioxide (CO{sub 2}) and curtails photosynthesis and wood formation. This study investigated the combined effect of temperature, precipitation, SMD, and various silviculture treatments on interannual ring specific gravity (SG). A model was developed to predict post-treatment interannual ring SG from the treatment and environmental variables. The study assumed that thinning the stand would increase SG, while fertilization with biosolids would decrease SG. The SGs associated with each treatment were then used to calculate the dry mass and carbon content associated with stem growth. Results were then compared with estimates taken from standard publications. The experiment was conducted on a 55-year old Douglas fir stand. Twelve rings were used to assess the effect of the treatments. The study showed that use of the published average to consider only carbon sequestered by tree growth distorts the comparison of management regimes. The thinning process produced logs from which long-term structures were built, and continue to sequester carbon. When product pools of stored carbon are combined with forest carbon pools, thinning and biosolids treatment regimes are preferable to other carbon storage regimes. 40 refs., 6 tabs., 2 figs.

Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis.

Science.gov (United States)

Hotta, Kinya; Chen, Xi; Paton, Robert S; Minami, Atsushi; Li, Hao; Swaminathan, Kunchithapadam; Mathews, Irimpan I; Watanabe, Kenji; Oikawa, Hideaki; Houk, Kendall N; Kim, Chu-Young

2012-03-04

Polycyclic polyether natural products have fascinated chemists and biologists alike owing to their useful biological activity, highly complex structure and intriguing biosynthetic mechanisms. Following the original proposal for the polyepoxide origin of lasalocid and isolasalocid and the experimental determination of the origins of the oxygen and carbon atoms of both lasalocid and monensin, a unified stereochemical model for the biosynthesis of polyether ionophore antibiotics was proposed. The model was based on a cascade of nucleophilic ring closures of postulated polyepoxide substrates generated by stereospecific oxidation of all-trans polyene polyketide intermediates. Shortly thereafter, a related model was proposed for the biogenesis of marine ladder toxins, involving a series of nominally disfavoured anti-Baldwin, endo-tet epoxide-ring-opening reactions. Recently, we identified Lsd19 from the Streptomyces lasaliensis gene cluster as the epoxide hydrolase responsible for the epoxide-opening cyclization of bisepoxyprelasalocid A to form lasalocid A. Here we report the X-ray crystal structure of Lsd19 in complex with its substrate and product analogue to provide the first atomic structure-to our knowledge-of a natural enzyme capable of catalysing the disfavoured epoxide-opening cyclic ether formation. On the basis of our structural and computational studies, we propose a general mechanism for the enzymatic catalysis of polyether natural product biosynthesis. © 2012 Macmillan Publishers Limited. All rights reserved

Functionalizing carbon nitride with heavy atom-free spin converters for enhanced 1 O 2 generation

Energy Technology Data Exchange (ETDEWEB)

Wu, Wenting; Han, Congcong; Zhang, Qinhua; Zhang, Qinggang; Li, Zhongtao; Gosztola, David J.; Wiederrecht, Gary P.; Wu, Mingbo

2018-05-01

advanced photosensitizers for singlet oxygen (1O2) generation. However, the intersystem crossing (ISC) process is quite insufficient in carbon nitride, limiting the 1O2 generation. Here, we report a facile and general strategy to confined benzophenone as a heavy atom-free spin converter dopant in carbon nitride via the facile copolymerization. With proper energy level matching between the heavy atom-free spin converter and various ligands based on carbon nitride precursors, the proper combination can decrease the singlet-triplet energy gap (DEST) and hence generate 1O2 effectively. Due to its significant and selectivity for 1O2 generation, the as-prepared carbon nitride-based photosensitizer shows a high selective photooxidation activity for 1,5-dihydroxy-naphthalene (1,5-DHN). The product yield reached 71.8% after irradiation for 60 min, which was higher than that of cyclometalated PtII complexes (53.6%) in homogeneous photooxidation. This study can broaden the application of carbon nitride in the field of selective heterogeneous photooxidation due to simple operation, low cost, and high efficiency, making it a strong candidate for future industrialization.

Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen

Science.gov (United States)

Nieman, Reed; Das, Anita; Aquino, Adélia J. A.; Amorim, Rodrigo G.; Machado, Francisco B. C.; Lischka, Hans

2017-01-01

Graphene is regarded as one of the most promising materials for nanoelectronics applications. Defects play an important role in modulating its electronic properties and also enhance its chemical reactivity. In this work the reactivity of single vacancies (SV) and double vacancies (DV) in reaction with a hydrogen atom Hr is studied. Because of the complicated open shell electronic structures of these defects due to dangling bonds, multireference configuration interaction (MRCI) methods are being used in combination with a previously developed defect model based on pyrene. Comparison of the stability of products derived from Csbnd Hr bond formation with different carbon atoms of the different polyaromatic hydrocarbons is made. In the single vacancy case the most stable structure is the one where the incoming hydrogen is bound to the carbon atom carrying the dangling bond. However, stable Csbnd Hr bonded structures are also observed in the five-membered ring of the single vacancy. In the double vacancy, most stable bonding of the reactant Hr atom is found in the five-membered rings. In total, Csbnd Hr bonds, corresponding to local energy minimum structures, are formed with all carbon atoms in the different defect systems and the pyrene itself. Reaction profiles for the four lowest electronic states show in the case of a single vacancy a complex picture of curve crossings and avoided crossings which will give rise to a complex nonadiabatic reaction dynamics involving several electronic states.

Synthesis of poly(2-ethyl-2-oxazoline)-b-poly(styrene) copolymers via a dual initiator route combining cationic ring-opening polymerization and atom transfer radical polymerization

NARCIS (Netherlands)

Becer, C.R.; Paulus, R.M.; ppener, S.; Hoogenboom, R.; Fustin, C.A.; Gohy, J.M.W.; Schubert, U.S.

2008-01-01

Block copolymers of 2-ethyl-2-oxazoline (EtOx) and styrene were synthesized by a combination of cationic ring-opening polymerization (CROP) and atom transfer radical polymerization (ATRP). Initially, a detailed kinetic investigation for the ?-bromoisobutyrylbromide (BrEBBr) initiated CROP of EtOx

Pore-Width-Dependent Preferential Interaction of sp2 Carbon Atoms in Cyclohexene with Graphitic Slit Pores by GCMC Simulation

Directory of Open Access Journals (Sweden)

Natsuko Kojima

2011-01-01

Full Text Available The adsorption of cyclohexene with two sp2 and four sp3 carbon atoms in graphitic slit pores was studied by performing grand canonical Monte Carlo simulation. The molecular arrangement of the cyclohexene on the graphitic carbon wall depends on the pore width. The distribution peak of the sp2 carbon is closer to the pore wall than that of the sp3 carbon except for the pore width of 0.7 nm, even though the Lennard-Jones size of the sp2 carbon is larger than that of the sp3 carbon. Thus, the difference in the interactions of the sp2 and sp3 carbon atoms of cyclohexene with the carbon pore walls is clearly observed in this study. The preferential interaction of sp2 carbon gives rise to a slight tilting of the cyclohexene molecule against the graphitic wall. This is suggestive of a π-π interaction between the sp2 carbon in the cyclohexene molecule and graphitic carbon.

Identifying Dirac cones in carbon allotropes with square symmetry

Energy Technology Data Exchange (ETDEWEB)

Wang, Jinying [College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Huang, Huaqing; Duan, Wenhui [Department of Physics, Tsinghua University, Beijing 100084 (China); Liu, Zhirong, E-mail: LiuZhiRong@pku.edu.cn [College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); State Key Laboratory for Structural Chemistry of Unstable and Stable Species and Beijing National Laboratory for Molecular Sciences (BNLMS), Peking University, Beijing 100871 (China)

2013-11-14

A theoretical study is conducted to search for Dirac cones in two-dimensional carbon allotropes with square symmetry. By enumerating the carbon atoms in a unit cell up to 12, an allotrope with octatomic rings is recognized to possess Dirac cones under a simple tight-binding approach. The obtained Dirac cones are accompanied by flat bands at the Fermi level, and the resulting massless Dirac-Weyl fermions are chiral particles with a pseudospin of S = 1, rather than the conventional S = 1/2 of graphene. The spin-1 Dirac cones are also predicted to exist in hexagonal graphene antidot lattices.

Fragmentation of neutral carbon clusters formed by high velocity atomic collision; Fragmentation d'agregats de carbone neutres formes par collision atomique a haute vitesse

Energy Technology Data Exchange (ETDEWEB)

Martinet, G

2004-05-01

The aim of this work is to understand the fragmentation of small neutral carbon clusters formed by high velocity atomic collision on atomic gas. In this experiment, the main way of deexcitation of neutral clusters formed by electron capture with ionic species is the fragmentation. To measure the channels of fragmentation, a new detection tool based on shape analysis of current pulse delivered by semiconductor detectors has been developed. For the first time, all branching ratios of neutral carbon clusters are measured in an unambiguous way for clusters size up to 10 atoms. The measurements have been compared to a statistical model in microcanonical ensemble (Microcanonical Metropolis Monte Carlo). In this model, various structural properties of carbon clusters are required. These data have been calculated with Density Functional Theory (DFT-B3LYP) to find the geometries of the clusters and then with Coupled Clusters (CCSD(T)) formalism to obtain dissociation energies and other quantities needed to compute fragmentation calculations. The experimental branching ratios have been compared to the fragmentation model which has allowed to find an energy distribution deposited in the collision. Finally, specific cluster effect has been found namely a large population of excited states. This behaviour is completely different of the atomic carbon case for which the electron capture in the ground states predominates. (author)

Assembly, destruction and manipulation of atomic, molecular and complex systems

International Nuclear Information System (INIS)

Le Padellec, Arnaud Pierre Frederic

2003-04-01

In this report for Accreditation to Supervise Researches (HDR), the author first indicates his professional curriculum (diplomas, teaching activities, responsibilities in the field of education and research, publications), and then proposes a presentation of his scientific works and researches. He notably proposes an overview of the different experimental techniques he implemented: CRYRING storage ring, confluent beams, flow post-discharge with mass spectrometry and Langmuir probe, crossed beams, and so on. He reports works dealing with the manipulation and destruction of atomic, molecular and complex systems: detachment of atomic anions by electronic impact, detachment and dissociation of small carbon aggregates by electronic impact, dissociative recombination, dissociative ionisation and excitation, creation of pairs of ions, manipulation of sodium fluoride aggregates. He finally presents research projects regarding the assembly of molecular and complex systems

Ring magnetron ionizer

International Nuclear Information System (INIS)

Alessi, J.G.

1986-01-01

A ring magnetron D - charge exchange ionizer has been built and tested. An H - current of 500 μA was extracted with an estimated H 0 density in the ionizer of 10 12 cm -3 . This exceeds the performance of ionizers presently in use on polarized H - sources. The ionizer will soon be tested with a polarized atomic beam

Thermogravimetric analysis of atomized ferromagnetic composites with multiwalled carbon nanotubes: an unusual behavior of nickel in nanospace.

Science.gov (United States)

Chen, Xu; Gupta, S; Santhanam, K S V

2014-03-01

A spin polarization of atomized ferromagnetic atoms like cobalt or nickel in nano space results in the modification of the electron configuration in the ferromagnetic atom that changes its oxidative property. We have prepared cobalt and nickel composites with multiwalled carbon nanotubes using atomized cobalt and nickel particles, for investigating their thermal oxidative behavior by thermogravimetric analysis (TGA). The composites showed the absence of a thermal oxidation in the temperature range of ambient to the break down temperature of multiwalled carbon nanotubes at 800 degrees C. At this temperature while Co composite forms cobalt oxide, the Ni composite becomes volatile that results in the divergent behavior of the two ferromagnetic compounds with a weight gain observed in TGA for Co and a loss for Ni. The mechanisms operating in the two cases are discussed in this work.

Electron transport and coherence in semiconductor quantum dots and rings

NARCIS (Netherlands)

Van der Wiel, W.G.

2002-01-01

A number of experiments on electron transport and coherence in semiconductor vertical and lateral quantum dots and semiconductor rings is described. Quantum dots are often referred to as "artificial atoms", because of their similarities with real atoms. Examples of such atom-like properties that

Participation of oxygen and carbon in formation of oxidation-induced stacking faults in monocrystalline silicon

Directory of Open Access Journals (Sweden)

Иван Федорович Червоный

2015-11-01

Full Text Available It is experimentally established, that density of oxidation-induced stacking faults (OISF in the boron doped monocrystalline silicon plates, that above, than it is more relation of oxygen atoms concentration to carbon atoms concentration in them.On research results of geometry of OISF rings in the different sections of single-crystal geometry of areas is reconstructed with their different closeness. At adjustment of the growing modes of single-crystals of silicon the increase of output of suitable product is observed

The effect of atomic hydrogen adsorption on single-walled carbon nano tubes properties

International Nuclear Information System (INIS)

Jalili, S.; Majidi, R.

2007-01-01

We investigated the adsorption of hydrogen atoms on metallic single-walled carbon nano tubes using ab initio molecular dynamics method. It was found that the geometric structures and the electronic properties of hydrogenated SWNTs can be strongly changed by varying hydrogen coverage. The circular cross sections of the CNTs were changed with different hydrogen coverage. When hydrogen is chemisorbed on the surface of the carbon nano tube, the energy gap will be appeared. This is due to the degree of the Sp 3 hybridization, and the hydrogen coverage can control the band gap of the carbon nano tube

Metal atom oxidation laser

International Nuclear Information System (INIS)

Jensen, R.J.; Rice, W.W.; Beattie, W.H.

1975-01-01

A chemical laser which operates by formation of metal or carbon atoms and reaction of such atoms with a gaseous oxidizer in an optical resonant cavity is described. The lasing species are diatomic or polyatomic in nature and are readily produced by exchange or other abstraction reactions between the metal or carbon atoms and the oxidizer. The lasing molecules may be metal or carbon monohalides or monoxides

Polarized atomic beams for targets

International Nuclear Information System (INIS)

Grueebler, W.

1984-01-01

The basic principle of the production of polarized atomic hydrogen and deuterium beams are reviewed. The status of the present available polarization, density and intensity are presented. The improvement of atomic beam density by cooling the hydrogen atoms to low velocity is discussed. The possible use of polarized atomic beams as targets in storage rings is shown. It is proposed that polarized atomic beams can be used to produce polarized gas targets with high polarization and greatly improved density

Inference on carbon atom arrangement in the turbostatic graphene layers in Tikak coal (India) by X-ray pair distribution function analysis

Energy Technology Data Exchange (ETDEWEB)

Saikia, Binoy K. [Indian Oil Corporation Ltd., West Bengal (India)

2010-07-01

This paper communicates the distribution of carbon atoms in a single poly-cyclic aromatic (PCA) layer (graphene) in Tikak coal from Assam, India. The pair distribution function (PDF) analysis performed indicates no evidence of any graphite like structure in this coal. The aromatic fraction is observed to be 74%; with the aliphatic fraction correspondingly estimated to be 26% in this coal. The average carbon atom has 2.5 nearest carbon atom neighbours at an average bond distance of 1.50{angstrom}. The average stacking height of the parallel aromatic layers (Lc) and the average diameter of the aromatic layers (La) are estimated to be 9.86 {angstrom} and 4.80 {angstrom} respectively. For this coal, the average number of stacking layers and the average number of atoms per layer are estimated to be four and eight respectively. In addition, the gamma band is observed at a d-value of 4.34{angstrom}. The comparison of the atom-pair correlation function to simulated one-dimensional structure function calculated for a model compound benzene (C{sub 6}H{sub 6}) also indicates that C{sub 6} unit is the major components in this coal. The average carbon atom has at least one and one nearest aryl and alkyl C-C atom pairs separated by 1.39 and 1.54{angstrom} respectively.

Carbon nanotube Schottky diode: an atomic perspective

International Nuclear Information System (INIS)

Bai, P; Li, E; Kurniawan, O; Koh, W S; Lam, K T

2008-01-01

The electron transport properties of semiconducting carbon nanotube (SCNT) Schottky diodes are investigated with atomic models using density functional theory and the non-equilibrium Green's function method. We model the SCNT Schottky diode as a SCNT embedded in the metal electrode, which resembles the experimental set-up. Our study reveals that the rectification behaviour of the diode is mainly due to the asymmetric electron transmission function distribution in the conduction and valence bands and can be improved by changing metal-SCNT contact geometries. The threshold voltage of the diode depends on the electron Schottky barrier height which can be tuned by altering the diameter of the SCNT. Contrary to the traditional perception, the metal-SCNT contact region exhibits better conductivity than the other parts of the diode

Analysis of mechanism of carbon removal from GaAs(1 0 0) surface by atomic hydrogen

International Nuclear Information System (INIS)

Tomkiewicz, P.; Winkler, A.; Krzywiecki, M.; Chasse, Th.; Szuber, J.

2008-01-01

Etching of carbon contaminations from the GaAs(1 0 0) surface by irradiating with atomic hydrogen, which is one of the key reactions to promote high-quality thin films growth by molecular beam epitaxy (MBE), has been investigated by mass spectrometry (MS), Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS). It is shown that during the cleaning process at room temperature a total reduction of the Auger carbon signal, accompanied by desorption of methane as major reaction product, can be observed. The reaction pathways as well as the processes responsible for the observed carbon removal are discussed in detail to give a support for etching and growth quality enhancement not only in thin films epitaxy but in all atomic hydrogen promoted gas-phase III-V semiconductor processes

Trends of 13C/12C ratios in pinyon tree rings of the American Southwest and the global carbon cycle

International Nuclear Information System (INIS)

Leavitt, S.W.; Long, A.

1986-01-01

An accurate atmospheric 13 C/ 12 C chronology can provide important constraints to models of the global carbon cycle. Trees accumulate carbon from atmospheric CO 2 into growth rings and offer potential for 13 C/ 12 C reconstructions, but results have not been reproducible. This paper presents δ 13 C curves from 5 sites, representing 20 pinyon (Pinus edulis) trees, where cores of 4 trees from each site have been pooled into a composite sample. Isotopic analysis of cellulose in 5-yr ring groups produces curves with a general trend of decreasing δ 13 C after 1800, but with pronounced short-term fluctuations superimposed upon the trend. Evidence indicates the fluctuations are strongly related to moisture availability (drought). A mean curve of the 5 δ 13 C chronologies from which the fossil-fuel component is subtracted suggests a substantial biospheric CO 2 contribution to the atmosphere since 1800

Future atomic physics researches at HIRFL-CSR

International Nuclear Information System (INIS)

Cai Xiaohong; Xia Jiawen; Zhan Wenlong

1999-01-01

A new storage ring system, HIRFL-CSR, is now in construction in the National Laboratory of Heavy Ion Research Facility of Lanzhou, China. The new facility consists of a main ring (CSRm) and an experimental ring (CSRe). With the flexibility of the production and the investigation of highly charged ions and radioactive ion beams the new HIRFL-CSR facility will make many frontier atomic physics researches possible in near future. The future physics researches at the HIRFL-CSR are now under consideration. In this paper an overview of the HIRFL-CSR project is given, and the main atomic physics programs to be carried at the HIRFL-CSR are presented. (orig.)

Above-ground woody carbon sequestration measured from tree rings is coherent with net ecosystem productivity at five eddy-covariance sites.

Science.gov (United States)

Babst, Flurin; Bouriaud, Olivier; Papale, Dario; Gielen, Bert; Janssens, Ivan A; Nikinmaa, Eero; Ibrom, Andreas; Wu, Jian; Bernhofer, Christian; Köstner, Barbara; Grünwald, Thomas; Seufert, Günther; Ciais, Philippe; Frank, David

2014-03-01

• Attempts to combine biometric and eddy-covariance (EC) quantifications of carbon allocation to different storage pools in forests have been inconsistent and variably successful in the past. • We assessed above-ground biomass changes at five long-term EC forest stations based on tree-ring width and wood density measurements, together with multiple allometric models. Measurements were validated with site-specific biomass estimates and compared with the sum of monthly CO₂ fluxes between 1997 and 2009. • Biometric measurements and seasonal net ecosystem productivity (NEP) proved largely compatible and suggested that carbon sequestered between January and July is mainly used for volume increase, whereas that taken up between August and September supports a combination of cell wall thickening and storage. The inter-annual variability in above-ground woody carbon uptake was significantly linked with wood production at the sites, ranging between 110 and 370 g C m(-2) yr(-1) , thereby accounting for 10-25% of gross primary productivity (GPP), 15-32% of terrestrial ecosystem respiration (TER) and 25-80% of NEP. • The observed seasonal partitioning of carbon used to support different wood formation processes refines our knowledge on the dynamics and magnitude of carbon allocation in forests across the major European climatic zones. It may thus contribute, for example, to improved vegetation model parameterization and provides an enhanced framework to link tree-ring parameters with EC measurements. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

Quantum decoherence in electronic current flowing through carbon nanotubes induced by thermal atomic vibrations

Science.gov (United States)

Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

2018-06-01

We theoretically investigate quantum decoherence in electronic currents flowing through metallic carbon nanotubes caused by thermal atomic vibrations using the time-dependent Schrödinger equation for an open system. We reveal that the quantum coherence of conduction electrons decays exponentially with tube length at a fixed temperature, and that the decay rate increases with temperature. We also find that the phase relaxation length due to the thermal atomic vibrations is inversely proportional to temperature.

Self-organized quantum rings : Physical characterization and theoretical modeling

NARCIS (Netherlands)

Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Koenraad, P.M.; Fomin, V.M.

2014-01-01

An adequate modeling of the self-organized quantum rings is possible only on the basis of the modern characterization of those nanostructures.We discuss an atomic-scale analysis of the indium distribution of self-organized InGaAs quantum rings (QRs). The analysis of the shape, size and composition

Co-Occurring Atomic Contacts for the Characterization of Protein Binding Hot Spots

Science.gov (United States)

Liu, Qian; Ren, Jing; Song, Jiangning; Li, Jinyan

2015-01-01

A binding hot spot is a small area at a protein-protein interface that can make significant contribution to binding free energy. This work investigates the substantial contribution made by some special co-occurring atomic contacts at a binding hot spot. A co-occurring atomic contact is a pair of atomic contacts that are close to each other with no more than three covalent-bond steps. We found that two kinds of co-occurring atomic contacts can play an important part in the accurate prediction of binding hot spot residues. One is the co-occurrence of two nearby hydrogen bonds. For example, mutations of any residue in a hydrogen bond network consisting of multiple co-occurring hydrogen bonds could disrupt the interaction considerably. The other kind of co-occurring atomic contact is the co-occurrence of a hydrophobic carbon contact and a contact between a hydrophobic carbon atom and a π ring. In fact, this co-occurrence signifies the collective effect of hydrophobic contacts. We also found that the B-factor measurements of several specific groups of amino acids are useful for the prediction of hot spots. Taking the B-factor, individual atomic contacts and the co-occurring contacts as features, we developed a new prediction method and thoroughly assessed its performance via cross-validation and independent dataset test. The results show that our method achieves higher prediction performance than well-known methods such as Robetta, FoldX and Hotpoint. We conclude that these contact descriptors, in particular the novel co-occurring atomic contacts, can be used to facilitate accurate and interpretable characterization of protein binding hot spots. PMID:26675422

A new strategy for aromatic ring alkylation in cylindrocyclophane biosynthesis.

Science.gov (United States)

Nakamura, Hitomi; Schultz, Erica E; Balskus, Emily P

2017-08-01

Alkylation of aromatic rings with alkyl halides is an important transformation in organic synthesis, yet an enzymatic equivalent is unknown. Here, we report that cylindrocyclophane biosynthesis in Cylindrospermum licheniforme ATCC 29412 involves chlorination of an unactivated carbon center by a novel halogenase, followed by a previously uncharacterized enzymatic dimerization reaction featuring sequential, stereospecific alkylations of resorcinol aromatic rings. Discovery of the enzymatic machinery underlying this unique biosynthetic carbon-carbon bond formation has implications for biocatalysis and metabolic engineering.

Status report on RIKEN Ring Cyclotron

International Nuclear Information System (INIS)

Yano, Y.

1988-01-01

This paper gives a status report on RIKEN Ring Cyclotron (RRC), successfully commissioned on December 16, 1986. The routine operation of RRC began in April, 1987, and was made until March 1988. April and May were devoted to the machine studies, and beams were delivered to the experiments from the end of May. Seven kinds of ion species from carbon to copper were used for the nuclear physics and atomic physics experiments during these one-year runs. High quality beams with transverse emittances less than 10 mm mrad, energy spread of approximately 0.1% and pulse width less than 300 psec were extracted. Since the middle of March, 1988, RRC has been shut down for extending the beam transfer lines and installing the various experimental setups. Next experimental program will start in July, 1988. The initial operational status of RRC is described as well as the running construction program of the new injector, a K70 AVF cyclotron with an external ECR ion source

Lamb shift of energy levels in quantum rings

International Nuclear Information System (INIS)

Kryuchkyan, G Yu; Kyriienko, O; Shelykh, I A

2015-01-01

We study the vacuum radiative corrections to energy levels of a confined electron in quantum rings. The calculations are provided for the Lamb shift of energy levels in a low-momentum region of virtual photons and for both one-dimensional and two-dimensional quantum rings. We show that contrary to the well known case of a hydrogen atom the value of the Lamb shift increases with the magnetic momentum quantum number m. We also investigate the dependence of the Lamb shift on magnetic flux piercing the ring and demonstrate a presence of magnetic-flux-dependent oscillations. For a one-dimensional ring the value of the shift strongly depends on the radius of the ring. It is small for semiconductor rings but can attain measurable quantities in natural organic ring-shape molecules, such as benzene, cycloalcanes and porphyrins. (paper)

Antimatter atoms

International Nuclear Information System (INIS)

Anon.

1996-01-01

In january 1996, CERN broadcasted the information of the creation of nine anti-hydrogen atoms, observed through disintegration products. The experimental facility was CERN LEAR ring. An antiproton beam scattered a xenon jet, and the resulting antimatter was first selected by its insensitivity to beam bending magnets. Their disintegration was detected in thin NaI detectors, in which the anti-atoms are at once deprived from their positron. Then, magnetic and time-of-flight spectrometers are used. (D.L.)

Ground state energy of an hydrogen atom confined in carbon nano-structures: a diffusion quantum Monte Carlo study

International Nuclear Information System (INIS)

Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.

2006-01-01

Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.

The Cryogenic Storage Ring CSR

OpenAIRE

von Hahn, Robert; Becker, Arno; Berg, Felix; Blaum, Klaus; Breitenfeldt, Christian; Fadil, Hisham; Fellenberger, Florian; Froese, Michael; George, Sebastian; Göck, Jürgen; Grieser, Manfred; Grussie, Florian; Guerin, Elisabeth A.; Heber, Oded; Herwig, Philipp

2016-01-01

An electrostatic cryogenic storage ring, CSR, for beams of anions and cations with up to 300 keV kinetic energy per unit charge has been designed, constructed, and put into operation. With a circumference of 35 m, the ion-beam vacuum chambers and all beam optics are in a cryostat and cooled by a closed-cycle liquid helium system. At temperatures as low as (5.5 ± 1) K inside the ring, storage time constants of several minutes up to almost an hour were observed for atomic and molecular, anion a...

Carbon based thirty six atom spheres

Science.gov (United States)

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

2005-09-06

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

Ring opening of epoxides with C-nucleophiles.

Science.gov (United States)

Faiz, Sadia; Zahoor, Ameer Fawad

2016-11-01

Ring opening of epoxides has been an area of interest for organic chemists, owing to their reactivity toward nucleophiles. Such reactions yield important products depending on the type of nucleophiles used. This review article covers the synthetic approaches (1991-2015) used for the ring opening of epoxides via carbon nucleophiles.

Ion-ion collisions and ion storage rings

International Nuclear Information System (INIS)

Mowat, J.R.

1988-01-01

Improved understanding of fundamental ion-ion interactions is expected to emerge from research carried out with ion storage rings. In this short survey the significant advantages and unique features that make stored ions useful targets for collision experiments are reviewed and discussed. It is pointed out that improvements to existing ion-ion experiments, as well as qualitatively new experiments, should occur over the next few years as ion storage rings become available for atomic physics. Some new experiments are suggested which are difficult if not impossible with present-day technology, but which seem feasible at storage rings facilities. (orig.)

A new storage-ring light source

Energy Technology Data Exchange (ETDEWEB)

Chao, Alex [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-06-01

A recently proposed technique in storage ring accelerators is applied to provide potential high-power sources of photon radiation. The technique is based on the steady-state microbunching (SSMB) mechanism. As examples of this application, one may consider a high-power DUV photon source for research in atomic and molecular physics or a high-power EUV radiation source for industrial lithography. A less challenging proof-of-principle test to produce IR radiation using an existing storage ring is also considered.

Recent applications of ring-rearrangement metathesis in organic synthesis

Directory of Open Access Journals (Sweden)

Sambasivarao Kotha

2015-10-01

Full Text Available Ring-rearrangement metathesis (RRM involves multiple metathesis processes such as ring-opening metathesis (ROM/ring-closing metathesis (RCM in a one-pot operation to generate complex targets. RRM delivers complex frameworks that are difficult to assemble by conventional methods. The noteworthy point about this type of protocol is multi-bond formation and it is an atom economic process. In this review, we have covered literature that appeared during the last seven years (2008–2014.

Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings

International Nuclear Information System (INIS)

Bollini, Carlos Guido; Giambiagi, Mario; Giambiagi, Myriam Segre de; Figueiredo, Aloysio Paiva de

2001-02-01

Through the graphical method proposed it is possible to set a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved if they are more than three. For 5-c rings three basic structures are required; the eventually different values are 12. Unlike the 6-c case it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings including heteroatoms the original degeneracy of benzene splits leading eventually to 60 different I ring values. (author)

Electrostrictive deformations in small carbon clusters, hydrocarbon molecules, and carbon nanotubes

International Nuclear Information System (INIS)

Cabria, I.; Lopez, M. J.; Alonso, J. A.; Amovilli, C.; March, N. H.

2006-01-01

The electrostrictive response of small carbon clusters, hydrocarbon molecules, and carbon nanotubes is investigated using the density functional theory. For ringlike carbon clusters, one can get insight on the deformations induced by an electric field from a simple two-dimensional model in which the positive charge of the carbon ions is smeared out in a circular homogeneous line of charge and the electronic density is calculated for a constant applied electric field within a two-dimensional Thomas-Fermi method. According to the Hellmann-Feynman theorem, this model predicts, for fields of about 1 V/A ring , only a small elongation of the ring clusters in the direction of the electric field. Full three-dimensional density functional calculations with an external electric field show similar small deformations in the ring carbon clusters compared to the simple model. The saturated benzene and phenanthrene hydrocarbon molecules do not experience any deformation, even under the action of relatively intense (1 V/A ring ) electric fields. In contrast, finite carbon nanotubes experience larger elongations (∼2.9%) induced by relatively weak (0.1 V/A ring ) applied electric fields. Both C-C bond length elongation and the deformation of the honeycomb structure contribute equally to the nanotube elongation. The effect of the electric field in hydrogen terminated nanotubes is reduced with respect to the nanotubes with dangling bonds in the edges

Stable optical soliton in the ring-cavity fiber system with carbon nanotube as saturable absorber

Science.gov (United States)

Li, Bang-Qing; Ma, Yu-Lan; Yang, Tie-Mei

2018-01-01

Main attention focuses on the theoretical study of the ring-cavity fiber laser system with carbon nanotubes (CNT) as saturable absorber (SA). The system is modelled as a non-standard Schrödinger equation with the coefficients blended real and imaginary numbers. New stable exact soliton solution is constructed by the bilinear transformation method for the system. The influences of the key parameters related to CNTs and SA on the optical pulse soliton are discussed in simulation. The soliton amplitude and phase can be tuned by choosing suitable parameters.

Magnetic properties of a single iron atomic chain encapsulated in armchair carbon nanotubes: A Monte Carlo study

Energy Technology Data Exchange (ETDEWEB)

Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63, 46000 Safi (Morocco); Jabar, A. [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63, 46000 Safi (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Benyoussef, A. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hlil, E.K. [Institut Néel, CNRS, Université Grenoble Alpes, 25 rue des Martyrs BP 166, 38042 Grenoble cedex 9 (France)

2017-06-15

Highlights: • Magnetic properties of Fe atom chain wrapped in armchair carbon nanotubes have been studied. • Transition temperature of iron and carbon have been calculated using Monte Carlo simulations. • The multiples magnetic hysteresis have been found. - Abstract: The magnetic properties have been investigated of FeCu{sub x}C{sub 1−x} for a Fe atom chain wrapped in armchair (N,N) carbon nanotubes (N = 4,6,8,10,12) diluted by Cu{sup 2+} ions using Monte Carlo simulations. The thermal total magnetization and magnetic susceptibility are found. The reduced transition temperatures of iron and carbon have been calculated for different N and the exchange interactions. The total magnetization is obtained for different exchange interactions and crystal field. The Magnetic hysteresis cycles are obtained for different N, the reduced temperatures and exchange interactions. The multiple magnetic hysteresis is found. This system shows it can be used as magnetic nanostructure possessing potential current and future applications in permanent magnetism, magnetic recording and spintronics.

Atomic physics at the Advanced Photon Source: Workshop report

International Nuclear Information System (INIS)

1990-10-01

The first Workshop on Atomic Physics at the Advanced Photon Source was held at Argonne National Laboratory on March 29--30, 1990. The unprecedented brightness of the Advanced Photon Source (APS) in the hard X-ray region is expected to make possible a vast array of new research opportunities for the atomic-physics community. Starting with discussions of the history and current status of the field, presentations were made on various future directions for research with hard X-rays interacting with atoms, ions, clusters, and solids. Also important were the discussions on the design and status of the four next-generation rings coming on line during the 1990's: the ALS 1.6 GeV ring at Berkeley; the ESRF 6.0-GeV ring at Grenoble (1993); the APS 7.0-GeV ring at Argonne (1995); and the SPring-8 8.0-GeV ring in Japan (1998). The participation of more than one hundred scientists from domestic as well as foreign institutions demonstrated a strong interest in this field. We plan to organize follow-up workshops in the future emphasizing specific research topics

Structure of a carbon monoxide adduct of cobalt-exchanged zeolite A (Co/sub 5.25/Na/sub 1.5/-A x 1.5CO) by neutron profile refinement

International Nuclear Information System (INIS)

Adams, J.M.; Haselden, D.A.

1984-01-01

The structure of a carbon monoxide adduct of cobalt-exchanged zeolite A, Co/sub 5.25/Na/sub 1.5/-A x 1.5CO, has been determined by Rietveld neutron profile refinement. All exchangeable cations are located in sites adjacent to the 6-ring; 3.75 of the cobalt cations sit 0.4 A inside the β-cage (Co(2)) and are arranged tetrahedrally about the eight 6-rings sites in the β-cage. The sodium cations (Na(1)) reside just inside the α-cage in sites similar to those found previously for zeolites 3A, 4A, and 5A. The remaining 1.5 cobalt cations (Co(1)) are located in sites similar to those for sodium, but they are also coordinated to the carbon monoxide molecules, which lie on, or close-to, the threefold axis which passes through the 6-ring. Inside the β-cage there is a tetrahedral aluminum complex of AlO 4 type, the oxygen atoms (O*) of which point toward six rings not occupied by cobalt cations, Co(2). Each of the oxygen atoms of this complex is involved in a hydrogen bond (2.83 A) to the 6-ring oxygen O(3). Approximately 2/3 of these bonds are of type O*-H ... O(3) and 1/3 of type O* ...H-O(3)

Diagnostics of Carbon Nanotube Formation in a Laser Produced Plume: An Investigation of the Metal Catalyst by Laser Ablation Atomic Fluorescence Spectroscopy

Science.gov (United States)

deBoer, Gary; Scott, Carl

2003-01-01

Carbon nanotubes, elongated molecular tubes with diameters of nanometers and lengths in microns, hold great promise for material science. Hopes for super strong light-weight material to be used in spacecraft design is the driving force behind nanotube work at JSC. The molecular nature of these materials requires the appropriate tools for investigation of their structure, properties, and formation. The mechanism of nanotube formation is of particular interest because it may hold keys to controlling the formation of different types of nanotubes and allow them to be produced in much greater quantities at less cost than is currently available. This summer's work involved the interpretation of data taken last summer and analyzed over the academic year. The work involved diagnostic studies of carbon nanotube formation processes occurring in a laser-produced plume. Laser ablation of metal doped graphite to produce a plasma plume in which carbon nanotubes self assemble is one method of making carbon nanotube. The laser ablation method is amenable to applying the techniques of laser spectroscopy, a powerful tool for probing the energies and dynamics of atomic and molecular species. The experimental work performed last summer involved probing one of the metal catalysts, nickel, by laser induced fluorescence. The nickel atom was studied as a function of oven temperature, probe laser wavelength, time after ablation, and position in the laser produced plume. This data along with previously obtained data on carbon was analyzed over the academic year. Interpretations of the data were developed this summer along with discussions of future work. The temperature of the oven in which the target is ablated greatly influences the amount of material ablated and the propagation of the plume. The ablation conditions and the time scale of atomic and molecular lifetimes suggest that initial ablation of the metal doped carbon target results in atomic and small molecular species. The metal

Carbon/Carbon Pistons for Internal Combustion Engines

Science.gov (United States)

Taylor, A. H.

1986-01-01

Carbon/carbon piston performs same function as aluminum pistons in reciprocating internal combustion engines while reducing weight and increasing mechanical and thermal efficiencies of engine. Carbon/carbon piston concept features low piston-to-cylinder wall clearance - so low piston rings and skirts unnecessary. Advantages possible by negligible coefficient of thermal expansion of carbon/carbon.

Electrostatic storage rings for atomic and molecular physics

International Nuclear Information System (INIS)

Schmidt, H T

2015-01-01

A significant number of electrostatic ion-storage rings have been built since the late 1990s or are currently in their construction or commisioning phases. In this short contribution, we attempt to supply an overview of these different facilities, while we also mention a selection of the electrostatic ion-beam traps that has been developed through the same time period and by some of the same research groups. (paper)

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

Energy Technology Data Exchange (ETDEWEB)

Merchant, A R; McCulloch, D; McKenzie, D R; Yin, Y; Gerstner, E G [New South Wales Univ., Kensington, NSW (Australia)

1997-12-31

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

Energy Technology Data Exchange (ETDEWEB)

Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G. [New South Wales Univ., Kensington, NSW (Australia)

1996-12-31

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp{sup 2} bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into `rings` to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C{sub 3}N{sub 4}, or any amorphous derivative of it. 16 refs., 1 tab., 5 figs.

Structural investigation of two carbon nitride solids produced by cathodic arc deposition and nitrogen implantation

International Nuclear Information System (INIS)

Merchant, A.R.; McCulloch, D.; McKenzie, D.R.; Yin, Y.; Gerstner, E.G.

1996-01-01

Carbon nitride materials have been the focus of research efforts worldwide. Most materials studied have been amorphous, with only a few groups claiming to have found a crystalline material. In this paper, carbon nitride materials prepared by two different techniques are analysed, and found to be remarkably similar in bonding and structure. The materials appear to have a primarily sp 2 bonded carbon structure with a lower bond length than found in an amorphous carbon. This is explained by nitrogen substituting into 'rings' to a saturation level of about one nitrogen per three carbon atoms. No evidence was found for a crystalline structure of formula C 3 N 4 , or any amorphous derivative of it. 16 refs., 1 tab., 5 figs

Molecular dynamics simulation of carbon nanostructures: The C60 buckminsterfullerene

International Nuclear Information System (INIS)

Laszlo, Istvan; Zsoldos, Ibolya

2012-01-01

Molecular dynamics calculations can reveal the physical and chemical properties of various carbon nanostructures or can help to devise the possible formation pathways. In our days the most well-known carbon nanostructures are the fullerenes, the nanotubes, and the graphene. The fullerenes and nanotubes can be thought of as being formed from graphene sheets, i.e., single layers of carbon atoms arranged in a honeycomb lattice. Usually the nature does not follow the mathematical constructions. Although the first time the C 60 and the C 70 were produced by laser irradiated graphite, the fullerene formation theories are based on various fragments of carbon chains and networks of pentagonal and hexagonal rings. In the present article various formation pathways for the buckminsterfullerene C 60 molecule will be presented. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Nucleophilic ring opening reactions of aziridines.

Science.gov (United States)

Akhtar, Rabia; Naqvi, Syed Ali Raza; Zahoor, Ameer Fawad; Saleem, Sameera

2018-05-04

Aziridine ring opening reactions have gained tremendous importance in the synthesis of nitrogen containing biologically active molecules. During recent years, a great effort has been put forward by scientists toward unique bond construction methodologies via ring opening of aziridines. In this regard, a wide range of chiral metal- and organo-catalyzed desymmetrization reactions of aziridines have been reported with carbon, sulfur, oxygen, nitrogen, halogen, and other nucleophiles. In this review, an outline of methodologies adopted by a number of scientists during 2013-2017 for aziridine ring opening reactions as well as their synthetic applications is described.

Modeling the Mechanical Properties of Functionalized Carbon Nanotubes and Their Composites: Design at the Atomic Level

Directory of Open Access Journals (Sweden)

Qing-Sheng Yang

2014-01-01

Full Text Available This investigation focuses on the design of functionalization configuration at the atomic level to determine the influence of atomic structure on the mechanical properties of functionalized carbon nanotubes (F-CNTs and their composites. Tension and compressive buckling behaviors of different configurations of CNTs functionalized by H atoms are studied by a molecular dynamics (MD method. It is shown that H-atom functionalization reduces Young’s modulus of CNTs, but Young’s modulus is not sensitive to the functionalization configuration. The configuration does, however, affect the tensile strength and critical buckling stress of CNTs. Further, the stress-strain relations of composites reinforced by nonfunctionalized and various functionalized CNTs are analyzed.

Electrocatalytic activity of atomic layer deposited Pt-Ru catalysts onto N-doped carbon nanotubes

NARCIS (Netherlands)

Johansson, A.-C.; Larsen, J.V.; Verheijen, M.A.; Haugshøj, K.B.; Clausen, H.; Kessels, W.M.M.; Christensen, L.H.; Thomsen, E.V.

2014-01-01

Pt-Ru catalysts of various compositions, between 0 and 100 at.% of Ru, were deposited onto N-doped multi-walled carbon nanotubes (N-CNTs) by atomic layer deposition (ALD) at 250 C. The Pt and Ru precursors were trimethyl(methylcyclopentadienyl)platinum (MeCpPtMe3) and

Effect of nitrogen plasma afterglow on the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films

Science.gov (United States)

Kayed, Kamal

2018-06-01

The aim of this paper is to investigate the relationship between the micro structure and the surface charge effect resulted during XPS surface analysis of amorphous carbon nitride thin films prepared by laser ablation method. The study results show that the charge effect coefficient (E) is not just a correction factor. We found that the changes in this coefficient value due to incorporation of nitrogen atoms into the carbon network are related to the spatial configurations of the sp2 bonded carbon atoms, order degree and sp2 clusters size. In addition, results show that the curve E vs. C(sp3)-N is a characteristic curve of the micro structure. This means that using this curve makes it easy to sorting the samples according to the micro structure (hexagonal rings or chains).

Tree-ring chronologies and stable carbon isotopic composition reveal impacts of hydro-climate change on bottomland hardwood forests of South-Central Texas

Science.gov (United States)

Deshpande, A. G.; Lafon, C. W.; Hyodo, A.; Boutton, T. W.; Moore, G. W.

2017-12-01

Over the last three decades, South-Central Texas has experienced an increase in frequency and intensity of hydro-climatic anomalies such as extreme droughts and floods. These extreme events can have negative impacts on forest health and can strongly alter a wide range of ecosystem processes. Tree increment growth in bottomland hardwood forests is influenced by droughts and floods, which affects the carbon isotope values (δ13C) in tree-ring cellulose. This study aims to assess the impacts of hydro-climate change on the growth and physiological response of bottomland hardwood forests by investigating variations in radial growth and tree-ring carbon isotopic composition. Annual ring-width chronologies for 41 years (1975-2016) were developed from 24 water oak (Quercus nigra) trees at 4 sites along a 25 km transect located in the San Bernard River watershed. The δ13C values in cellulose were measured from 4-year ring composites including years with anomalously high and low precipitation. Dendroclimatology analysis involved correlating ring-width index with precipitation records and Palmer Drought Sensitivity Index (PDSI). Radial growth was more closely associated with spring-summer (Feb-Aug) precipitation (R2 = 0.42, pstress, as indicated by narrower growth rings and increased cellulose δ13C. However, the inter-site variation in δ13C indicated large hydro-climatic variation between sites (2.79-4.24‰ for wet years and 0.53-1.50‰ for drought years). δ13C values showed an increase of 0.78‰ and 2.40‰ from the wettest (1991-1994) to the driest period (2008-2011) at two of our sites, possibly due to drought-induced moisture-deficit-stress. However, at the other two sites, the δ13C values of tree rings from the same periods decreased by 0.65‰ and 1.19‰, possibly emanating from flooding-induced stress caused by waterlogging. This study provides insights on how hydro-climatic variations affect riparian forest health in the region and acts as a baseline for

The Kinetics of Oxygen Atom Recombination in the Presence of Carbon Dioxide

Science.gov (United States)

Jamieson, C. S.; Garcia, R. M.; Pejakovic, D.; Kalogerakis, K.

2009-12-01

Understanding processes involving atomic oxygen is crucial for the study and modeling of composition, energy transfer, airglow, and transport dynamics in planetary atmospheres. Significant gaps and uncertainties exist in the understanding of these processes and often the relevant input from laboratory measurements is missing or outdated. We are conducting laboratory experiments to measure the rate coefficient for O + O + CO2 recombination and investigating the O2 excited states produced following the recombination. These measurements will provide key input for a quantitative understanding and reliable modeling of the atmospheres of the CO2 planets and their airglow. An excimer laser providing pulsed output at either 193 nm or 248 nm is employed to produce O atoms by dissociating carbon dioxide, nitrous oxide, or ozone. In an ambient-pressure background of CO2, O atoms recombine in a time scale of a few milliseconds. Detection of laser-induced fluorescence at 845 nm following two-photon excitation near 226 nm monitors the decay of the oxygen atom population. From the temporal evolution of the signal the recombination rate coefficient is extracted. Fluorescence spectroscopy is used to detect the products of O-atom recombination and subsequent relaxation in CO2. This work is supported by the US National Science Foundation’s (NSF) Planetary Astronomy Program. Rosanne Garcia’s participation was funded by the NSF Research Experiences for Undergraduates (REU) Program.

The RING 2.0 web server for high quality residue interaction networks.

Science.gov (United States)

Piovesan, Damiano; Minervini, Giovanni; Tosatto, Silvio C E

2016-07-08

Residue interaction networks (RINs) are an alternative way of representing protein structures where nodes are residues and arcs physico-chemical interactions. RINs have been extensively and successfully used for analysing mutation effects, protein folding, domain-domain communication and catalytic activity. Here we present RING 2.0, a new version of the RING software for the identification of covalent and non-covalent bonds in protein structures, including π-π stacking and π-cation interactions. RING 2.0 is extremely fast and generates both intra and inter-chain interactions including solvent and ligand atoms. The generated networks are very accurate and reliable thanks to a complex empirical re-parameterization of distance thresholds performed on the entire Protein Data Bank. By default, RING output is generated with optimal parameters but the web server provides an exhaustive interface to customize the calculation. The network can be visualized directly in the browser or in Cytoscape. Alternatively, the RING-Viz script for Pymol allows visualizing the interactions at atomic level in the structure. The web server and RING-Viz, together with an extensive help and tutorial, are available from URL: http://protein.bio.unipd.it/ring. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Transformation of Nickelalactones to Methyl Acrylate: On the Way to a Catalytic Conversion of Carbon Dioxide

KAUST Repository

Lee, S. Y. Tina

2011-08-26

Mu-nick: The methyl iodide-mediated ring opening of nickelalactones, which can be formed by oxidative coupling of carbon dioxide and ethylene at Ni 0 complexes, induces β-H elimination, producing methyl acrylate in yields of up to 56 %. This reaction is found to be very sensitive to the ligands coordinated to the central nickel atom. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Natural product-like virtual libraries: recursive atom-based enumeration.

Science.gov (United States)

Yu, Melvin J

2011-03-28

A new molecular enumerator is described that allows chemically and architecturally diverse sets of natural product-like and drug-like structures to be generated from a core structure as simple as a single carbon atom or as complex as a polycyclic ring system. Integrated with a rudimentary machine-learning algorithm, the enumerator has the ability to assemble biased virtual libraries enriched in compounds predicted to meet target criteria. The ability to dynamically generate relatively small focused libraries in a recursive manner could reduce the computational time and infrastructure necessary to construct and manage extremely large static libraries. Depending on enumeration conditions, natural product-like structures can be produced with a wide range of heterocyclic and alicyclic ring assemblies. Because natural products represent a proven source of validated structures for identifying and designing new drug candidates, mimicking the structural and topological diversity found in nature with a dynamic set of virtual natural product-like compounds may facilitate the creation of new ideas for novel, biologically relevant lead structures in areas of uncharted chemical space.

Rational Design of Single Molybdenum Atoms Anchored on N-Doped Carbon for Effective Hydrogen Evolution Reaction.

Science.gov (United States)

Chen, Wenxing; Pei, Jiajing; He, Chun-Ting; Wan, Jiawei; Ren, Hanlin; Zhu, Youqi; Wang, Yu; Dong, Juncai; Tian, Shubo; Cheong, Weng-Chon; Lu, Siqi; Zheng, Lirong; Zheng, Xusheng; Yan, Wensheng; Zhuang, Zhongbin; Chen, Chen; Peng, Qing; Wang, Dingsheng; Li, Yadong

2017-12-11

The highly efficient electrochemical hydrogen evolution reaction (HER) provides a promising pathway to resolve energy and environment problems. An electrocatalyst was designed with single Mo atoms (Mo-SAs) supported on N-doped carbon having outstanding HER performance. The structure of the catalyst was probed by aberration-corrected scanning transmission electron microscopy (AC-STEM) and X-ray absorption fine structure (XAFS) spectroscopy, indicating the formation of Mo-SAs anchored with one nitrogen atom and two carbon atoms (Mo 1 N 1 C 2 ). Importantly, the Mo 1 N 1 C 2 catalyst displayed much more excellent activity compared with Mo 2 C and MoN, and better stability than commercial Pt/C. Density functional theory (DFT) calculation revealed that the unique structure of Mo 1 N 1 C 2 moiety played a crucial effect to improve the HER performance. This work opens up new opportunities for the preparation and application of highly active and stable Mo-based HER catalysts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Capturing spiral radial growth of conifers using the superellipse to model tree-ring geometric shape.

Science.gov (United States)

Shi, Pei-Jian; Huang, Jian-Guo; Hui, Cang; Grissino-Mayer, Henri D; Tardif, Jacques C; Zhai, Li-Hong; Wang, Fu-Sheng; Li, Bai-Lian

2015-01-01

Tree-rings are often assumed to approximate a circular shape when estimating forest productivity and carbon dynamics. However, tree rings are rarely, if ever, circular, thereby possibly resulting in under- or over-estimation in forest productivity and carbon sequestration. Given the crucial role played by tree ring data in assessing forest productivity and carbon storage within a context of global change, it is particularly important that mathematical models adequately render cross-sectional area increment derived from tree rings. We modeled the geometric shape of tree rings using the superellipse equation and checked its validation based on the theoretical simulation and six actual cross sections collected from three conifers. We found that the superellipse better describes the geometric shape of tree rings than the circle commonly used. We showed that a spiral growth trend exists on the radial section over time, which might be closely related to spiral grain along the longitudinal axis. The superellipse generally had higher accuracy than the circle in predicting the basal area increment, resulting in an improved estimate for the basal area. The superellipse may allow better assessing forest productivity and carbon storage in terrestrial forest ecosystems.

Polarized gas targets for storage rings

International Nuclear Information System (INIS)

Holt, R.J.

1990-01-01

It is widely recognized that polarized gas targets in electron storage rings represent a new opportunity for precision nuclear physics studies. New developments in polarized target technology specific to internal applications will be discussed. In particular, polarized gas targets have been used in the VEPP-3 electron ring in Novosibirsk. A simple storage cell was used to increase the total target thickness by a factor of 15 over the simple gas jet target from an atomic beam source. Results from the initial phase of this project will be reported. In addition, the plans for increasing the luminosity by an additional order or magnitude will be presented. The application of this work to polarized hydrogen and deuterium targets for the HERA ring will be noted. The influence of beam-induced depolarization, a phenomena encountered in short-pulse electron storage rings, will be discussed. Finally, the performance tests of laser-driven sources will be presented. 8 refs., 12 figs., 1 tab

Highly charged atomic physics at HIRFL-CSR

International Nuclear Information System (INIS)

Ma Xinwen; Wang Youde; Hou Mingdong; Jin Gengmin

1996-01-01

HIRFL-CSR is a proposed electron cooling storage ring optimized to accelerate and store beams of highly charged heavy ions. Several possibilities for advanced atomic physics studies are discussed, such as studies of electron-ion, ion-atoms, photon-ion-electron interactions and high resolution spectroscopy

Atomization process for metal powder

International Nuclear Information System (INIS)

Lagutkin, Stanislav; Achelis, Lydia; Sheikhaliev, Sheikhali; Uhlenwinkel, Volker; Srivastava, Vikas

2004-01-01

A new atomization process has been developed, which combines pressure and gas atomization. The melt leaves the pressure nozzle as a hollow thin film cone. After the pre-filming step, the melt is atomized by a gas stream delivered by a ring nozzle. The objectives of this investigation are to achieve a narrow size distribution and low specific gas consumption compared to conventional gas atomization techniques. Both lead to a higher efficiency and low costs. Tin and some alloys have been atomized successfully with this technique. The mass median diameters from different experiments are between 20 and 100 μm. Sieving analysis of the tin powder shows close particle size distributions

Noncontact atomic force microscopy in liquid environment with quartz tuning fork and carbon nanotube probe

DEFF Research Database (Denmark)

Kageshima, M.; Jensenius, Henriette; Dienwiebel, M.

2002-01-01

A force sensor for noncontact atomic force microscopy in liquid environment was developed by combining a multiwalled carbon nanotube (MWNT) probe with a quartz tuning fork. Solvation shells of octamethylcyclotetrasiloxane surface were detected both in the frequency shift and dissipation. Due to t...

Removal of residual functionalized ionic liquids from water by ultrasound-assisted zero-valent iron/activated carbon.

Science.gov (United States)

Zhou, Haimei; Lv, Ping; Qi, Hang; Ma, Jinqi; Wang, Jianji

2018-03-02

Numerous applications of ionic liquids (ILs) are often accompanied by the generation of aqueous wastes. Due to the high toxicity and poor biodegradability of ILs, effective chemical treatment is of great importance for their removal from aqueous solution. In this work, an ultrasound-assisted zero-valent iron/activated carbon (US-ZVI/AC) micro-electrolysis technique was used to degrade residual functionalized ILs, 1-butyl-3-methyl benzimidazolium bromide ([BMBIM]Br) and 1-allyl-3-methylimidazolium chloride ([AMIM]Cl) in aqueous solution, and the degradation degree, degradation kinetics and possible degradation pathways were investigated. It was shown that the degradation of these functionalized ILs was highly efficient in the US-ZVI/AC system, and the degradation degree was as high as 96.1% and 92.9% in 110 min for [BMBIM]Br and [AMIM]Cl, respectively. The degradation of [BMBIM]Br could be described by the second-order kinetics model, and [BMBIM] + was decomposed in two ways: (i) sequential cleavage of N-alkyl side chain of the cation produced three intermediates; (ii) the 2-positioned H atoms of the benzimidazolium ring were first oxidized, and then the imidazolium ring was opened. The degradation of [AMIM]Cl followed the first-order kinetics rule, and the 2,4,5-positioned H atoms of the imidazolium ring were oxidized to induce ring opening. In addition, the removal of total organic carbon was found to be >87%, which indicates that most of the ILs was mineralized in the degradation process. These results suggest that ultrasound-assisted ZVI/AC micro-electrolysis is highly effective for the removal of residual functionalized ILs from aqueous environment.

Functionalized Carbon Nanotubes Produced by APCVD using Camphor

Directory of Open Access Journals (Sweden)

A. H. Mahdizadeh Moghaddam

2015-01-01

Full Text Available A simple chemical vapor deposition technique at atmospheric pressure (APCVD is adopted to synthesize the aligned arrays of functionalized multi-walled carbon nanotubes (AMWCNTs without using any carrier gas, at 230◦C, 750◦C and 850 ◦C. Camphor (C10H16O is used as carbon source because this botanical hydrocarbon is chip and abundant which convert the CVD technique to a green method for production of carbon nanotubes (CNTs. The oxygen atoms in camphor oxidize the amorphous carbons and create hydroxyl functional groups in AMWCNTs. The molecular structure of camphor lead to form hexagonal and pentagonal carbon rings which increase the growth rate and alignment of MWCNTs. In this work, AMWCNTs are grown on silicon substrate, copper, and quartz. The synthesized AMWCNTs are characterized by scanning electron microscopy (SEM, Fourier transform infrared (FTIR and transmission electron microscopy (TEM. The SEM results show that the deposited CNTs are formed in vertical aligned arrays and each has a functional OH group which is seen in FTIR spectroscopy results.

Atomic force microscopy and scanning electron microscopy analysis of daily disposable limbal ring contact lenses.

Science.gov (United States)

Lorenz, Kathrine Osborn; Kakkassery, Joseph; Boree, Danielle; Pinto, David

2014-09-01

Limbal ring (also known as 'circle') contact lenses are becoming increasingly popular, especially in Asian markets because of their eye-enhancing effects. The pigment particles that give the eye-enhancing effects of these lenses can be found on the front or back surface of the contact lens or 'enclosed' within the lens matrix. The purpose of this research was to evaluate the pigment location and surface roughness of seven types of 'circle' contact lenses. Scanning electron microscopic (SEM) analysis was performed using a variable pressure Hitachi S3400N instrument to discern the placement of lens pigments. Atomic force microscopy (Dimension Icon AFM from Bruker Nano) was used to determine the surface roughness of the pigmented regions of the contact lenses. Atomic force microscopic analysis was performed in fluid phase under contact mode using a Sharp Nitride Lever probe (SNL-10) with a spring constant of 0.06 N/m. Root mean square (RMS) roughness values were analysed using a generalised linear mixed model with a log-normal distribution. Least square means and their corresponding 95% confidence intervals were estimated for each brand, location and pigment combination. SEM cross-sectional images at 500× and 2,000× magnification showed pigment on the surface of six of the seven lens types tested. The mean depth of pigment for 1-DAY ACUVUE DEFINE (1DAD) lenses was 8.1 μm below the surface of the lens, while the remaining lens types tested had pigment particles on the front or back surface. Results of the atomic force microscopic analysis indicated that 1DAD lenses had significantly lower root mean square roughness values in the pigmented area of the lens than the other lens types tested. SEM and AFM analysis revealed pigment on the surface of the lens for all types tested with the exception of 1DAD. Further research is required to determine if the difference in pigment location influences on-eye performance. © 2014 The Authors. Clinical and Experimental

Carbon Co-Deposition During Gas Reduction of Water-Atomized Fe-Cr-Mo Powder

Directory of Open Access Journals (Sweden)

Ali B.

2017-06-01

Full Text Available The water atomization of iron powder with a composition of Fe-3Cr-0.5Mo (wt.% at 1600°C and 150 bar creates an oxide layer, which in this study was reduced using a mixture of methane (CH4 and argon (Ar gas. The lowest oxygen content was achieved with a 100 cc/min flow rate of CH4, but this also resulted in a co-deposition of carbon due to the cracking of CH4. This carbon can be used directly to create high-quality, sinter hardenable steel, thereby eliminating the need for an additional mixing step prior to sintering. An exponential relationship was found to exist between the CH4 gas flow rate and carbon content of the powder, meaning that its composition can be easily controlled to suit a variety of different applications.

Ultrastrong Carbon Thin Films from Diamond to Graphene under Extreme Conditions: Probing Atomic Scale Interfacial Mechanisms to Achieve Ultralow Friction and Wear

Science.gov (United States)

2016-12-08

tribological behavior of hard carbon materials during initial sliding contact, in order to understand what controls and enables the transition from high to...publication. Our goal is to characterize and understand the atomic-scale mechanisms governing the tribological behavior (friction and wear) of hard carbon...affecting the sliding behavior of these materials, including: rehybridization from sp3 to sp2-bonding of the C atoms20, formation of bonds across the

Carbon filament beam profile monitor for high energy proton-antiproton storage rings

International Nuclear Information System (INIS)

Evans, L.R.; Shafer, R.E.

1979-01-01

The measurement of the evolution of the transverse profile of the stored beams in high energy proton storage rings such as the p-anti p colliders at CERN and at FNAL is of considerable importance. In the present note, a simple monitor is discussed which will allow almost non-destructive measurement of the profile of each individual proton and antiproton bunch separately. It is based on the flying wire technique first used at CEA and more recently at the CPS. A fine carbon filament is passed quickly through the beam, acting as a target for secondary particle production. The flux of secondary particles is measured by two scintillator telescopes, one for protons and one for antiprotons, having an angular acceptance between 30 and 100 mrad. Measurements of secondary particle production performed at FNAL in this angular range show that a very respectable flux can be expected

Quantum Electronics for Atomic Physics

CERN Document Server

Nagourney, Warren

2010-01-01

Quantum Electronics for Atomic Physics provides a course in quantum electronics for researchers in atomic physics. The book covers the usual topics, such as Gaussian beams, cavities, lasers, nonlinear optics and modulation techniques, but also includes a number of areas not usually found in a textbook on quantum electronics. It includes such practical matters as the enhancement of nonlinear processes in a build-up cavity, impedance matching into a cavity, laser frequencystabilization (including servomechanism theory), astigmatism in ring cavities, and atomic/molecular spectroscopic techniques

Charge fraction of 6.0 MeV/n heavy ions with a carbon foil: Dependence on the foil thickness and projectile atomic number

CERN Document Server

Sato, Y; Muramatsu, M; Murakami, T; Yamada, S; Kobayashi, C; Kageyama, Y; Miyoshi, T; Ogawa, H; Nakabushi, H; Fujimoto, T; Miyata, T; Sano, Y

2003-01-01

We measured the charge fraction of 6.0 MeV/n heavy ions (C, Ne, Si, Ar, Fe and Cu) with a carbon foil at the NIRS-HIMAC injector. At this energy they are stripped with a carbon foil before being injected into two synchrotron rings with a maximum energy of 800 MeV/n. In order to find the foil thickness (D sub E) at which an equilibrium charge state distribution occurs, and to study the dependence of the D sub E -values on the projectile atomic number, we measured the exit charge fractions for foil thicknesses of between 10 and 350 mu g/cm sup 2. The results showed that the D sub E -values are 21.5, 62.0, 162, 346, 121, 143 mu g/cm sup 2 for C, Ne, Si, Ar, Fe, Cu, respectively. The fraction of Ar sup 1 sup 8 sup + ions was actually improved to 33% at 320 mu g/cm sup 2 from approx 15% at 100 mu g/cm sup 2. For Fe and Cu ions, the D sub E -values were found to be only 121 and 143 mu g/cm sup 2; there is a large gap between Ar and Fe, which is related to the differences in the ratio of the binding energy of the K-...

Comparison of water-use efficiency estimates based on tree-ring carbon isotopes with simulations of a dynamic vegetation model

Science.gov (United States)

Saurer, Matthias; Renato, Spahni; Fortunat, Joos; David, Frank; Kerstin, Treydte; Rolf, Siegwolf

2015-04-01

Tree-ring d13C-based estimates of intrinsic water-use efficiency (iWUE, reflecting the ratio of assimilation A to stomatal conductance gs) generally show a strong increase during the industrial period, likely associated with the increase in atmospheric CO2. However, it is not clear, first, if tree-ring d13C-derived iWUE-values indeed reflect actual plant and ecosystem-scale variability in fluxes and, second, what physiological changes were the drivers of the observed iWUE increase, changes in A or gs or both. To address these questions, we used a complex dynamic vegetation model (LPX) that combines process-based vegetation dynamics with land-atmosphere carbon and water exchange. The analysis was conducted for three functional types, representing conifers, oaks, larch, and various sites in Europe, where tree-ring isotope data are available. The increase in iWUE over the 20th century was comparable in LPX-simulations as in tree-ring-estimates, strengthening confidence in these results. Furthermore, the results from the LPX model suggest that the cause of the iWUE increase was reduced stomatal conductance during recent decades rather than increased assimilation. High-frequency variation reflects the influence of climate, like for example the 1976 summer drought, resulting in strongly reduced A and g in the model, particularly for oak.

Localised quantum states of atomic and molecular particles physisorbed on carbon-based nanoparticles

Czech Academy of Sciences Publication Activity Database

Kaprálová-Žďánská, Petra Ruth; Trachta, Michal; Bludský, Ota; Špirko, Vladimír

2014-01-01

Roč. 141, č. 11 (2014), "114702-1"-"114702-10" ISSN 0021-9606 R&D Projects: GA ČR GAP205/11/0571; GA ČR GAP208/11/0436; GA ČR GAP208/10/0725 Institutional support: RVO:68378271 ; RVO:61388963 Keywords : periodic structure * carbon nanostructures * graphene * quantum mechanics * physisorbed Subject RIV: BG - Nuclear, Atomic and Molecular Physics , Colliders Impact factor: 2.952, year: 2014

Two Electron States in a Quantum Ring on a Sphere

International Nuclear Information System (INIS)

Kazaryan, Eduard M.; Shahnazaryan, Vanik A.; Sarkisyan, Hayk A.

2014-01-01

Two electron states in a quantum ring on a spherical surface are discussed. The problem is discussed within the frameworks of Russell–Saunders coupling scheme, that is, the spin–orbit coupling is neglected. Treating Coulomb interaction as a perturbation, the energy correction for different states is calculated. The dependence of the Coulomb interaction energy on external polar boundary angle of quantum ring is obtained. In analogue with the helium atom the concept of states exchange time is introduced, and its dependence on geometrical parameters of the ring is shown. (author)

Competition of elastic and adhesive properties of carbon nanotubes anchored to atomic force microscopy tips

International Nuclear Information System (INIS)

Bernard, Charlotte; Marsaudon, Sophie; Boisgard, Rodolphe; Aime, Jean-Pierre

2008-01-01

In this paper we address the mechanical properties of carbon nanotubes anchored to atomic force microscopy (AFM) tips in a detailed analysis of experimental results and exhaustive description of a simple model. We show that volume elastic and surface adhesive forces both contribute to the dynamical AFM experimental signals. Their respective weights depend on the nanotube properties and on an experimental parameter: the oscillation amplitude. To quantify the elastic and adhesive contributions, a simple analytical model is used. It enables analytical expressions of the resonance frequency shift and dissipation that can be measured in the atomic force microscopy dynamical frequency modulation mode. It includes the nanotube adhesive contribution to the frequency shift. Experimental data for single-wall and multi-wall carbon nanotubes compare well to the model predictions for different oscillation amplitudes. Three parameters can be extracted: the distance necessary to unstick the nanotube from the surface and two spring constants corresponding to tube compression and to the elastic force required to overcome the adhesion force

Fabrication of a complex InAs ring-and-dot structure by droplet epitaxy

International Nuclear Information System (INIS)

Noda, Takeshi; Mano, Takaaki

2008-01-01

An InAs ring structure accompanying the formation of quantum dots (QDs) was fabricated on (1 0 0)GaAs using droplet epitaxy. The QDs were located in the vicinity of the ring, due to the diffusion of In atoms from the In droplets. In addition, the dots were found to have distributed elliptically and preferentially along the [0 1 1] direction, implying that In itself prefers to diffuse along the [0 1 1] direction, which is the opposite of the favorable diffusion orientation of group III atoms on (1 0 0)GaAs under a commonly used As-stabilized growth condition. This is the first observation of a ring structure accompanying the formation of quantum dots in droplet epitaxy

Structural variations in aromatic 2π-electron three-membered rings ...

Indian Academy of Sciences (India)

Isoelectronic replacement of a carbon of the ring by other group elements is expected to retain this description. Yet, experimental observations indicate dramatic variations that exist out- side the norms of carbon chemistry. The basic unit of tetrahedral tetracoordination of carbon is not followed among many heavier elements ...

Use of synchrotron and laser radiations for present and future photoionization studies in excited atoms and ions

International Nuclear Information System (INIS)

Wuilleumier, F.J.

1984-01-01

The status of experiments in photoionization of atoms in excited states is reviewed, with emphasis given to synchrotron and laser photon sources. A technique for exciting the photoionization spectrum of Na atoms using the flux emitted from the bending magnetic of a storage ring is discussed in detail. Some problems in interpreting photoionization spectrum of Ba in the excited state, due to the presence of higher orders are considered. A design approach for a positron storage ring to produce coherent radiation in the VUV is described. It is shown that combined use of a CW dye laser and the positron storage ring will allow new progress to be made in photoionization studies of excited atoms. Some of the experiments to be carried out using the positron storage ring include: measurements of collisional ionization in rare earth metal atoms of low atomic density; photoionization measurements at lower laser powers, leading to an extension of the CW tunability range; and photoionization studies of multiply charged positive ions. 21 references

Transnitrosation of alicyclic N-nitrosamines containing a sulfur atom.

Science.gov (United States)

Inami, Keiko; Kondo, Sonoe; Ono, Yuta; Saso, Chiharu; Mochizuki, Masataka

2013-12-15

Aromatic and aliphatic nitrosamines are known to transfer a nitrosonium ion to another amine. The transnitrosation of alicyclic N-nitroso compounds generates S-nitrosothiols, which are potential nitric oxide donors in vivo. In this study, certain alicyclic N-nitroso compounds based on non-mutagenic N-nitrosoproline or N-nitrosothioproline were synthesised, and the formation of S-nitrosoglutathione (GSNO) was quantified under acidic conditions. We then investigated the effect of a sulfur atom as the substituent and as a ring component on the GSNO formation. In the presence of thiourea under acidic conditions, GSNO was formed from N-nitrosoproline and glutathione, and an N-nitroso compound containing a sulfur atom and glutathione produced GSNO without thiourea. The quantity of GSNO derived from the reaction of the N-nitrosamines containing a sulfur atom and glutathione was higher than that from the N-nitrosoproline and glutathione plus thiourea. Among the analogues that contained a sulfur atom either in the ring or as a substituent, the thiazolidines produced a slightly higher quantity of GSNO than the analogue with a thioamide group. A compound containing sulfur atoms both in the ring and as a substituent exhibited the highest activity for GSNO formation among the alicyclic N-nitrosamines tested. The results indicate that the intramolecular sulfur atom plays an important role in the transnitrosation via alicyclic N-nitroso compounds to form GSNO. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Manipulation and soldering of carbon nanotubes using atomic force microscope

International Nuclear Information System (INIS)

Kashiwase, Yuta; Ikeda, Takayuki; Oya, Takahide; Ogino, Toshio

2008-01-01

Manipulation of carbon nanotubes (CNTs) by an atomic force microscope (AFM) and soldering of CNTs using Fe oxide nanoparticles are described. We succeeded to separate a CNT bundle into two CNTs or CNT bundles, to move the separated CNT to a desirable position, and to bind it to another bundle. For the accurate manipulation, load of the AFM cantilever and frequency of the scan were carefully selected. We soldered two CNTs using an Fe oxide nanoparticle prepared from a ferritin molecule. The adhesion forces between the soldered CNTs were examined by an AFM and it was found that the CNTs were bound, though the binding force was not strong

When hydroquinone meets methoxy radical: Hydrogen abstraction reaction from the viewpoint of interacting quantum atoms.

Science.gov (United States)

Petković, Milena; Nakarada, Đura; Etinski, Mihajlo

2018-05-25

Interacting Quantum Atoms methodology is used for a detailed analysis of hydrogen abstraction reaction from hydroquinone by methoxy radical. Two pathways are analyzed, which differ in the orientation of the reactants at the corresponding transition states. Although the discrepancy between the two barriers amounts to only 2 kJ/mol, which implies that the two pathways are of comparable probability, the extent of intra-atomic and inter-atomic energy changes differs considerably. We thus demonstrated that Interacting Quantum Atoms procedure can be applied to unravel distinct energy transfer routes in seemingly similar mechanisms. Identification of energy components with the greatest contribution to the variation of the overall energy (intra-atomic and inter-atomic terms that involve hydroquinone's oxygen and the carbon atom covalently bound to it, the transferring hydrogen and methoxy radical's oxygen), is performed using the Relative energy gradient method. Additionally, the Interacting Quantum Fragments approach shed light on the nature of dominant interactions among selected fragments: both Coulomb and exchange-correlation contributions are of comparable importance when considering interactions of the transferring hydrogen atom with all other atoms, whereas the exchange-correlation term dominates interaction between methoxy radical's methyl group and hydroquinone's aromatic ring. This study represents one of the first applications of Interacting Quantum Fragments approach on first order saddle points. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Trapped atoms along nanophotonic resonators

Science.gov (United States)

Fields, Brian; Kim, May; Chang, Tzu-Han; Hung, Chen-Lung

2017-04-01

Many-body systems subject to long-range interactions have remained a very challenging topic experimentally. Ultracold atoms trapped in extreme proximity to the surface of nanophotonic structures provides a dynamic system combining the strong atom-atom interactions mediated by guided mode photons with the exquisite control implemented with trapped atom systems. The hybrid system promises pair-wise tunability of long-range interactions between atomic pseudo spins, allowing studies of quantum magnetism extending far beyond nearest neighbor interactions. In this talk, we will discuss our current status developing high quality nanophotonic ring resonators, engineered on CMOS compatible optical chips with integrated nanostructures that, in combination with a side illuminating beam, can realize stable atom traps approximately 100nm above the surface. We will report on our progress towards loading arrays of cold atoms near the surface of these structures and studying atom-atom interaction mediated by photons with high cooperativity.

Nonlinear quantum piston for the controlled generation of vortex rings and soliton trains

KAUST Repository

Pinsker, Florian; Berloff, Natalia G.; Pé rez-Garcí a, Ví ctor M.

2013-01-01

We propose a simple way to generate nonlinear excitations in a controllable way by managing interactions in Bose-Einstein condensates. Under the action of a quantum analog of a classical piston, the condensed atoms are pushed through the trap, generating vortex rings infully three-dimensional condensates or soliton trains in quasi-one-dimensional scenarios. The vortex rings form due to transverse instability of the shock-wave train, enhanced and supported by the energy transfer between waves. We elucidate in what sense the self-interactions within the atom cloud define the properties of the generated vortex rings and soliton trains. Based on the quantum-piston scheme we study the behavior of two-component Bose-Einstein condensates and analyze how the presence of an additional superfluid influences the generation of vortex rings or solitons in the other component, and vice versa. Finally, we show the dynamical emergence of skyrmions within two-component systems in the immiscible regime. © 2013 American Physical Society.

Nonlinear quantum piston for the controlled generation of vortex rings and soliton trains

KAUST Repository

Pinsker, Florian

2013-05-29

We propose a simple way to generate nonlinear excitations in a controllable way by managing interactions in Bose-Einstein condensates. Under the action of a quantum analog of a classical piston, the condensed atoms are pushed through the trap, generating vortex rings infully three-dimensional condensates or soliton trains in quasi-one-dimensional scenarios. The vortex rings form due to transverse instability of the shock-wave train, enhanced and supported by the energy transfer between waves. We elucidate in what sense the self-interactions within the atom cloud define the properties of the generated vortex rings and soliton trains. Based on the quantum-piston scheme we study the behavior of two-component Bose-Einstein condensates and analyze how the presence of an additional superfluid influences the generation of vortex rings or solitons in the other component, and vice versa. Finally, we show the dynamical emergence of skyrmions within two-component systems in the immiscible regime. © 2013 American Physical Society.

Novamene: A new class of carbon allotropes

Directory of Open Access Journals (Sweden)

Larry A Burchfield

2017-02-01

Full Text Available We announce a new class of carbon allotropes. The basis of this new classification resides on the concept of combining hexagonal diamond (sp3 bonded carbon − lonsdaleite and ring carbon (sp2 bonded carbon − graphene. Since hexagonal diamond acts as an insulator and sp2 bonded rings act as conductors, these predicted materials have potential applications for transistors and other electronic components. We describe the structure of a proposed series of carbon allotropes, novamene, and carry out a detailed computational analysis of the structural and electronic properties of the simplest compound in this class: the single-ring novamene. In addition, we suggest how hundreds of different allotropes of carbon could be constructed within this class.

The effect of carbon nanotube chirality on the spiral flow of copper atoms in their cores

International Nuclear Information System (INIS)

Lim, M.C.G.; Zhong, Z.W.

2012-01-01

The effect of carbon nanotube (CNT) chirality on the flow of copper atoms along its core has been investigated using molecular dynamics simulations. The investigation is conducted using CNTs of different chirality, and different flow conditions such as temperatures, bias voltages and the initial positions of the copper atoms. The results show that the atoms flow in a spiral fashion along the CNT channels. The effect is most evident in the CNT channel with zigzag CNTs. The movement of the copper atoms is more erratic when the temperature is increased at a low biased voltage, regardless of the types of channel used. The initial positions of the copper atoms affect the way they converge as they move downstream along the channel. A bias voltage of 4 V favours the initiation of a spiral flow, especially when the position of the copper atoms is far from the central axis of the channel. -- Highlights: ► We model the transportation of copper atoms in armchair and zigzag CNT channels. ► The spiral flow of copper atoms occurs in a semiconductor–semiconductor CNT. ► The compact copper mass is predicted to occur at 673 K with a 4 V bias voltage.

Light and/or atomic beams to detect ultraweak gravitational effects

Directory of Open Access Journals (Sweden)

Tartaglia Angelo

2014-06-01

Full Text Available We shall review the opportunities lent by ring lasers and atomic beams interferometry in order to reveal gravitomagnetic effects on Earth. Both techniques are based on the asymmetric propagation of waves in the gravitational field of a rotating mass; actually the times of flight for co- or counter-rotating closed paths turn out to be different. After discussing properties and limitations of the two approaches we shall describe the proposed GINGER experiment which is being developed for the Gran Sasso National Laboratories in Italy. The experimental apparatus will consist of a three-dimensional array of square rings, 6m × 6m, that is planned to reach a sensitivity in the order of 1prad/√Hertz or better. This sensitivity would be one order of magnitude better than the best existing ring, which is the G-ring in Wettzell, Bavaria, and would allow for the terrestrial detection of the Lense-Thirring effect and possibly of deviations from General Relativity. The possibility of using either the ring laser approach or atomic interferometry in a space mission will also be considered. The technology problems are under experimental study using both the German G-ring and the smaller G-Pisa ring, located at the Gran Sasso.

Composition and conductance distributions of single GeSi quantum rings studied by conductive atomic force microscopy combined with selective chemical etching.

Science.gov (United States)

Lv, Y; Cui, J; Jiang, Z M; Yang, X J

2013-02-15

Atomic force microscopy imaging combined with selective chemical etching is employed to quantitatively investigate three-dimensional (3D) composition distributions of single GeSi quantum rings (QRs). In addition, the 3D quantitative composition distributions and the corresponding conductance distributions are simultaneously obtained on the same single GeSi QRs by conductive atomic force microscopy combined with selective chemical etching, allowing us to investigate the correlations between the conductance and composition distributions of single QRs. The results show that the QRs' central holes have higher Ge content, but exhibit lower conductance, indicating that the QRs' conductance distribution is not consistent with their composition distribution. By comparing the topography, composition and conductance profiles of the same single QRs before and after different etching processes, it is found that the conductance distributions of GeSi QRs do not vary with the change of composition distribution. Instead, the QRs' conductance distributions are found to be consistent with their topographic shapes, which can be supposed to be due to the shape determined electronic structures.

Which hydrogen atom of toluene protonates PAH molecules in (+)-mode APPI MS analysis?

Science.gov (United States)

Ahmed, Arif; Ghosh, Manik Kumer; Choi, Myung Chul; Choi, Cheol Ho; Kim, Sunghwan

2013-03-01

A previous study (Ahmed, A. et al., Anal. Chem. 84, 1146-1151( 2012) reported that toluene used as a solvent was the proton source for polyaromatic hydrocarbon compounds (PAHs) that were subjected to (+)-mode atmospheric-pressure photoionization. In the current study, the exact position of the hydrogen atom in the toluene molecule (either a methyl hydrogen or an aromatic ring hydrogen) involved in the formation of protonated PAH ions was investigated. Experimental analyses of benzene and anisole demonstrated that although the aromatic hydrogen atom of toluene did not contribute to the formation of protonated anthracene, it did contribute to the formation of protonated acridine. Thermochemical data and quantum mechanical calculations showed that the protonation of anthracene by an aromatic ring hydrogen atom of toluene is endothermic, while protonation by a methyl hydrogen atom is exothermic. However, protonation of acridine by either an aromatic ring hydrogen or a methyl hydrogen atom of toluene is exothermic. The different behavior of acridine and anthracene was attributed to differences in gas-phase basicity. It was concluded that both types of hydrogen in toluene can be used for protonation of PAH compounds, but a methyl hydrogen atom is preferred, especially for non-basic compounds.

Artificial atom and quantum terahertz response in carbon nanotube quantum dots

International Nuclear Information System (INIS)

Ishibashi, K; Moriyama, S; Fuse, T; Kawano, Y; Toyokawa, S; Yamaguchi, T

2008-01-01

Artificial atom behaviours have been observed in single-wall carbon nanotube (SWCNT) quantum dots (QDs). Two-electron shell structures and the Zeeman splitting of single-particle states were revealed in single-electron transport measurements in low temperatures. To demonstrate that the charging energy of the dot lies in a terahertz (THz) range, the THz photon-assisted tunnelling was tested, and was really observed as a satellite Coulomb peak. Some satellite peaks moved as a frequency was changed, but other peaks did not move. We give possible models to explain the existence of two different satellite peaks.

OEDGE modeling for the planned tungsten ring experiment on DIII-D

Directory of Open Access Journals (Sweden)

J.D. Elder

2017-08-01

Full Text Available The OEDGE code is used to model tungsten erosion and transport for experiments with toroidal rings of high-Z metal tiles in the DIII-D tokamak. Such modeling is needed for both experimental and diagnostic design to have estimates of the expected core and edge tungsten density and to understand the various factors contributing to the uncertainties in these calculations. OEDGE simulations are performed using the planned experimental magnetic geometries and plasma conditions typical of both L-mode and inter-ELM H-mode discharges in DIII-D. OEDGE plasma reconstruction based on specific representative discharges for similar geometries is used to determine the plasma conditions applied to tungsten plasma impurity simulations. A new model for tungsten erosion in OEDGE was developed which imports charge-state resolved carbon impurity fluxes and impact energies from a separate OEDGE run which models the carbon production, transport and deposition for the same plasma conditions as the tungsten simulations. These values are then used to calculate the gross tungsten physical sputtering due to carbon plasma impurities which is then added to any sputtering by deuterium ions; tungsten self-sputtering is also included. The code results are found to be dependent on the following factors: divertor geometry and closure, the choice of cross-field anomalous transport coefficients, divertor plasma conditions (affecting both tungsten source strength and transport, the choice of tungsten atomic physics data used in the model (in particular ionization rate for W-atoms, and the model of the carbon flux and energy used for calculating the tungsten source due to sputtering. Core tungsten density is found to be of order 1015m−3 (excluding effects of any core transport barrier and with significant variability depending on the other factors mentioned with density decaying into the scrape off layer. For the typical core density in the plasma conditions examined of 2 to 4�

Initial evaluation and comparison of plasma damage to atomic layer carbon materials using conventional and low T{sub e} plasma sources

Energy Technology Data Exchange (ETDEWEB)

Jagtiani, Ashish V.; Miyazoe, Hiroyuki; Chang, Josephine; Farmer, Damon B.; Engel, Michael; Neumayer, Deborah; Han, Shu-Jen; Engelmann, Sebastian U., E-mail: suengelm@us.ibm.com; Joseph, Eric A. [IBM, T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States); Boris, David R.; Hernández, Sandra C.; Walton, Scott G. [Plasma Physics Division, Naval Research Laboratory, Washington, DC 20375 (United States); Lock, Evgeniya H. [Materials Science and Technology Division, Naval Research Laboratory, Washington, DC 20375 (United States)

2016-01-15

The ability to achieve atomic layer precision is the utmost goal in the implementation of atomic layer etch technology. Carbon-based materials such as carbon nanotubes (CNTs) and graphene are single atomic layers of carbon with unique properties and, as such, represent the ultimate candidates to study the ability to process with atomic layer precision and assess impact of plasma damage to atomic layer materials. In this work, the authors use these materials to evaluate the atomic layer processing capabilities of electron beam generated plasmas. First, the authors evaluate damage to semiconducting CNTs when exposed to beam-generated plasmas and compare these results against the results using typical plasma used in semiconductor processing. The authors find that the beam generated plasma resulted in significantly lower current degradation in comparison to typical plasmas. Next, the authors evaluated the use of electron beam generated plasmas to process graphene-based devices by functionalizing graphene with fluorine, nitrogen, or oxygen to facilitate atomic layer deposition (ALD). The authors found that all adsorbed species resulted in successful ALD with varying impact on the transconductance of the graphene. Furthermore, the authors compare the ability of both beam generated plasma as well as a conventional low ion energy inductively coupled plasma (ICP) to remove silicon nitride (SiN) deposited on top of the graphene films. Our results indicate that, while both systems can remove SiN, an increase in the D/G ratio from 0.08 for unprocessed graphene to 0.22 to 0.26 for the beam generated plasma, while the ICP yielded values from 0.52 to 1.78. Generally, while some plasma-induced damage was seen for both plasma sources, a much wider process window as well as far less damage to CNTs and graphene was observed when using electron beam generated plasmas.

Determination of As in tree-rings of poplar (Populus alba L.) by U-shaped DC arc.

Science.gov (United States)

Marković, D M; Novović, I; Vilotić, D; Ignjatović, Lj

2009-04-01

An argon-stabilized U-shaped DC arc with a system for aerosol introduction was used for determination of As in poplar (Populus alba L.) tree-rings. After optimization of the operating parameters and selection of the most appropriate signal integration time (30 s), the limit of detection for As was reduced to 15.0 ng/mL. This detection limit obtained with the optimal integration time was compared with those for other methods: inductively coupled plasma-atomic emission spectrometry (ICP-AES), direct coupled plasma-atomic emission spectrometry (DCP-AES), microwave induced plasma-atomic emission spectrometry (MIP-AES) and improved thermospray flame furnace atomic absorption spectrometry (TS-FF-AAS). Arsenic is toxic trace element which can adversely affect plant, animal and human health. As an indicator of environment pollution we collected poplar tree-rings from two locations. The first area was close to the "Nikola Tesla" (TENT-A) power plant, Obrenovac, while the other was in the urban area of Novi Sad. In all cases elevated average concentrations of As were registered in poplar tree-rings from the Obrenovac location.

403 nm cavity ring-down measurements of brown carbon aerosol

Science.gov (United States)

Kwon, D.; Grassian, V. H.; Kleiber, P.; Young, M. A.

2017-12-01

Atmospheric aerosol influences Earth's climate by absorbing and scattering incoming solar radiation and outgoing terrestrial radiation. One class of secondary organic aerosol (SOA), called brown carbon (BrC), has attracted attention for its wavelength dependent light absorbing properties with absorption coefficients that generally increase from the visible (Vis) to ultraviolet (UV) regions. Here we report results from our investigation of the optical properties of BrC aerosol products from the aqueous phase reaction of ammonium sulfate (AS) with methylglyoxal (MG) using cavity ring-down spectroscopy (CRDS) at 403 nm wavelength. We have measured the optical constants of BrC SOA from the AS/MG reaction as a function of reaction time. Under dry flow conditions, we observed no apparent variation in the BrC refractive index with aging over the course of 22 days. The retrieved BrC optical constants are similar to those of AS with n = 1.52 for the real component. Despite significant UV absorption observed from the bulk BrC solution, the imaginary index value at 403 nm is below our minimum detection limit which puts an upper bound of k as 0.03. These observations are in agreement with results from our recent studies of the light scattering properties of this BrC aerosol.

Tritium labeling of simple 7-membered ring compounds

International Nuclear Information System (INIS)

Hiltunen, J.; Peng, C.T.; Yang, Z.C.

1990-01-01

Seven-membered ring compounds, from cycloheptane to complex ring structures containing heteroatoms, substituents and fused phenyl rings, were labeled with tritium, using activated and adsorbed tritium. The 7-membered ring structures are generally stable towards reactions with tritium, which allows compounds like 1-benzosuberone, 1-aza-2-methoxy-1-cycloheptane, iminostilbene and clozapine to be labeled to reasonably high specific activities. The best method varies greatly from compound to compound. By optimizing the labeling conditions and use of efficient support exceptionally good results can be obtained. The Pd-on-alumina support gives consistently higher specific activity and less radioimpurity than other supports. Even molecules containing carbon-halogen bond and hydrogen bound to nitrogen can usually be labeled with tritium at stable positions and without dehalogenation. (author)

Cluster protein structures using recurrence quantification analysis on coordinates of alpha-carbon atoms of proteins

International Nuclear Information System (INIS)

Zhou Yu; Yu Zuguo; Anh, Vo

2007-01-01

The 3-dimensional coordinates of alpha-carbon atoms of proteins are used to distinguish the protein structural classes based on recurrence quantification analysis (RQA). We consider two independent variables from RQA of coordinates of alpha-carbon atoms, %determ1 and %determ2, which were defined by Webber et al. [C.L. Webber Jr., A. Giuliani, J.P. Zbilut, A. Colosimo, Proteins Struct. Funct. Genet. 44 (2001) 292]. The variable %determ2 is used to define two new variables, %determ2 1 and %determ2 2 . Then three variables %determ1, %determ2 1 and %determ2 2 are used to construct a 3-dimensional variable space. Each protein is represented by a point in this variable space. The points corresponding to proteins from the α, β, α+β and α/β structural classes position into different areas in this variable space. In order to give a quantitative assessment of our clustering on the selected proteins, Fisher's discriminant algorithm is used. Numerical results indicate that the discriminant accuracies are very high and satisfactory

The impact of exospheric neutral dynamics on ring current decay

Science.gov (United States)

Ilie, R.; Liemohn, M. W.; Skoug, R. M.; Funsten, H. O.; Gruntman, M.; Bailey, J. J.; Toth, G.

2015-12-01

The geocorona plays an important role in the energy budget of the Earth's inner magnetosphere since charge exchange of energetic ions with exospheric neutrals makes the exosphere act as an energy sink for ring current particles. Long-term ring current decay following a magnetic storm is mainly due to these electron transfer reactions, leading to the formation energetic neutral atoms (ENAs) that leave the ring current system on ballistic trajectories. The number of ENAs emitted from a given region of space depends on several factors, such as the energy and species of the energetic ion population in that region and the density of the neutral gas with which the ions undergo charge exchange. However, the density and structure of the exosphere are strongly dependent on changes in atmospheric temperature and density as well as charge exchange with the ions of plasmaspheric origin, which depletes the geocorona (by having a neutral removed from the system). Moreover, the radiation pressure exerted by solar far-ultraviolet photons pushes the geocoronal hydrogen away from the Earth in an anti-sunward direction to form a tail of neutral hydrogen. TWINS ENA images provide a direct measurement of these ENA losses and therefore insight into the dynamics of the ring current decay through interactions with the geocorona. We assess the influence of geocoronal neutrals on ring current formation and decay by analysis of the predicted ENA emissions using 6 different geocoronal models and simulations from the HEIDI ring current model during storm time. Comparison with TWINS ENA images shows that the location of the peak ENA enhancements is highly dependent on the distribution of geocoronal hydrogen density. We show that the neutral dynamics has a strong influence on the time evolution of the ring current populations as well as on the formation of energetic neutral atoms.

Theoretical studies of zirconium and carbon clusters with molecular dynamics simulations

International Nuclear Information System (INIS)

Zhang, B.

1993-01-01

With the aim of understanding the anomalous phonon behavior near the martensitic phase transition in Zr, we have simulated the dynamics of atomic motion in the high temperature bcc phase of Zr using an embedded-atom potential. The calculated dynamical structure factors reproduce the strong asymmetry in the scattering cross-sections in different Brillouin zones observed in inelastic neutron scattering experiments. From the real-space atomic picture, we observed the phase fluctuations between bcc and low temperature phase hcp. The anomalous phonon behavior arises from the incompleteness of the phase fluctuations. Combining an efficient simulated annealing scheme for generating closed, hollow, spheroidal cage structures with a tight-binding molecular-dynamics method for energy optimization. We have systematically studied the ground-state structure of every even-numbered carbon fullerene from C 20 to C 100 . Clusters of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. Most ground-state structures of fullerenes have relatively low symmetries. In many cases, several isomers of a fullerene are found to have competitively low energies, which suggests that a mixture of these isomers can be observed in experimentally prepared samples. We also simulate the collisions between fullerene and the thermal disintegration of fullerenes. We observed three different regimes of behavior as the collisions become more and more energetic: bouncing, fusion and fragmentation. The critical energies for fusion and fragmentation as well as details of the energy transfer process during the collisions are investigated. In simulations of the thermal disintegration of fullerene cages, the most commonly observed fragments after the disintegration of the carbon cages are dimers, rings, and multiple rings. The fragmentation temperature increases almost linearly with cluster size for small cages (n ≤ 58), but remains constant for larger fullerenes

Relationship between carbon-14 concentrations in tree-ring cellulose and atmospheric CO2

International Nuclear Information System (INIS)

Yamada, Yoshimune; Yasuike, Kaeko; Komura, Kazuhisa

2008-01-01

Concentrations of organically-bound 14 C in the tree-ring cellulose of a Japanese Cedar (Cryptomeria japonica) grown in a rural region of Kanazawa, Ishikawa prefecture, Japan (36.5degN, 136.7degE), were measured for the ring-years from 1989 to 1998 to study relationship between 14 C concentrations in tree-ring cellulose and atmospheric CO 2 in a narrow region. An interesting result in comparing our data of tree-ring cellulose with those of atmospheric CO 2 is that the 14 C concentration in tree-ring cellulose was close to the corresponding average from mid-June to early September of 14 C concentrations in atmospheric CO 2 . Furthermore, the 14 C concentrations in tree-ring cellulose were found to be merely influenced by the drastic decrease of 14 C concentrations in atmospheric CO 2 in winter, which might be caused by air pollution from the Asian continent and additional local fossil fuel contribution. These results suggest that the 14 C concentration in tree-ring cellulose for a given growing year reflects the 14 C concentrations of atmospheric CO 2 during the warm summer months. (author)

APIPIS: the Atomic Physics Ion-Photon Interaction System

International Nuclear Information System (INIS)

Johnson, B.M.; Jones, K.W.; Meron, M.; Kostroun, V.O.

1985-01-01

A proposed new facility for the study of highly charged heavy ions is described. The basic elements of APIPIS, the Atomic Physics Ion-Photon Interaction System, are: (1) a source of multiply-charged ions; (2) a linear accelerator; (3) a synchrotron storage ring; and (4) a source of high brightness x rays. The placement of a heavy ion storage ring at the x-ray ring of the National Synchrotron Light Source will provide unique opportunities for the study of photo-excitation of heavy ions

Fabrication of GaAs concentric multiple quantum rings by droplet epitaxy

International Nuclear Information System (INIS)

Somaschini, C; Bietti, S; Sanguinetti, S; Koguchi, N; Fedorov, A; Abbarchi, M; Gurioli, M

2009-01-01

We present the fabrication of a novel quantum nanostructure, constituted by three concentric quantum rings by droplet epitaxy. Atomic Force Microscopy and photoluminescence characterization of these nanostructures is reported.

Influence of supersaturated carbon on the diffusion of Ni in ferrite determined by atom probe tomography

KAUST Repository

Kresse, T.; Li, Yujiao; Boll, Torben; Borchers, Christine; Choi, Pyuckpa; Al-Kassab, Talaat; Raabe, Dierk; Kirchheim, Reiner

2013-01-01

In patented and cold-drawn pearlitic steel wires dissociation of cementite occurs during mechanical deformation. In this study the influence of the carbon decomposition on the diffusion of nickel in ferrite is investigated by means of atom probe tomography. In the temperature range 423-523 K we observed a much smaller activation energy of Ni diffusion than for self-diffusion in body-centered cubic iron, indicating an increased vacancy density owing to enhanced formation of vacancy-carbon complexes. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Influence of supersaturated carbon on the diffusion of Ni in ferrite determined by atom probe tomography

KAUST Repository

Kresse, T.

2013-09-01

In patented and cold-drawn pearlitic steel wires dissociation of cementite occurs during mechanical deformation. In this study the influence of the carbon decomposition on the diffusion of nickel in ferrite is investigated by means of atom probe tomography. In the temperature range 423-523 K we observed a much smaller activation energy of Ni diffusion than for self-diffusion in body-centered cubic iron, indicating an increased vacancy density owing to enhanced formation of vacancy-carbon complexes. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Robust operation and performance of integrated carbon nanotubes atomic force microscopy probes

International Nuclear Information System (INIS)

Rius, G; Clark, I T; Yoshimura, M

2013-01-01

We present a complete characterization of carbon nanotubes-atomic force microscopy (CNT-AFM) probes to evaluate the cantilever operation and advanced properties originating from the CNTs. The fabrication consists of silicon probes tip-functionalized with multiwalled CNTs by microwave plasma enhanced chemical vapor deposition. A dedicated methodology has been defined to evaluate the effect of CNT integration into the Si cantilevers. The presence of the CNTs provides enhanced capability for sensing and durability, as demonstrated using dynamic and static modes, e.g. imaging, indentation and force/current characterization.

δ13C of Tree-Ring Lignin as an Indirect Measure of Climate Change

International Nuclear Information System (INIS)

Robertson, I.; Loader, N. J.; McCarroll, D.; Carter, A. H. C.; Cheng, L.; Leavitt, S. W.

2004-01-01

High-resolution paleoclimatic data are an essential requirement for testing numerical models of climate change and the global carbon cycle. If the long tree-ring chronologies, originally established for the purpose of dendrochronology, are to be fully exploited as an indirect measure of past climatic variability, additional techniques are required to obtain this information. The determination of the δ 13 C value of tree-ring cellulose has been used successfully to reconstruct past climates. However, under both aerobic and anaerobic conditions, the polysaccharide components of vascular plants (mainly cellulose and hemicelluloses) are more prone to rapid degradation than lignin. This has serious implications for the use of carbon isotope values of tree-ring cellulose as an indirect measure of past climates. An absolutely dated ring-width chronology was established for oaks (Quercus robur L.) growing at Sandringham Park in eastern England. Carbon isotope values were determined on α-cellulose and 'Klason' lignin isolated from annual latewood samples over the period AD 1895-1999. The carbon isotope values of earlywood lignin are correlated with the latewood carbon isotope values of the previous year, supporting the theory that some of the carbon utilised in earlywood synthesis is assimilated in the previous year. The high-frequency variance in the carbon isotope indices of latewood lignin and cellulose is highly correlated with combined July and August environmental variables, indicating that they were formed at similar times. There was no evidence of secondary lignification. These results demonstrate that the determination of carbon isotope values of latewood lignin offers the potential to obtain unambiguous proxy climatic data covering several millennia

Measuring the electron-ion ring parameters by bremsstrahlung

International Nuclear Information System (INIS)

Inkin, V.D.; Mozelev, A.A.; Sarantsev, V.P.

1982-01-01

A system is described for measuring the number of electrons and ions in the electron-ion rings of a collective heavy ion accelerator. The system operation is based on detecting gamma quanta of bremsstrahlung following the ring electron interaction with the nuclei of neutral atoms and ions at different stages of filling the ring with ions. The radiation detector is a scintillation block - a photomultiplier operating for counting with NaI(Tl) crystal sized 30x30 mm and ensuring the detection efficiency close to unity. The system apparatus is made in the CAMAC standard and rems on-line with the TRA/i miniature computer. The block-diagrams of the system and algorithm of data processing are presented. A conclusion is drawn that the results of measuring the ring parameters with the use of the diagnostics system described are in good agreement within the range of measuring errors with those obtained by means of the diagnostics system employing synchrotron radiation and induction sensors

Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom

Science.gov (United States)

Gupta, Varun; Kumar, Ankit; Ray, Nirat

2018-05-01

The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy (graphene as compared to h-BN. Whereas through chemisorption, lower kinetic energy (>3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

Crystal structures of 2,3-bis(4-chlorophenyl-1,3-thiazolidin-4-one and trans-2,3-bis(4-chlorophenyl-1,3-thiazolidin-4-one 1-oxide

Directory of Open Access Journals (Sweden)

Hemant P. Yennawar

2015-03-01

Full Text Available In the crystal structures of the title compounds, C15H11Cl2NOS, (1, and C15H11Cl2NO2S, (2, wherein (2 is the oxidized form of (1, the thiazolidine ring is attached to two chlorophenyl rings. The chlorophenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1, while in (2, the S atom points in the opposite direction. The O atom on the chiral S atom in (2 is trans to the chlorophenyl ring on the 2-carbon. The chlorophenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61 (6 and 87.46 (8° in (1 and (2, respectively. The thiazolidine ring has a twisted conformation on the S—Cmethine bond in (1, and an envelope conformation with the S atom 0.715 (3 Å out of the plane of other four atoms in (2. In the crystal of (1, molecules are linked by C—H...O hydrogen bonds, as well as by slipped parallel π–π interactions [inter-centroid distance = 3.840 (3 Å] between inversion-related phenyl rings, forming sheets parallel to (001. In the crystal of (2, molecules are linked via C—H...O and C—H...Cl hydrogen bonds, forming slabs parallel to (001.

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

Science.gov (United States)

Xue, Kuan-Hong; Liu, Jia-Mei; Wei, Ri-Bing; Chen, Shao-Peng

2006-09-01

Electrochemical behavior of adrenaline at an electrode modified by carbon atom wires (CAWs), a new material, was investigated by cyclic voltammetry combined with UV-vis spectrometry, and forced convection method. As to the electrochemical response of redox of adrenaline/adrenalinequinone couple in 0.50 M H 2SO 4, at a nitric acid treated CAW modified electrode, the anodic and cathodic peak potentials Epa and Epc shifted by 87 mV negatively and 139 mV in the positive direction, respectively, and standard heterogeneous rate constant k0 increased by 16 times compared to the corresponding bare electrode, indicating the extraordinary activity of CAWs in electrocatalysis for the process.

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

International Nuclear Information System (INIS)

Xue Kuanhong; Liu Jiamei; Wei Ribing; Chen Shaopeng

2006-01-01

Electrochemical behavior of adrenaline at an electrode modified by carbon atom wires (CAWs), a new material, was investigated by cyclic voltammetry combined with UV-vis spectrometry, and forced convection method. As to the electrochemical response of redox of adrenaline/adrenalinequinone couple in 0.50 M H 2 SO 4 , at a nitric acid treated CAW modified electrode, the anodic and cathodic peak potentials E pa and E pc shifted by 87 mV negatively and 139 mV in the positive direction, respectively, and standard heterogeneous rate constant k 0 increased by 16 times compared to the corresponding bare electrode, indicating the extraordinary activity of CAWs in electrocatalysis for the process

Graphical linking of MO multicenter bond index and VB structures. II-5-c rings and 6-c heterocyclic rings

CERN Document Server

Bollini, C G; Giambiagi, M

2001-01-01

Through the graphical method proposed it is possible to set a link between an MO multicenter bond index and VB structures. The value of the index depends on the order of the atoms involved if they are more than three. For 5-c rings three basic structures are required; the eventually different values are 12. Unlike the 6-c case it may happen that different pairs of basic structures are used to build the same polygon. For the 6-c rings including heteroatoms the original degeneracy of benzene splits leading eventually to 60 different I sub r sub i sub n sub g values.

Time-Averaged Adiabatic Potentials: Versatile Matter-Wave Guides and Atom Traps

International Nuclear Information System (INIS)

Lesanovsky, Igor; Klitzing, Wolf von

2007-01-01

We demonstrate a novel class of trapping potentials, time-averaged adiabatic potentials (TAAP), which allows the generation of a large variety of traps for quantum gases and matter-wave guides for atom interferometers. Examples include stacks of pancakes, rows of cigars, and multiple rings or sickles. The traps can be coupled through controllable tunneling barriers or merged altogether. We present analytical expressions for pancake-, cigar-, and ring-shaped traps. The ring geometry is of particular interest for guided matter-wave interferometry as it provides a perfectly smooth waveguide of widely tunable diameter and thus adjustable sensitivity of the interferometer. The flexibility of the TAAP would make possible the use of Bose-Einstein condensates as coherent matter waves in large-area atom interferometers

Green chemistry: Efficient epoxides ring-opening with 1-butanol under microwave irradiation

International Nuclear Information System (INIS)

Garcia-Vidal, Jesus A.; Duran-Valle, Carlos J.; Ferrera-Escudero, Santiago

2006-01-01

Two activated carbons treated with mineral acids (HNO 3 and sulfonitric mixture) have been tested as acid catalysts in the epoxides (1,2-epoxyhexane and styrene oxide) ring-opening reaction with 1-butanol under microwave (MW) irradiation. The mayor obtained product is that resulting of the alcohol addition to the most substituted carbon in the epoxide ring. The most active catalyst is that treated with sulfonitric mixture. The use of a MW oven allows achieving to the complete conversion of styrene oxide in only 2 min

Green chemistry: Efficient epoxides ring-opening with 1-butanol under microwave irradiation

Energy Technology Data Exchange (ETDEWEB)

Garcia-Vidal, Jesus A. [Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Extremadura, Campus Universitario, Avda. de Elvas, s/n, E-06071-Badajoz (Spain); Duran-Valle, Carlos J. [Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Extremadura, Campus Universitario, Avda. de Elvas, s/n, E-06071-Badajoz (Spain)]. E-mail: carlosdv@unex.es; Ferrera-Escudero, Santiago [Departamento de Quimica Inorganica y Quimica Tecnica, Universidad Nacional de Educacion a Distancia, C/Senda del Rey, 9, E-28040 Madrid (Spain)

2006-06-30

Two activated carbons treated with mineral acids (HNO{sub 3} and sulfonitric mixture) have been tested as acid catalysts in the epoxides (1,2-epoxyhexane and styrene oxide) ring-opening reaction with 1-butanol under microwave (MW) irradiation. The mayor obtained product is that resulting of the alcohol addition to the most substituted carbon in the epoxide ring. The most active catalyst is that treated with sulfonitric mixture. The use of a MW oven allows achieving to the complete conversion of styrene oxide in only 2 min.

Influence of substitutional atoms on the solubility limit of carbon in bcc iron

International Nuclear Information System (INIS)

Saitoh, Hajime; Ushioda, Kohsaku; Yoshinaga, Naoki; Yamada, Wataru

2011-01-01

The influence of substitutional atoms (Mn, Cr, Si, P, and Al) on the solubility limit of C in body-centered cubic iron in equilibrium with cementite was investigated in low-carbon steels at a temperature of 700 o C. The C solubility limit was determined from internal friction measurements combined with infrared analysis of C using a high-frequency combustion technique. Experiments clarified that Mn, Cr and Al hardly change the C solubility limit, whereas P and Si increase it.

Adsorption and manipulation of carbon onions on highly oriented pyrolytic graphite studied with atomic force microscopy

International Nuclear Information System (INIS)

Zhou Jianfeng; Shen Ziyong; Hou Shimin; Zhao Xingyu; Xue Zengquan; Shi Zujin; Gu Zhennan

2007-01-01

Carbon onions produced by DC arc discharge method were deposited on highly oriented pyrolytic graphite (HOPG) surface and their adsorption and manipulation was studied using an atomic force microscopy (AFM). Well-dispersed adsorption of carbon onions on HOPG surface was obtained and aggregations of onions were not observed. The van der Waals interaction between the onion and HOPG surface and that between two onions, were calculated and discussed using Hamaker's theory. The manipulation of adsorbed onions on HOPG surface was realized using the AFM in both the raster mode and the vector mode. The controllability and precision of two manipulation modes were compared and the vector mode manipulation was found superior, and is a useful technique for the construction of nano-scale devices based on carbon onions

Rolling contact fatigue of low hardness steel for slewing ring application

Science.gov (United States)

Knuth, Jason A.

This thesis discusses the rolling contact fatigue of steel utilized in anti-friction bearings, also referred to as slewing bearings. These slewing bearings are utilized in cranes, excavators, wind turbines and other similar applications. Five materials composed of two different material types were tested. The two material types were high carbon steel and medium carbon alloy steel. The test specimens were processed from forged rolled rings. Two machines were evaluated a ZF-RCF and 3-Ball test machine. The evaluation was to determine which machine can best simulate the application in which the slewing bearing is utilized. Initially, each specimen will be pretested to determine the appropriate testing direction from within the forged rolled rings. Pretesting is needed in order to establish consistent failure modes between samples. The primary goal of the test is to understand the life differences and failure modes between high carbon steel and medium carbon alloy steel. The high carbon steel ring was cut into two sections, one of which was stress relieved and the other was quenched and tempered. The medium carbon alloy steel was cut into three sections, all of which were quenched and tempered to different hardness levels. The test program was dynamically adjusted based upon the previous sample's life and load. An S-N curve was then established from the 5 materials tested at two target loads. The samples were run until the first sign of a crack was detected by an eddy current. At the completion of the rolling contact test, select sample's microstructure was evaluated for crack initiation location. The selected samples were divided into four groups which represent different maximum shear stress levels. These samples displayed indications of material deformation in which the high carbon steel experienced an increased amount of cold work when compared to medium carbon alloy steel. The life of the high carbon steel was nearly equivalent to the expected life of the medium

Transformation of self-assembled InAs/InP quantum dots into quantum rings without capping.

Science.gov (United States)

Sormunen, Jaakko; Riikonen, Juha; Mattila, Marco; Tiilikainen, Jouni; Sopanen, Markku; Lipsanen, Harri

2005-08-01

Transformation of self-assembled InAs quantum dots (QDs) on InP(100) into quantum rings (QRs) is studied. In contrast to the typical approach to III--V semiconductor QR growth, the QDs are not capped to form rings. Atomic force micrographs reveal a drastic change from InAs QDs into rings after a growth interruption in tertiarybutylphosphine ambient. Strain energy relief in the InAs QD is discussed and a mechanism for dot-to-ring transformation by As/P exchange reactions is proposed.

High Temperature Chemistry of Chlorinated Acenaphthylene. 3C Bay Acetylene Additions and Annealing by Five-Membered Ring Shifts.

Science.gov (United States)

McIntosh, Grant J; Russell, Douglas K

2015-12-24

Experimental and theoretical results concerning the growth and isomerization of chlorinated acenaphthylene, C12H8, during the pyrolysis of chlorohydrocarbons are presented here. A fullerene subunit, C12H8, is a useful system to investigate regarding C60 formation. However, direct experimental observation of isomerization and annealing processes in particular are difficult to confirm due to the high symmetry of the parent molecule. Chlorination lowers the symmetry, essentially labeling carbon atoms, allowing growth and isomerization to be followed directly. Pyrolysis of dichloro- and trichloroethylene, and their copyrolyses with trichlorobenzenes, provides an efficient and general source of chlorinated acenaphthylenes in a range of degrees of chlorination and over a number of unique congeners. Analysis of congener yields as a function of reagents employed, guided by DFT/B3LYP/6-311G(d,p) level calculations, strongly suggests that C2 addition across three-carbon bays in naphthalene is a major driver of growth. Additionally, extremely facile five-membered ring shifts are operative, with chlorine promoting isomerization. Theoretical study of C16H10- and C18H10-based congeners indicate that this is a general phenomenon, and with chlorine also favoring internal cyclopentafused rings in addition to increased isomerization rates, this suggests halogen moieties may be an important feature for efficient fullerene growth.

Biofunctionalization of carbon nanotubes/chitosan hybrids on Ti implants by atom layer deposited ZnO nanostructures

Energy Technology Data Exchange (ETDEWEB)

Zhu, Yizhou; Liu, Xiangmei [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei Key Laboratory of Polymer Materials, School of Materials Science & Engineering, Hubei University, Wuhan 430062 (China); Yeung, Kelvin W.K. [Division of Spine Surgery, Department of Orthopaedics & Traumatology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Pokfulam, Hong Kong (China); Chu, Paul K. [Department of Physics & Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Wu, Shuilin, E-mail: shuilin.wu@gmail.com [Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials, Ministry-of-Education Key Laboratory for the Green Preparation and Application of Functional Materials, Hubei Key Laboratory of Polymer Materials, School of Materials Science & Engineering, Hubei University, Wuhan 430062 (China)

2017-04-01

Highlights: • Carbon naonotubes/chitosan/ZnO coating was first constructed on Ti implants. • This system endowed Ti implants with excellent self-antibacterial activity. • The amount of Zn could be precisely controlled by atom layer deposition. • This system could regulate cell behaviors on metallic implants. - Abstract: One-dimensional (1D) nanostructures of ZnO using atomic layer deposition (ALD) on chitosan (CS) modified carbon nanotubes (CNTs) were first introduced onto the surfaces of biomedical implants. When the content of ZnO is not sufficient, CNTs can strengthen the antibacterial activity against E. coli and S. aureus by 8% and 39%, respectively. CS can improve the cytocompatibility of CNTs and ZnO. The amount of Zn content can be controlled by changing the cycling numbers of ALD processes. This hybrid coating can not only endow medical implants with high self-antibacterial efficacy against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) of over 73% and 98%, respectively, but also regulate the proliferation and osteogenic differentiation of osteoblasts by controlling the amount of ZnO.

Biofunctionalization of carbon nanotubes/chitosan hybrids on Ti implants by atom layer deposited ZnO nanostructures

International Nuclear Information System (INIS)

Zhu, Yizhou; Liu, Xiangmei; Yeung, Kelvin W.K.; Chu, Paul K.; Wu, Shuilin

2017-01-01

Highlights: • Carbon naonotubes/chitosan/ZnO coating was first constructed on Ti implants. • This system endowed Ti implants with excellent self-antibacterial activity. • The amount of Zn could be precisely controlled by atom layer deposition. • This system could regulate cell behaviors on metallic implants. - Abstract: One-dimensional (1D) nanostructures of ZnO using atomic layer deposition (ALD) on chitosan (CS) modified carbon nanotubes (CNTs) were first introduced onto the surfaces of biomedical implants. When the content of ZnO is not sufficient, CNTs can strengthen the antibacterial activity against E. coli and S. aureus by 8% and 39%, respectively. CS can improve the cytocompatibility of CNTs and ZnO. The amount of Zn content can be controlled by changing the cycling numbers of ALD processes. This hybrid coating can not only endow medical implants with high self-antibacterial efficacy against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) of over 73% and 98%, respectively, but also regulate the proliferation and osteogenic differentiation of osteoblasts by controlling the amount of ZnO.

{delta}{sup 13}C of Tree-Ring Lignin as an Indirect Measure of Climate Change

Energy Technology Data Exchange (ETDEWEB)

Robertson, I. [CSIR Environmentek, Quaternary Dating Research Unit (South Africa)], E-mail: i.robertson@swansea.ac.uk; Loader, N. J.; McCarroll, D. [University of Wales Swansea, Department of Geography (United Kingdom); Carter, A. H. C. [University of Cambridge, Godwin Institute for Quaternary Research (United Kingdom); Cheng, L.; Leavitt, S. W. [University of Arizona, Laboratory of Tree-Ring Research (United States)

2004-06-15

High-resolution paleoclimatic data are an essential requirement for testing numerical models of climate change and the global carbon cycle. If the long tree-ring chronologies, originally established for the purpose of dendrochronology, are to be fully exploited as an indirect measure of past climatic variability, additional techniques are required to obtain this information. The determination of the {delta}{sup 13}C value of tree-ring cellulose has been used successfully to reconstruct past climates. However, under both aerobic and anaerobic conditions, the polysaccharide components of vascular plants (mainly cellulose and hemicelluloses) are more prone to rapid degradation than lignin. This has serious implications for the use of carbon isotope values of tree-ring cellulose as an indirect measure of past climates. An absolutely dated ring-width chronology was established for oaks (Quercus robur L.) growing at Sandringham Park in eastern England. Carbon isotope values were determined on {alpha}-cellulose and 'Klason' lignin isolated from annual latewood samples over the period AD 1895-1999. The carbon isotope values of earlywood lignin are correlated with the latewood carbon isotope values of the previous year, supporting the theory that some of the carbon utilised in earlywood synthesis is assimilated in the previous year. The high-frequency variance in the carbon isotope indices of latewood lignin and cellulose is highly correlated with combined July and August environmental variables, indicating that they were formed at similar times. There was no evidence of secondary lignification. These results demonstrate that the determination of carbon isotope values of latewood lignin offers the potential to obtain unambiguous proxy climatic data covering several millennia.

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

Science.gov (United States)

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

2012-12-21

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

Long-term effects of drought on tree-ring growth and carbon isotope variability in Scots pine in a dry environment.

Science.gov (United States)

Timofeeva, Galina; Treydte, Kerstin; Bugmann, Harald; Rigling, Andreas; Schaub, Marcus; Siegwolf, Rolf; Saurer, Matthias

2017-08-01

Drought frequency is increasing in many parts of the world and may enhance tree decline and mortality. The underlying physiological mechanisms are poorly understood, however, particularly regarding chronic effects of long-term drought and the response to increasing temperature and vapor pressure deficit (VPD). We combined analyses of radial growth and stable carbon isotope ratios (δ13C) in tree rings in a mature Scots pine (Pinus sylvestris L.) forest over the 20th century to elucidate causes of tree mortality in one of the driest parts of the European Alps (Pfynwald, Switzerland). We further compared trees that have recently died with living trees in a 10-year irrigation experiment, where annual precipitation was doubled. We found a sustained growth increase and immediate depletion of δ13C values for irrigated trees, indicating higher stomatal conductance and thus indeed demonstrating that water is a key limiting factor for growth. Growth of the now-dead trees started declining in the mid-1980s, when both mean temperature and VPD increased strongly. But growth of these trees was reduced to some extent already several decades earlier, while intrinsic water-use efficiency derived from δ13C values was higher. This indicates a more conservative water-use strategy compared with surviving trees, possibly at the cost of low carbon uptake and long-term reduction of the needle mass. We observed reduced climatic sensitivity of raw tree-ring δ13C for the now-dead in contrast to surviving trees, indicating impaired stomatal regulation, although this difference between the tree groups was smaller after detrending the data. Higher autocorrelation and a lower inter-annual δ13C variability of the now-dead trees further indicates a strong dependence on (low) carbon reserves. We conclude that the recent increase in atmospheric moisture demand in combination with insufficient soil water supply was the main trigger for mortality of those trees that were weakened by long

Imaging active topological defects in carbon nanotubes

Science.gov (United States)

Suenaga, Kazu; Wakabayashi, Hideaki; Koshino, Masanori; Sato, Yuta; Urita, Koki; Iijima, Sumio

2007-06-01

A single-walled carbon nanotube (SWNT) is a wrapped single graphene layer, and its plastic deformation should require active topological defects-non-hexagonal carbon rings that can migrate along the nanotube wall. Although in situ transmission electron microscopy (TEM) has been used to examine the deformation of SWNTs, these studies deal only with diameter changes and no atomistic mechanism has been elucidated experimentally. Theory predicts that some topological defects can form through the Stone-Wales transformation in SWNTs under tension at 2,000 K, and could act as a dislocation core. We demonstrate here, by means of high-resolution (HR)-TEM with atomic sensitivity, the first direct imaging of pentagon-heptagon pair defects found in an SWNT that was heated at 2,273 K. Moreover, our in situ HR-TEM observation reveals an accumulation of topological defects near the kink of a deformed nanotube. This result suggests that dislocation motions or active topological defects are indeed responsible for the plastic deformation of SWNTs.

Carbon dioxide effects research and assessment program

International Nuclear Information System (INIS)

Jacoby, G.

1980-12-01

Information about the past and present concentrations of CO 2 in the atmosphere and variations in climate can be obtained from measurements of stable isotopes in tree rings; specifically carbon-13, oxygen-18 and deuterium. The analysis of these stable isotopes in tree rings is a relatively new and rapidly developing field. This proceedings volume contains most of the papers presented at the meeting. The first paper gives an overview of the status of carbon-13 research. Papers relating to carbon-13 are in section I and grouped separately from the contributions on carbon-14. Although the meeting was primarily concerned with stable isotopes, all carbon isotopic analysis may be helpful in understanding the carbon-13 record in tree rings. The papers on hydrogen and oxygen isotope studies are in sections II and III respectively. The remaining sections contain papers that consider more than one isotope at a time, general topics related to isotopes, atmospheric changes and tree growth, and methods of isotopic analysis

Recent developments in trapping and manipulation of atoms with adiabatic potentials

Science.gov (United States)

Garraway, Barry M.; Perrin, Hélène

2016-09-01

A combination of static and oscillating magnetic fields can be used to ‘dress’ atoms with radio-frequency (RF), or microwave, radiation. The spatial variation of these fields can be used to create an enormous variety of traps for ultra-cold atoms and quantum gases. This article reviews the type and character of these adiabatic traps and the applications which include atom interferometry and the study of low-dimensional quantum systems. We introduce the main concepts of magnetic traps leading to adiabatic dressed traps. The concept of adiabaticity is discussed in the context of the Landau-Zener model. The first bubble trap experiment is reviewed together with the method used for loading it. Experiments based on atom chips show the production of double wells and ring traps. Dressed atom traps can be evaporatively cooled with an additional RF field, and a weak RF field can be used to probe the spectroscopy of the adiabatic potentials. Several approaches to ring traps formed from adiabatic potentials are discussed, including those based on atom chips, time-averaged adiabatic potentials and induction methods. Several proposals for adiabatic lattices with dressed atoms are also reviewed.

Stable carbon isotopes and drought signal in the tree-rings of northern white-cedar trees from boreal central Canada. (Invited)

Science.gov (United States)

Tardif, J. C.; Au, R.

2010-12-01

both radial growth and carbon assimilation, particularly during the month of June in the current growing season. During this month, the ring-width index was sensitive to moisture stress (positive and negative association with precipitation and temperature, respectively) whereas the δ13C index showed enrichment with increasing temperature and drought index. Our results also suggested that in T. occidentalis ring width was more responsive to prolonged drought than δ13C since periods of decreased radial growth most often coincided with documented drought intervals. Past experimental studies had indicated that young T. occidentalis trees may adjust stomatal conductance following exposure to water deficit suggesting that trees could develop a tolerance to subsequent water deficit. We speculate that in periods of extended drought, the absence of sustained year-to-year enriched δ13C values in T. occidentalis trees may thus reflect stomatal conditioning. This suggests that tree-ring δ13C in T. occidentalis trees may have limited utility in drought reconstruction. Comparing the T. occidentalis δ13C data with that of other coniferous species from northern Manitoba revealed that T. occidentalis was the most δ13C-enriched species and that it portrayed the lowest δ13C sensitivity. Low correlations also were observed between species chronologies.

Whispering galleries and the control of artificial atoms.

Science.gov (United States)

Forrester, Derek Michael; Kusmartsev, Feodor V

2016-04-28

Quantum computation using artificial-atoms, such as novel superconducting circuits, can be sensitively controlled by external electromagnetic fields. These fields and the self-fields attributable to the coupled artificial-atoms influence the amount of quantum correlation in the system. However, control elements that can operate without complete destruction of the entanglement of the quantum-bits are difficult to engineer. Here we investigate the possibility of using closely-spaced-linear arrays of metallic-elliptical discs as whispering gallery waveguides to control artificial-atoms. The discs confine and guide radiation through the array with small notches etched into their sides that act as scatterers. We focus on π-ring artificial-atoms, which can generate their own spontaneous fluxes. We find that the micro-discs of the waveguides can be excited by terahertz frequency fields to exhibit whispering-modes and that a quantum-phase-gate composed of π-rings can be operated under their influence. Furthermore, we gauge the level of entanglement through the concurrence measure and show that under certain magnetic conditions a series of entanglement sudden-deaths and revivals occur between the two qubits. This is important for understanding the stability and life-time of qubit operations using, for example, a phase gate in a hybrid of quantum technologies composed of control elements and artificial-atoms.

Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride

International Nuclear Information System (INIS)

Martinez, Jorge L.; Pink, Maren

2017-01-01

The new iron(IV) nitride complex PhB( i Pr 2 Im) 3 Fe≡N reacts with two equivalents of bis(diisopropylamino)cyclopropenylidene (BAC) to provide PhB( i Pr 2 Im) 3 Fe(CN)(N 2 )(BAC). This unusual example of a four-electron reaction involves carbon atom transfer from BAC to create a cyanide ligand along with the alkyne i Pr 2 N-C≡C-N i Pr 2 . The iron complex is in equilibrium with an N 2 - free species. Further reaction with CO leads to formation of a CO analogue, which can be independently prepared using NaCN as the cyanide source, while reaction with B(C 6 F 5 ) 3 provides the cyanoborane derivative.

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

Energy Technology Data Exchange (ETDEWEB)

Xue Kuanhong [Chemistry Department, Nanjing Normal University, Jiangsu Engineering Research Center for Bio-medical Function Materials, 122 NingHai Road, Nanjing, JiangSu 210097 (China)], E-mail: khxue@njnu.edu.cn; Liu Jiamei [Chemistry Department, Nanjing Normal University, Jiangsu Engineering Research Center for Bio-medical Function Materials, 122 NingHai Road, Nanjing, JiangSu 210097 (China); Wei Ribing [Chemistry Department, Nanjing Normal University, Jiangsu Engineering Research Center for Bio-medical Function Materials, 122 NingHai Road, Nanjing, JiangSu 210097 (China); Chen Shaopeng [Chemistry Department, Nanjing Normal University, Jiangsu Engineering Research Center for Bio-medical Function Materials, 122 NingHai Road, Nanjing, JiangSu 210097 (China)

2006-09-11

Electrochemical behavior of adrenaline at an electrode modified by carbon atom wires (CAWs), a new material, was investigated by cyclic voltammetry combined with UV-vis spectrometry, and forced convection method. As to the electrochemical response of redox of adrenaline/adrenalinequinone couple in 0.50 M H{sub 2}SO{sub 4}, at a nitric acid treated CAW modified electrode, the anodic and cathodic peak potentials E {sub pa} and E {sub pc} shifted by 87 mV negatively and 139 mV in the positive direction, respectively, and standard heterogeneous rate constant k {sup 0} increased by 16 times compared to the corresponding bare electrode, indicating the extraordinary activity of CAWs in electrocatalysis for the process.

Weyl Exceptional Rings in a Three-Dimensional Dissipative Cold Atomic Gas (Author’s Manuscript)

Science.gov (United States)

2017-01-27

in a dissipative system with particle gain and loss, we discover a new type of topological ring, dubbed Weyl exceptional ring consisting of...valued. On the other hand , the Chern number is zero when the surface S does not enclose any part of the ring even when it is located inside it...k)〉 and Ãθ(k) = i〈ũθ(k)|∂kuθ(k)〉, where 〈ũθ(k)| is the normalized left eigenstate of H [i.e., 〈ũθ(k)|H(k) = 〈ũθ(k)|Eθ(k) and 〈ũθ(k)|uθ(k)〉 = 1

Above‐ground woody carbon sequestration measured from tree rings is coherent with net ecosystem productivity at five eddy‐covariance sites

DEFF Research Database (Denmark)

Babst, Flurin; Bouriaud, Olivier; Papale, Dario

2014-01-01

Attempts to combine biometric and eddy‐covariance (EC) quantifications of carbon allocation to different storage pools in forests have been inconsistent and variably successful in the past. We assessed above‐ground biomass changes at five long‐term EC forest stations based on tree‐ring width...... and wood density measurements, together with multiple allometric models. Measurements were validated with site‐specific biomass estimates and compared with the sum of monthly CO2 fluxes between 1997 and 2009. Biometric measurements and seasonal net ecosystem productivity (NEP) proved largely compatible...

Effects of doping in 25-atom bimetallic nanocluster catalysts for carbon–carbon coupling reaction of iodoanisole and phenylacetylene

Directory of Open Access Journals (Sweden)

Zhimin Li

2016-10-01

Full Text Available We here report the catalytic effects of foreign atoms (Cu, Ag, and Pt doped into well-defined 25-gold-atom nanoclusters. Using the carbon-carbon coupling reaction of p-iodoanisole and phenylacetylene as a model reaction, the gold-based bimetallic MxAu25−x(SR18 (–SR=–SCH2CH2Ph nanoclusters (supported on titania were found to exhibit distinct effects on the conversion of p-iodoanisole as well as the selectivity for the Sonogashira cross-coupling product, 1-methoxy-4-(2-phenylethynylbenzene. Compared to Au25(SR18, the centrally doped Pt1Au24(SR18 causes a drop in catalytic activity but with the selectivity retained, while the AgxAu25−x(SR18 nanoclusters gave an overall performance comparable to Au25(SR18. Interestingly, CuxAu25−x(SR18 nanoclusters prefer the Ullmann homo-coupling pathway and give rise to product 4,4′-dimethoxy-1,1′-biphenyl, which is in opposite to the other three nanocluster catalysts. Our overall conclusion is that the conversion of p-iodoanisole is largely affected by the electronic effect in the bimetallic nanoclusters’ 13-atom core (i.e., Pt1Au12, CuxAu13−x, and Au13, with the exception of Ag doping, and that the selectivity is primarily determined by the type of atoms on the MxAu12−x shell (M=Ag, Cu, and Au in the nanocluster catalysts.

Atomic hydrogen cleaning of EUV multilayer optics

Science.gov (United States)

Graham, Samuel, Jr.; Steinhaus, Charles A.; Clift, W. Miles; Klebanoff, Leonard E.; Bajt, Sasa

2003-06-01

Recent studies have been conducted to investigate the use of atomic hydrogen as an in-situ contamination removal method for EUV optics. In these experiments, a commercial source was used to produce atomic hydrogen by thermal dissociation of molecular hydrogen using a hot filament. Samples for these experiments consisted of silicon wafers coated with sputtered carbon, Mo/Si optics with EUV-induced carbon, and bare Si-capped and Ru-B4C-capped Mo/Si optics. Samples were exposed to an atomic hydrogen source at a distance of 200 - 500 mm downstream and angles between 0-90° with respect to the source. Carbon removal rates and optic oxidation rates were measured using Auger electron spectroscopy depth profiling. In addition, at-wavelength peak reflectance (13.4 nm) was measured using the EUV reflectometer at the Advanced Light Source. Data from these experiments show carbon removal rates up to 20 Å/hr for sputtered carbon and 40 Å/hr for EUV deposited carbon at a distance of 200 mm downstream. The cleaning rate was also observed to be a strong function of distance and angular position. Experiments have also shown that the carbon etch rate can be increased by a factor of 4 by channeling atomic hydrogen through quartz tubes in order to direct the atomic hydrogen to the optic surface. Atomic hydrogen exposures of bare optic samples show a small risk in reflectivity degradation after extended periods. Extended exposures (up to 20 hours) of bare Si-capped Mo/Si optics show a 1.2% loss (absolute) in reflectivity while the Ru-B4C-capped Mo/Si optics show a loss on the order of 0.5%. In order to investigate the source of this reflectivity degradation, optic samples were exposed to atomic deuterium and analyzed using low energy ion scattering direct recoil spectroscopy to determine any reactions of the hydrogen with the multilayer stack. Overall, the results show that the risk of over-etching with atomic hydrogen is much less than previous studies using RF discharge cleaning

Cavity ring-down technique for measurement of reflectivity of high ...

Indian Academy of Sciences (India)

Laser & Plasma Technology Division, Bhabha Atomic Research Centre, Mumbai 400 085,. India. *Corresponding author. E-mail: gsridhar@barc.gov.in. Abstract. A simple, accurate and reliable method for measuring the reflectivity of laser- ... Keywords. Cavity ring-down method; reflectivity measurement; optical resonator.

Inferring biome-scale net primary productivity from tree-ring isotopes

Science.gov (United States)

Pederson, N.; Levesque, M.; Williams, A. P.; Hobi, M. L.; Smith, W. K.; Andreu-Hayles, L.

2017-12-01

Satellite estimates of vegetation growth (net primary productivity; NPP), tree-ring records, and forest inventories indicate that ongoing climate change and rising atmospheric CO2 concentration are altering productivity and carbon storage of forests worldwide. The impact of global change on the trends of NPP, however, remain unknown because of the lack of long-term high-resolution NPP data. For the first time, we tested if annually resolved carbon (δ13C) and oxygen (δ18O) stable isotopes from the cellulose of tree rings from trees in temperate regions could be used as a tool for inferring NPP across spatiotemporal scales. We compared satellite NPP estimates from the moderate-resolution imaging spectroradiometer sensor (MODIS, product MOD17A) and a newly developed global NPP dataset derived from the Global Inventory Modeling and Mapping Studies (GIMMS) dataset to annually resolved tree-ring width and δ13C and δ18O records from four sites along a hydroclimatic gradient in Eastern and Central United States. We found strong correlations across large geographical regions between satellite-derived NPP and tree-ring isotopes that ranged from -0.40 to -0.91. Notably, tree-ring derived δ18O had the strongest relation to climate. The results were consistent among the studied tree species (Quercus rubra and Liriodendron tulipifera) and along the hydroclimatic conditions of our network. Our study indicates that tree-ring isotopes can potentially be used to reconstruct NPP in time and space. As such, our findings represent an important breakthrough for estimating long-term changes in vegetation productivity at the biome scale.

Electron and positron contributions to the displacement per atom profile in bulk multi-walled carbon nanotube material irradiated with gamma rays

International Nuclear Information System (INIS)

Leyva Fabelo, Antonio; Pinnera Hernandez, Ibrahin; Leyva Pernia, Diana

2013-01-01

The electron and positron contributions to the effective atom displacement cross-section in multi-walled carbon nanotube bulk materials exposed to gamma rays were calculated. The physical properties and the displacement threshold energy value reported in literature for this material were taken into account. Then, using the mathematical simulation of photon and particle transport in matter, the electron and positron energy flux distributions within the irradiated object were also calculated. Finally, considering both results, the atom displacement damage profiles inside the analyzed bulk carbon nanotube material were determined. The individual contribution from each type of secondary particles generated by the photon interactions was specified. An increasing behavior of the displacement cross-sections for all the studied particles energy range was observed. The particles minimum kinetic energy values that make probabilistically possible the single and multiple atom displacement processes were determined. The positrons contribution importance to the total number of point defects generated during the interaction of gamma rays with the studied materials was confirmed

Density functional theory study the effects of oxygen-containing functional groups on oxygen molecules and oxygen atoms adsorbed on carbonaceous materials.

Science.gov (United States)

Qi, Xuejun; Song, Wenwu; Shi, Jianwei

2017-01-01

Density functional theory was used to study the effects of different types of oxygen-containing functional groups on the adsorption of oxygen molecules and single active oxygen atoms on carbonaceous materials. During gasification or combustion reactions of carbonaceous materials, oxygen-containing functional groups such as hydroxyl(-OH), carbonyl(-CO), quinone(-O), and carboxyl(-COOH) are often present on the edge of graphite and can affect graphite's chemical properties. When oxygen-containing functional groups appear on a graphite surface, the oxygen molecules are strongly adsorbed onto the surface to form a four-member ring structure. At the same time, the O-O bond is greatly weakened and easily broken. The adsorption energy value indicates that the adsorption of oxygen molecules changes from physisorption to chemisorption for oxygen-containing functional groups on the edge of a graphite surface. In addition, our results indicate that the adsorption energy depends on the type of oxygen-containing functional group. When a single active oxygen atom is adsorbed on the bridge site of graphite, it gives rise to a stable epoxy structure. Epoxy can cause deformation of the graphite lattice due to the transition of graphite from sp2 to sp3 after the addition of an oxygen atom. For quinone group on the edge of graphite, oxygen atoms react with carbon atoms to form the precursor of CO2. Similarly, the single active oxygen atoms of carbonyl groups can interact with edge carbon atoms to form the precursor of CO2. The results show that oxygen-containing functional groups on graphite surfaces enhance the activity of graphite, which promotes adsorption on the graphite surface.

Sub-Angstrom Atomic-Resolution Imaging of Heavy Atoms to Light Atoms

Energy Technology Data Exchange (ETDEWEB)

O' Keefe, Michael A.; Shao-Horn, Yang

2003-05-23

Three decades ago John Cowley and his group at ASU achieved high-resolution electron microscope images showing the crystal unit cell contents at better than 4Angstrom resolution. Over the years, this achievement has inspired improvements in resolution that have enabled researchers to pinpoint the positions of heavy atom columns within the cell. More recently, this ability has been extended to light atoms as resolution has improved. Sub-Angstrom resolution has enabled researchers to image the columns of light atoms (carbon, oxygen and nitrogen) that are present in many complex structures. By using sub-Angstrom focal-series reconstruction of the specimen exit surface wave to image columns of cobalt, oxygen, and lithium atoms in a transition metal oxide structure commonly used as positive electrodes in lithium rechargeable batteries, we show that the range of detectable light atoms extends to lithium. HRTEM at sub-Angstrom resolution will provide the essential role of experimental verification for the emergent nanotech revolution. Our results foreshadow those to be expected from next-generation TEMs with Cs-corrected lenses and monochromated electron beams.

NMR investigation of coal extracts

Energy Technology Data Exchange (ETDEWEB)

Lang, I; Sebor, G [Ceskoslovenska Akademie Ved, Prague. Hornicky Ustav; Sebor, G Jr; Hajek, M; Mostecky, J [Vysoka Skola Chemicko-Technologicka, Prague (Czechoslovakia)

1978-07-01

Proton NMR spectroscopy was used for the evaluation of 10% coal extract solutions in deuterated pyridine. Four types of Czechoslovak coal were analyzed. Agreement was found between the aromaticity of coal extracts calculated from /sup 1/H NMR data using Brown's method and Ladner's and Williams' method and the characterization of an average molecule of the coal extract by the number of non-bridge carbon atoms of aromatic rings, by the overall number of aromatic ring carbon atoms and the number of aromatic rings, determined by the Williams and Ferris methods. The methods for calculating carbon distribution from /sup 1/H NMR data, however, contain some constants theoretically estimated or experimentally found using the method which still remain to be verified.

Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

Science.gov (United States)

Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

2017-01-01

To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

The Ring System of Saturn as Seen by Cassini-VIMS (Invited)

Science.gov (United States)

Filacchione, G.; Ciarniello, M.; Capaccioni, F.

2015-08-01

Since 2004 the Visual and Infrared Mapping Spectrometer (VIMS) aboard Cassini has acquired numerous hyperspectral mosaics in the 0.35-5.1 μm spectral range of Saturn's main rings in very different illumination and viewing geometries. These observations have allowed us to infer the ring particles physical properties and composition: water ice abundance is estimated through the 1.25-1.5-2.0 μm band depths, chromophores distribution is derived from visible spectral slopes while organic material is traced by the aliphatic compounds signature at 3.42 μm which appears stronger on CD and C ring than on A-B rings (Filacchione et al., 2014). Observed reflectance spectra are fitted with a spectrophotometric model based on Montecarlo ray-tracing with the scope to infer particles composition while disentangling photometric effects (caused by multiple scattering, opposition surge and forward scattering) which depend on illumination/viewing geometries. Spectral bond albedo for different regions of the rings has been best-fitted using Hapke's radiative transfer modeling (Ciarniello et al, 2011) by choosing different mixtures of water ice, tholin, and amorphous carbon particles populations. While tholin distribution seems to be fairly constant across the rings, the amorphous carbon appears anti-correlated with optical depth. Moreover, dark material contamination is less effective on densest regions, where the more intense rejuvenation processes occur, in agreement with the ballistic transport theory (Cuzzi and Estrada,1998). Finally, the 3.6 μm continuum peak wavelength is used to infer particles temperature, which is anti-correlated with the albedo and the optical depth (tau): low-albedo/low-tau C ring and CD have higher temperatures than A-B rings where albedo and tau are high. This trend matches direct temperature measurements by CIRS (Spilker et al., 2013).

Tracer kinetic investigations on isomerization and synthesis of /sup 8/C-aromates. II. Isomerization of ethylbenzene by means of heterogeneous catalysts

Energy Technology Data Exchange (ETDEWEB)

Dermietzel, J; Roesseler, M; Jockisch, W; Wienhold, C [Akademie der Wissenschaften der DDR, Leipzig. Zentralinstitut fuer Isotopen- und Strahlenforschung; Franke, H; Klempin, J; Barz, H J [VEB Petrolchemisches Kombinat Schwedt (German Democratic Republic)

1978-01-01

The mechanism of ethylbenzene isomerization on Pt/Al/sub 2/O/sub 3/ catalysts by means of /sup 14/C labelled compounds has been investigated, measuring the isotope distribution between ring and alkyl carbon atoms. The results suggest that ethylbenzene isomerizes via structure rearrangement involving ring carbon atoms. A similar mechanism takes place in xylene isomerization under increased hydrogen partial pressure, while under normal pressure 1,2-methyl group shifting is dominating. All three xylenes are formed from ethylbenzene by parallel reactions.

Morphological evolution of Ge/Si(001) quantum dot rings formed at the rim of wet-etched pits.

Science.gov (United States)

Grydlik, Martyna; Brehm, Moritz; Schäffler, Friedrich

2012-10-30

We demonstrate the formation of Ge quantum dots in ring-like arrangements around predefined {111}-faceted pits in the Si(001) substrate. We report on the complex morphological evolution of the single quantum dots contributing to the rings by means of atomic force microscopy and demonstrate that by careful adjustment of the epitaxial growth parameters, such rings containing densely squeezed islands can be grown with large spatial distances of up to 5 μm without additional nucleation of randomly distributed quantum dots between the rings.

Growth of carbon structured over Pd, Pt and Ni: A comparative DFT study

Science.gov (United States)

Quiroga, Matías Abel

2013-03-01

To elucidate the graphene-like structures mechanisms growth over the M(1 1 1) surface (M = Pd, Pt and Ni) we performed ab initio calculus in the frame of density functional theory with the exchange-correlation functional treated according to the Generalized Gradient Approximation (GGA). In order to avoid the problem that represent the complex interaction between the well formed graphene layer and the metallic surface, we recreate the carbon rings formation initial steps, by adding one by one carbon atoms over M(1 1 1) surface. With this strategy, the chemical bonding is always present until the graphene layer is well formed, in which case the GGA neglects van der Waals dispersive forces. We investigate the electronic properties by studying the band structure and the density of states.

Carbonatite ring-complexes explained by caldera-style volcanism.

Science.gov (United States)

Andersson, Magnus; Malehmir, Alireza; Troll, Valentin R; Dehghannejad, Mahdieh; Juhlin, Christopher; Ask, Maria

2013-01-01

Carbonatites are rare, carbonate-rich magmatic rocks that make up a minute portion of the crust only, yet they are of great relevance for our understanding of crustal and mantle processes. Although they occur in all continents and from Archaean to present, the deeper plumbing system of carbonatite ring-complexes is usually poorly constrained. Here, we show that carbonatite ring-complexes can be explained by caldera-style volcanism. Our geophysical investigation of the Alnö carbonatite ring-complex in central Sweden identifies a solidified saucer-shaped magma chamber at ~3 km depth that links to surface exposures through a ring fault system. Caldera subsidence during final stages of activity caused carbonatite eruptions north of the main complex, providing the crucial element to connect plutonic and eruptive features of carbonatite magmatism. The way carbonatite magmas are stored, transported and erupt at the surface is thus comparable to known emplacement styles from silicic calderas.

Bibliography of electron and photon cross sections with atoms and molecules published in the 20th century. Carbon dioxide

International Nuclear Information System (INIS)

Hayashi, Makoto

2003-04-01

A bibliography of original and review reports of experiments or theories of electron and photon cross sections and also electron swarm data are presented for atomic or molecular species with specified targets. These works covered 17 atoms and 51 molecules. The present bibliography is only for carbon dioxide (CO 2 ). About 1,240 papers were compiled. A comprehensive author index is included. The bibliography covers the period 1901 through 2000 for CO 2 . Finally, author's comments for CO 2 electron collision cross sections are given. (author)

Fluorescence quenching and the "ring-mode" to "red-mode" transition in alkali inductively coupled plasmas

Science.gov (United States)

Huang, M.; Bazurto, R.; Camparo, J.

2018-01-01

The ring-mode to red-mode transition in alkali metal inductively coupled plasmas (ICPs) (i.e., rf-discharge lamps) is perhaps the most important physical phenomenon affecting these devices as optical pumping light sources for atomic clocks and magnetometers. It sets the limit on useful ICP operating temperature, thereby setting a limit on ICP light output for atomic-clock/magnetometer signal generation, and it is a temperature region of ICP operation associated with discharge instability. Previous work has suggested that the mechanism driving the ring-mode to red-mode transition is associated with radiation trapping, but definitive experimental evidence validating that hypothesis has been lacking. Based on that hypothesis, one would predict that the introduction of an alkali-fluorescence quenching gas (i.e., N2) into the ICP would increase the ring-mode to red-mode transition temperature. Here, we test that prediction, finding direct evidence supporting the radiation-trapping hypothesis.

Progress of highly charged atomic physics at IMP

International Nuclear Information System (INIS)

Ma, X; Zhu, X L; Liu, H P; Li, B; Wei, B R; Sha, S; Cao, S P; Chen, L F; Zhang, S F; Feng, W T; Zhang, D C; Qian, D B

2007-01-01

The progress of atomic physics researches at the Institute of Modern Physics (IMP) is reviewed, covering the studies on ion-atom/molecule collisions, ion-cluster interaction, negative ion formation, state-selective electron capture studied by COLTRIMS, as well as the progress of a new experimental area dedicated for atomic researches at moderate energies, and the advances of the cooler storage rings at the Heavy Ion Research Facility in Lanzhou (HIRFL). New opportunities to study collision dynamics from femto-second to atto-second regime are opened based on the present facilities and the on-going projects

BEAM TRANSPORT AND STORAGE WITH COLD NEUTRAL ATOMS AND MOLECULES

Energy Technology Data Exchange (ETDEWEB)

Walstrom, Peter L. [Los Alamos National Laboratory

2012-05-15

A large class of cold neutral atoms and molecules is subject to magnetic field-gradient forces. In the presence of a field, hyperfine atomic states are split into several Zeeman levels. The slopes of these curves vs. field are the effective magnetic moments. By means of optical pumping in a field, Zeeman states of neutral lithium atoms and CaH molecules with effective magnetic moments of nearly {+-} one Bohr magneton can be selected. Particles in Zeeman states for which the energy increases with field are repelled by increasing fields; particles in states for which the energy decreases with field are attracted to increasing fields. For stable magnetic confinement, field-repelled states are required. Neutral-particle velocities in the present study are on the order of tens to hundreds of m/s and the magnetic fields needed for transport and injection are on the order of in the range of 0.01-1T. Many of the general concepts of charged-particle beam transport carry over into neutral particle spin-force optics, but with important differences. In general, the role of bending dipoles in charged particle optics is played by quadrupoles in neutral particle optics; the role of quadrupoles is played by sextupoles. The neutralparticle analog of charge-exchange injection into storage rings is the use of lasers to flip the state of particles from field-seeking to field-repelled. Preliminary tracking results for two neutral atom/molecule storage ring configurations are presented. It was found that orbit instabilities limit the confinment time in a racetrack-shaped ring with discrete magnetic elements with drift spaces between them; stable behavior was observed in a toroidal ring with a continuous sextupole field. An alternative concept using a linear sextupole or octupole channel with solenoids on the ends is presently being considered.

The effect of defects on the catalytic activity of single Au atom supported carbon nanotubes and reaction mechanism for CO oxidation.

Science.gov (United States)

Ali, Sajjad; Fu Liu, Tian; Lian, Zan; Li, Bo; Sheng Su, Dang

2017-08-23

The mechanism of CO oxidation by O 2 on a single Au atom supported on pristine, mono atom vacancy (m), di atom vacancy (di) and the Stone Wales defect (SW) on single walled carbon nanotube (SWCNT) surface is systematically investigated theoretically using density functional theory. We determine that single Au atoms can be trapped effectively by the defects on SWCNTs. The defects on SWCNTs can enhance both the binding strength and catalytic activity of the supported single Au atom. Fundamental aspects such as adsorption energy and charge transfer are elucidated to analyze the adsorption properties of CO and O 2 and co-adsorption of CO and O 2 molecules. It is found that CO binds stronger than O 2 on Au supported SWCNT. We clearly demonstrate that the defected SWCNT surface promotes electron transfer from the supported single Au atom to O 2 molecules. On the other hand, this effect is weaker for pristine SWCNTs. It is observed that the high density of spin-polarized states are localized in the region of the Fermi level due to the strong interactions between Au (5d orbital) and the adjacent carbon (2p orbital) atoms, which influence the catalytic performance. In addition, we elucidate both the Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms of CO oxidation by O 2 . For the LH pathway, the barriers of the rate-limiting step are calculated to be 0.02 eV and 0.05 eV for Au/m-SWCNT and Au/di-SWCNT, respectively. To regenerate the active sites, an ER-like reaction occurs to form a second CO 2 molecule. The ER pathway is observed on Au/m-SWCNT, Au/SW-SWCNT and Au/SWCNT in which the Au/m-SWCNT has a smaller barrier. The comparison with a previous study (Lu et al., J. Phys. Chem. C, 2009, 113, 20156-20160.) indicates that the curvature effect of SWCNTs is important for the catalytic property of the supported single Au. Overall, Au/m-SWCNT is identified as the most active catalyst for CO oxidation compared to pristine SWCNT, SW-SWCNT and di-SWCNT. Our findings give a

Toward the Atomic-Level Mass Analysis of Biomolecules by the Scanning Atom Probe.

Science.gov (United States)

Nishikawa, Osamu; Taniguchi, Masahiro

2017-04-01

In 1994, a new type of atom probe instrument, named the scanning atom probe (SAP), was proposed. The unique feature of the SAP is the introduction of a small extraction electrode, which scans over a specimen surface and confines the high field, required for field evaporation of surface atoms in a small space, between the specimen and the electrode. Thus, the SAP does not require a sharp specimen tip. This indicates that the SAP can mass analyze the specimens which are difficult to form in a sharp tip, such as organic materials and biomolecules. Clean single wall carbon nanotubes (CNT), made by high-pressure carbon monoxide process are found to be the best substrates for biomolecules. Various amino acids and dipeptide biomolecules were successfully mass analyzed, revealing characteristic clusters formed by strongly bound atoms in the specimens. The mass analysis indicates that SAP analysis of biomolecules is not only qualitative, but also quantitative.

Asymmetric transmission in planar chiral split-ring metamaterials: Microscopic Lorentz-theory approach

DEFF Research Database (Denmark)

Novitsky, Andrey; Galynsky, Vladimir M.; Zhukovsky, Sergei

2012-01-01

The electronic Lorentz theory is employed to explain the optical properties of planar split-ring metamaterials. Starting from the dynamics of individual free carriers, the electromagnetic response of an individual split-ring meta-atom is determined, and the effective permittivity tensor...... of the metamaterial is calculated for normal incidence of light. Whenever the split ring lacks in-plane mirror symmetry, the corresponding permittivity tensor has a crystallographic structure of an elliptically dichroic medium, and the metamaterial exhibits optical properties of planar chiral structures. Its...... transmission spectra are different for right-handed versus left-handed circular polarization of the incident wave, so the structure changes its transmittance when the direction of incidence is reversed. The magnitude of this change is shown to be related to the geometric parameters of the split ring...

A low-temperature synthesis of electrochemical active Pt nanoparticles and thin films by atomic layer deposition on Si(111) and glassy carbon surfaces

Energy Technology Data Exchange (ETDEWEB)

Liu, Rui [Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125 (United States); Han, Lihao [Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125 (United States); Photovoltaic Materials and Devices (PVMD) Laboratory, Delft University of Technology, P.O. Box 5031, GA Delft 2600 (Netherlands); Huang, Zhuangqun; Ferrer, Ivonne M. [Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125 (United States); Division of Chemistry and Chemical Engineering, California Institute of Technology, 210 Noyes Laboratory 127-72, Pasadena, CA 91125 (United States); Smets, Arno H.M.; Zeman, Miro [Photovoltaic Materials and Devices (PVMD) Laboratory, Delft University of Technology, P.O. Box 5031, GA Delft 2600 (Netherlands); Brunschwig, Bruce S., E-mail: bsb@caltech.edu [Beckman Institute, California Institute of Technology, Pasadena, CA 91125 (United States); Lewis, Nathan S., E-mail: nslewis@caltech.edu [Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125 (United States); Beckman Institute, California Institute of Technology, Pasadena, CA 91125 (United States); Division of Chemistry and Chemical Engineering, California Institute of Technology, 210 Noyes Laboratory 127-72, Pasadena, CA 91125 (United States); Kavli Nanoscience Institute, California Institute of Technology, Pasadena, CA 91125 (United States)

2015-07-01

Atomic layer deposition (ALD) was used to deposit nanoparticles and thin films of Pt onto etched p-type Si(111) wafers and glassy carbon discs. Using precursors of MeCpPtMe{sub 3} and ozone and a temperature window of 200–300 °C, the growth rate was 80–110 pm/cycle. X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and scanning electron microscopy (SEM) were used to analyze the composition, structure, morphology, and thickness of the ALD-grown Pt nanoparticle films. The catalytic activity of the ALD-grown Pt for the hydrogen evolution reaction was shown to be equivalent to that of e-beam evaporated Pt on glassy carbon electrode. - Highlights: • Pure Pt films were grown by atomic layer deposition (ALD) using MeCpPtMe3 and ozone. • ALD-grown Pt thin films had high growth rates of 110 pm/cycle. • ALD-grown Pt films were electrocatalytic for hydrogen evolution from water. • Electrocatalytic activity of the ALD Pt films was equivalent to e-beam deposited Pt. • No carbon species were detected in the ALD-grown Pt films.

A low-temperature synthesis of electrochemical active Pt nanoparticles and thin films by atomic layer deposition on Si(111) and glassy carbon surfaces

International Nuclear Information System (INIS)

Liu, Rui; Han, Lihao; Huang, Zhuangqun; Ferrer, Ivonne M.; Smets, Arno H.M.; Zeman, Miro; Brunschwig, Bruce S.; Lewis, Nathan S.

2015-01-01

Atomic layer deposition (ALD) was used to deposit nanoparticles and thin films of Pt onto etched p-type Si(111) wafers and glassy carbon discs. Using precursors of MeCpPtMe 3 and ozone and a temperature window of 200–300 °C, the growth rate was 80–110 pm/cycle. X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and scanning electron microscopy (SEM) were used to analyze the composition, structure, morphology, and thickness of the ALD-grown Pt nanoparticle films. The catalytic activity of the ALD-grown Pt for the hydrogen evolution reaction was shown to be equivalent to that of e-beam evaporated Pt on glassy carbon electrode. - Highlights: • Pure Pt films were grown by atomic layer deposition (ALD) using MeCpPtMe3 and ozone. • ALD-grown Pt thin films had high growth rates of 110 pm/cycle. • ALD-grown Pt films were electrocatalytic for hydrogen evolution from water. • Electrocatalytic activity of the ALD Pt films was equivalent to e-beam deposited Pt. • No carbon species were detected in the ALD-grown Pt films

The cryogenic storage ring CSR

Science.gov (United States)

von Hahn, R.; Becker, A.; Berg, F.; Blaum, K.; Breitenfeldt, C.; Fadil, H.; Fellenberger, F.; Froese, M.; George, S.; Göck, J.; Grieser, M.; Grussie, F.; Guerin, E. A.; Heber, O.; Herwig, P.; Karthein, J.; Krantz, C.; Kreckel, H.; Lange, M.; Laux, F.; Lohmann, S.; Menk, S.; Meyer, C.; Mishra, P. M.; Novotný, O.; O'Connor, A. P.; Orlov, D. A.; Rappaport, M. L.; Repnow, R.; Saurabh, S.; Schippers, S.; Schröter, C. D.; Schwalm, D.; Schweikhard, L.; Sieber, T.; Shornikov, A.; Spruck, K.; Sunil Kumar, S.; Ullrich, J.; Urbain, X.; Vogel, S.; Wilhelm, P.; Wolf, A.; Zajfman, D.

2016-06-01

An electrostatic cryogenic storage ring, CSR, for beams of anions and cations with up to 300 keV kinetic energy per unit charge has been designed, constructed, and put into operation. With a circumference of 35 m, the ion-beam vacuum chambers and all beam optics are in a cryostat and cooled by a closed-cycle liquid helium system. At temperatures as low as (5.5 ± 1) K inside the ring, storage time constants of several minutes up to almost an hour were observed for atomic and molecular, anion and cation beams at an energy of 60 keV. The ion-beam intensity, energy-dependent closed-orbit shifts (dispersion), and the focusing properties of the machine were studied by a system of capacitive pickups. The Schottky-noise spectrum of the stored ions revealed a broadening of the momentum distribution on a time scale of 1000 s. Photodetachment of stored anions was used in the beam lifetime measurements. The detachment rate by anion collisions with residual-gas molecules was found to be extremely low. A residual-gas density below 140 cm-3 is derived, equivalent to a room-temperature pressure below 10-14 mbar. Fast atomic, molecular, and cluster ion beams stored for long periods of time in a cryogenic environment will allow experiments on collision- and radiation-induced fragmentation processes of ions in known internal quantum states with merged and crossed photon and particle beams.

The cryogenic storage ring CSR.

Science.gov (United States)

von Hahn, R; Becker, A; Berg, F; Blaum, K; Breitenfeldt, C; Fadil, H; Fellenberger, F; Froese, M; George, S; Göck, J; Grieser, M; Grussie, F; Guerin, E A; Heber, O; Herwig, P; Karthein, J; Krantz, C; Kreckel, H; Lange, M; Laux, F; Lohmann, S; Menk, S; Meyer, C; Mishra, P M; Novotný, O; O'Connor, A P; Orlov, D A; Rappaport, M L; Repnow, R; Saurabh, S; Schippers, S; Schröter, C D; Schwalm, D; Schweikhard, L; Sieber, T; Shornikov, A; Spruck, K; Sunil Kumar, S; Ullrich, J; Urbain, X; Vogel, S; Wilhelm, P; Wolf, A; Zajfman, D

2016-06-01

An electrostatic cryogenic storage ring, CSR, for beams of anions and cations with up to 300 keV kinetic energy per unit charge has been designed, constructed, and put into operation. With a circumference of 35 m, the ion-beam vacuum chambers and all beam optics are in a cryostat and cooled by a closed-cycle liquid helium system. At temperatures as low as (5.5 ± 1) K inside the ring, storage time constants of several minutes up to almost an hour were observed for atomic and molecular, anion and cation beams at an energy of 60 keV. The ion-beam intensity, energy-dependent closed-orbit shifts (dispersion), and the focusing properties of the machine were studied by a system of capacitive pickups. The Schottky-noise spectrum of the stored ions revealed a broadening of the momentum distribution on a time scale of 1000 s. Photodetachment of stored anions was used in the beam lifetime measurements. The detachment rate by anion collisions with residual-gas molecules was found to be extremely low. A residual-gas density below 140 cm(-3) is derived, equivalent to a room-temperature pressure below 10(-14) mbar. Fast atomic, molecular, and cluster ion beams stored for long periods of time in a cryogenic environment will allow experiments on collision- and radiation-induced fragmentation processes of ions in known internal quantum states with merged and crossed photon and particle beams.

The cryogenic storage ring CSR

Energy Technology Data Exchange (ETDEWEB)

Hahn, R. von; Becker, A.; Berg, F.; Blaum, K.; Fadil, H.; Fellenberger, F.; Froese, M.; George, S.; Göck, J.; Grieser, M.; Grussie, F.; Guerin, E. A.; Herwig, P.; Karthein, J.; Krantz, C.; Kreckel, H.; Lange, M.; Laux, F.; Lohmann, S.; Menk, S. [Max-Planck-Institut für Kernphysik, 69117 Heidelberg (Germany); and others

2016-06-15

An electrostatic cryogenic storage ring, CSR, for beams of anions and cations with up to 300 keV kinetic energy per unit charge has been designed, constructed, and put into operation. With a circumference of 35 m, the ion-beam vacuum chambers and all beam optics are in a cryostat and cooled by a closed-cycle liquid helium system. At temperatures as low as (5.5 ± 1) K inside the ring, storage time constants of several minutes up to almost an hour were observed for atomic and molecular, anion and cation beams at an energy of 60 keV. The ion-beam intensity, energy-dependent closed-orbit shifts (dispersion), and the focusing properties of the machine were studied by a system of capacitive pickups. The Schottky-noise spectrum of the stored ions revealed a broadening of the momentum distribution on a time scale of 1000 s. Photodetachment of stored anions was used in the beam lifetime measurements. The detachment rate by anion collisions with residual-gas molecules was found to be extremely low. A residual-gas density below 140 cm{sup −3} is derived, equivalent to a room-temperature pressure below 10{sup −14} mbar. Fast atomic, molecular, and cluster ion beams stored for long periods of time in a cryogenic environment will allow experiments on collision- and radiation-induced fragmentation processes of ions in known internal quantum states with merged and crossed photon and particle beams.

Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking

Science.gov (United States)

Ortiz, Yenni P.; Stegmann, Thomas; Klein, Douglas J.; Seligman, Thomas H.

2017-09-01

We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. We found that the spectra of the vibrational modes distinguish the different configurations. For more regular adsorption schemes the lowest states are bending and torsion modes of the skeleton, which are essentially followed by the adsorbate. On poly-p-phenylenes we found that lithium adsorption reduces and often eliminates the torsion between rings thus increasing symmetry. There is spontaneous symmetry breaking in poly-p-phenylenes due to double adsorption of lithium atoms on alternating rings.

Manipulation and analysis of a single dopant atom in GaAs

NARCIS (Netherlands)

Wijnheijmer, A.P.

2011-01-01

This thesis focuses on the manipulation and analysis of single dopant atoms in GaAs by scanning tunneling microscopy (STM) and spectroscopy (STS) at low temperatures. The observation of ionization rings is one of the key results, showing that we can control the charge state of a single dopant atom

Radiocarbon concentration in modern tree rings from Valladolid, Spain

International Nuclear Information System (INIS)

Rakowski, Andrzej Z.; Nakamura, Toshio; Pazdur, Anna; Charro, Elena; Villanueva, Jose Luis Gutierrez; Piotrowska, Natalia

2010-01-01

New results of radiocarbon concentration in tree rings from the City of Valladolid (Spain) covering a growth period of 22 year have been measured using an AMS. Samples were taken using a hollow drill from a living tree, and α-cellulose was extracted from each of annual rings (early and late wood separately). The set of data shows lower radiocarbon concentration than that reported for 'clean air' at the reference station, indicating a remarkable input of 'dead' CO 2 of fossil fuel origin. Using data of carbon dioxide and 14 C concentrations from Schauinsland, the corresponding summer and winter values of the fossil component (c f ) in carbon dioxide were calculated for the City of Valladolid. By fitting exponential and linear functions to the experimental data, the exchange time was calculated, and the expected future 14 C concentration in the atmosphere was estimated.

Stability of gold atoms and dimers adsorbed on graphene

International Nuclear Information System (INIS)

Varns, R; Strange, P

2008-01-01

We report density functional theory (DFT) calculations for gold atoms and dimers on the surface of graphene. The calculations were performed using the plane wave pseudopotential method. Calculations were performed for a variety of geometries, and both the graphene surface and gold atoms were allowed to fully relax. In agreement with experiment, our results show that the gold-gold interaction is considerably stronger than the gold-graphene interaction, implying that uniform coverage could not be attained. The minimum energy configuration for a single gold atom is found to be directly above a carbon atom, while for the dimer it is perpendicular to the surface and directly above a carbon-carbon bond. Our results are consistent with previous similar calculations

Bibliography of electron and photon cross sections with atoms and molecules published in the 20th century. Carbon dioxide

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Makoto [Gaseous Electronics Institute, Nagoya, Aichi (Japan)

2003-04-01

A bibliography of original and review reports of experiments or theories of electron and photon cross sections and also electron swarm data are presented for atomic or molecular species with specified targets. These works covered 17 atoms and 51 molecules. The present bibliography is only for carbon dioxide (CO{sub 2}). About 1,240 papers were compiled. A comprehensive author index is included. The bibliography covers the period 1901 through 2000 for CO{sub 2}. Finally, author's comments for CO{sub 2} electron collision cross sections are given. (author)

Bibliography of electron and photon cross sections with atoms and molecules published in the 20th century. Carbon dioxide

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Makoto [Gaseous Electronics Institute, Nagoya, Aichi (Japan)

2003-04-01

A bibliography of original and review reports of experiments or theories of electron and photon cross sections and also electron swarm data are presented for atomic or molecular species with specified targets. These works covered 17 atoms and 51 molecules. The present bibliography is only for carbon dioxide (CO{sub 2}). About 1,240 papers were compiled. A comprehensive author index is included. The bibliography covers the period 1901 through 2000 for CO{sub 2}. Finally, author's comments for CO{sub 2} electron collision cross sections are given. (author)

Experimentqal and analytical study on thermocracking of alumina ceramic ring in a mechanical seal

Science.gov (United States)

Komiya, M.; Matsuda, K.; Kaneta, M.

1994-04-01

A mechanism of thermocracking, which occurs in an alumina ceramic ring of a mechanical face seal, is proposed based on experimental and analytical results. Methods for its prevention are also discussed. The experiments were conducted using an external type mechanical face seal composed of a carbon ring and three kinds of alumina ceramic rings, with distilled water as the liquid to be sealed. By using a layer of gold vacuum deposited onto the surface of the ceramic ring as a part of a DC circuit, the moment of crack initiation was identified. The thermal stresses produced in the ceramic ring by frictional heating were calculated using finite element analysis.

Launch Vehicle Performance for Bipropellant Propulsion Using Atomic Propellants With Oxygen

Science.gov (United States)

Palaszewski, Bryan

2000-01-01

Atomic propellants for bipropellant launch vehicles using atomic boron, carbon, and hydrogen were analyzed. The gross liftoff weights (GLOW) and dry masses of the vehicles were estimated, and the 'best' design points for atomic propellants were identified. Engine performance was estimated for a wide range of oxidizer to fuel (O/F) ratios, atom loadings in the solid hydrogen particles, and amounts of helium carrier fluid. Rocket vehicle GLOW was minimized by operating at an O/F ratio of 1.0 to 3.0 for the atomic boron and carbon cases. For the atomic hydrogen cases, a minimum GLOW occurred when using the fuel as a monopropellant (O/F = 0.0). The atomic vehicle dry masses are also presented, and these data exhibit minimum values at the same or similar O/F ratios as those for the vehicle GLOW. A technology assessment of atomic propellants has shown that atomic boron and carbon rocket analyses are considered to be much more near term options than the atomic hydrogen rockets. The technology for storing atomic boron and carbon has shown significant progress, while atomic hydrogen is not able to be stored at the high densities needed for effective propulsion. The GLOW and dry mass data can be used to estimate the cost of future vehicles and their atomic propellant production facilities. The lower the propellant's mass, the lower the overall investment for the specially manufactured atomic propellants.

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN2 and C2Cl6

International Nuclear Information System (INIS)

Pang Linlin; Bi Jianqiang; Bai Yujun; Qi Yongxin; Zhu Huiling; Wang Chengguo; Wu Jiwei; Lu Chengwei

2008-01-01

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN 2 and C 2 Cl 6 . X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C≡N peak in the infrared spectra, further verify the formation of graphite-like sp 2 -bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N

Design, Synthesis, and Applications of Carbon Nanohoops

Science.gov (United States)

2016-05-23

rings via one electron reduction reactions was feasible. Therefore, the synthesis and spectroscopic investigations of these ring systems by reducing...Release; Distribution Unlimited UU UU UU UU 23-05-2016 15-Feb-2012 14-Feb-2016 Final Report: Design, Synthesis , and Applications of Carbon Nanohoops The...Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Caron Nanohoops, paracyclophanes, carbon nanotubes, organic synthesis REPORT

Tandem radical reactions and ring-closing metathesis. Application in the synthesis of cyclooctenes.

Science.gov (United States)

Sibi, Mukund P; Aasmul, Mona; Hasegawa, Hikaru; Subramanian, Thangaiah

2003-08-07

[reaction: see text] Fumarate- and acrylate-substituted oxazolidinones undergo tandem radical reaction to form dienes in moderate to good yields. The resulting dienes provide cyclooctenes in moderate to good yields after ring-closing metathesis (RCM). The role of the carbon backbone substituents and other variables in the efficiency of the eight-membered ring formation is discussed.

The atomic arrangement of iimoriite-(Y), Y2(SiO4)(CO3)

Science.gov (United States)

Hughes, J.M.; Foord, E.E.; Jai-Nhuknan, J.; Bell, J.M.

1996-01-01

Iimoriite-(Y) from Bokan Mountain, Prince of Wales Island, Alaska has been studied using single-crystal X-ray-diffraction techniques. The mineral, ideally Y2(SiO4)(CO3), crystallizes in space group P1, with a 6.5495(13), b 6.6291(14), c 6.4395(11)A??, ?? 116.364(15), ?? 92.556(15) and ?? 95.506(17)??. The atomic arrangement has been solved and refined to an R value of 0.019. The arrangement of atoms consists of alternating (011) slabs of orthosilicate groups and carbonate groups, with no sharing of oxygen atoms between anionic complexes in adjacent slabs. Y1 atoms separate adjacent tetrahedra along [100] within the orthosilicate slab, and Y2 atoms separate adjacent carbonate groups along [100] within the carbonate slab. Adjacent orthosilicate and carbonate slabs are linked in (100) by bonding Y atoms from each slab to oxygen atoms of adjacent slabs, in the form of YO8 polyhedra. The Y1 atoms exist in Y12O14 dimers in the orthosilicate slab, and the Y2 atoms exist in continuous [011] ribbons of edge-sharing Y2O8 polyhedra in the carbonate slab.

Reaction of hydrogen atoms with acrylaldehyde

International Nuclear Information System (INIS)

Koda, Seiichiro; Nakamura, Kazumoto; Hoshino, Takashi; Hikita, Tsutomu

1978-01-01

The reaction of hydrogen atoms with acrylaldehyde was investigated in a fast flow reactor equipped with a time-of-flight type mass spectrometer under reduced pressure. Main reaction products were carbon monoxide, ethylene, ethane, methane, and propanal. Consideration of the distributions of the reaction products under various reaction conditions showed that hydrogen atoms attacked the C=C double bond, especially its inner carbon side under reduced pressure. Resulting hot radicals caused subsequent reactions. The relative value of the apparent bimolecular rate constant of the reaction against that of trans-2-butene with hydrogen atoms was 1.6+-0.2, which supported the above-mentioned initial reaction. (auth.)

Ring Theory

CERN Document Server

Jara, Pascual; Torrecillas, Blas

1988-01-01

The papers in this proceedings volume are selected research papers in different areas of ring theory, including graded rings, differential operator rings, K-theory of noetherian rings, torsion theory, regular rings, cohomology of algebras, local cohomology of noncommutative rings. The book will be important for mathematicians active in research in ring theory.

Simple atom trap in a conical hollow mirror: Numerical analysis

International Nuclear Information System (INIS)

Kim, J. A.; Lee, K. I.; Nha, H.; Noh, H. R.; Yoo, S. H.; Jhe, W

1996-01-01

We analyze the trap dynamic in a conical hollow (axicon) mirror system. Atom's trajectory is ring shaped if we move the coil (magnetic field) axis off the mirror axis and if we overlap these two axes trap cloud is ball shaped and it is consistent with experiment. We also make a simple comparison between 6-beam MOT and axicon MOT in the ball shaped case, and it shows that at low velocity limit the axicon MOT and typical 6-beam MOT have nearly same trap properties. The axicon trap may be useful as precooled atom source for many other atomic physics experiments such as cold atomic beam, atom funnel, and atom waveguide.

Detailed studies of a high-density polarized hydrogen gas target for storage rings

International Nuclear Information System (INIS)

Zapfe, K.; Brueckner, W.; Gaul, H.G.; Grieser, M.; Lin, M.T.; Moroz, Z.; Povh, B.; Rall, M.; Stechert, B.; Steffens, E.; Stenger, J.; Stock, F.; Tonhaeuser, J.; Montag, C.; Rathmann, F.; Fick, D.; Braun, B.; Graw, G.; Haeberli, W.

1996-01-01

A high-density target of polarized atomic hydrogen gas for applications in storage rings was produced by injecting atoms from an atomic beam source into a T-shaped storage cell. The influence of the internal gas target on electron-cooled beams of 27 MeV α-particles and 23 MeV protons in the Heidelberg Test Storage Ring has been studied in detail. Target polarization and target thickness were measured by means of 27 MeV α-particles. For hyperfine states 1+2 a target thickness of n=(0.96±0.04) x 10 14 H/cm 2 was achieved with the cell walls cooled to 100 K. Working with a weak magnetic holding field (∼5 G) the maximum target polarization was P T =0.84±0.02 when state 1 and P T =0.46±0.01 when states 1+2 were injected. The target polarization was found to be constant over a period of 3 months with a net charge of Q∼100 C passing the storage cell. (orig.)

Atomization mechanisms for barium in furnace atomic absorption spectrometry

International Nuclear Information System (INIS)

Styris, D.L.

1984-01-01

Atomic absorption spectrometry and mass spectrometry are used simultaneously in order to elucidate atomization mechanisms of barium dichloride in pyrolytic graphite, vitreous carbon, and tantalum furnaces. Gas-phase barium dicarbide is observed to appear concurrently with the free barium. Barium oxide and barium dihydroxide precursors appear with the chlorides. Surface reactions involving species that are absorbed on the various furnaces are postulated to explain the appearances of the species that are observed in the gas phase. 49 references, 4 figures, 1 table

Report of the eRHIC Ring-Ring Working Group

Energy Technology Data Exchange (ETDEWEB)

Aschenauer, E. C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Berg, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Blaskiewicz, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Brennan, M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fedotov, A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Fischer, W. [Brookhaven National Lab. (BNL), Upton, NY (United States); Litvinenko, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Montag, C. [Brookhaven National Lab. (BNL), Upton, NY (United States); Palmer, R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Parker, B. [Brookhaven National Lab. (BNL), Upton, NY (United States); Peggs, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ptitsyn, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States); Tepikian, S. [Brookhaven National Lab. (BNL), Upton, NY (United States); Trbojevic, D. [Brookhaven National Lab. (BNL), Upton, NY (United States); Willeke, F. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2015-10-13

This report evaluates the ring-ring option for eRHIC as a lower risk alternative to the linac-ring option. The reduced risk goes along with a reduced initial luminosity performance. However, a luminosity upgrade path is kept open. This upgrade path consists of two branches, with the ultimate upgrade being either a ring-ring or a linac-ring scheme. The linac-ring upgrade could be almost identical to the proposed linac-ring scheme, which is based on an ERL in the RHIC tunnel. This linac-ring version has been studied in great detail over the past ten years, and its significant risks are known. On the other hand, no detailed work on an ultimate performance ring-ring scenario has been performed yet, other than the development of a consistent parameter set. Pursuing the ring-ring upgrade path introduces high risks and requires significant design work that is beyond the scope of this report.

Development of a hydrogen and deuterium polarized gas target for application in storage rings

International Nuclear Information System (INIS)

Haeberli, W.

1991-01-01

The present report contains the progress report for the second year of the 3-year budget period, and proposes work for the third year. Progress has been made on the two major components of the project, the tests of storage cells for polarized atoms under various operating conditions, and the construction of a new atomic beam source which conforms to the high vacuum requirements of storage rings

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

International Nuclear Information System (INIS)

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

2001-01-01

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

Radiation damage in carbon-carbon composites

International Nuclear Information System (INIS)

Burchell, T.D.; Eartherly, W.P.; Nelson, G.E.

1992-01-01

Graphite and carbon-carbon composite materials are widely used in plasma facing applications in current Tokamak devices such as TFTR and DIIID in the USA, JET, Tore Supra and TEXTOR in Europe, and JT-60U in Japan. Carbon-carbon composites are attractive choices for Tokamak limiters and diverters because of their low atomic number, high thermal shock resistance, high melting point, and high thermal conductivity. Next generation machines such as the International Thermonuclear Experimental Reactor (ITER) will utilize carbon-carbon composites in their first wall and diverter. ITER will be an ignition machine and thus will produce substantial neutron fluences from the D-T fusion reaction. The resultant high energy neutrons will cause carbon atom displacements in the plasma facing materials which will markedly affect their structure and physical properties. The effect of neutron damage on graphite has been studied for over forty years. Recently the effects of neutron irradiation on the fusion relevant graphite GraphNOL N3M was reviewed. In contrast to graphite, relatively little work has been performed to elucidate the effects of neutron irradiation on carbon-carbon composites. The results of our previous irradiation experiments have been published elsewhere. Here the irradiation induced dimensional changes in 1D, 2D, and 3D carbon-carbon composites are reported for fluences up to 4.7 dpa at an irradiation temperature of 600 degree C

Commissioning of the Cryogenic Plant for the Cryogenic Storage Ring (CSR) at Heidelberg

CERN Document Server

von Hahn, R; Grieser, M; Haberstroh, C; Kaiser, D; Lange, M; Laux, F; Menk, S; Orlov, D A; Repnow, R; Sieber, T; Quack, H; Varju, J; Wolf A

2009-01-01

At the Max-Planck-Institute for Nuclear Physics in Heidelberg a next generation electrostatic storage ring for low velocity atomic and molecular ion beams is under construction. In contrast to existing electrostatic storage rings, the Cryogenic Storage Ring CSR will be cooled down to temperatures below 2 K. Thus acting as a large cryopump it will provide long storage times and, in addition, open a new field of quantum state controlled molecular physics due to a low heat radiation background from space-like environment. A concept for cooling the storage ring has been developed and is presently tested by means of a linear trap as a prototype with a length of 1/10 of the planned ring. A commercial refrigerator with 21 W at 2 K has been successfully commissioned and was connected to the prototype. This paper presents the status of the cryogenic plant after the commissioning and one year of operation.

Observation of carbon growth and interface structures in methanol solution

Science.gov (United States)

Okuno, Kimio

2015-11-01

In the deposition of carbon on the surface of a tungsten tip in methanol solution by electrolysis, the growth structure of the carbon films, the interface state, and the dissolution of carbon atoms into the tungsten matrix of the substrate have been investigated with the atomic events by field ion microscopy (FIM). The carbon films preferentially condense on the W{111} plane. The interfacial reaction at the carbon atom-tungsten substrate interface is vigorous and the carbon atoms also readily dissolve into the substrate matrix to form a tungsten-carbon complex. The reaction depth of the deposited carbon depends on the magnitude of electrolytic current and the treatment duration in the methanol solution. In this work, the resolution depth of carbon was found to be approximately 270 atomic layers below the top layer of the tungsten substrate by a field evaporation technique. In the case of a low electrolytic current, the tungsten substrate surface is entirely covered with carbon atoms having a pseudomorphic structure. The field-electron emission characteristics were also evaluated for various coverages of the carbon film formed on the substrate.

A simple nonbinary scattering model applicable to atomic collisions is crystals at 1ow energies

DEFF Research Database (Denmark)

Andersen, Hans Henrik; Sigmund, Peter

1966-01-01

the asymptotic velocities of the ring atoms as well as the energy loss of the projectile. Furthermore, it can be decided whether the projectile is reflected by the ring. Both the feasibility of assumptions specifying the problem and the validity of different approximations made in the transformation from...... previously. Inelastic contributions to the energy loss can easily be included. The oscillator forces binding lattice atoms turn out to influence the scattering process only at very small energies. The validity of the so-called momentum approximation and a related perturbation method are also investigated....

Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction.

Science.gov (United States)

Li, Qiheng; Chen, Wenxing; Xiao, Hai; Gong, Yue; Li, Zhi; Zheng, Lirong; Zheng, Xusheng; Yan, Wensheng; Cheong, Weng-Chon; Shen, Rongan; Fu, Ninghua; Gu, Lin; Zhuang, Zhongbin; Chen, Chen; Wang, Dingsheng; Peng, Qing; Li, Jun; Li, Yadong

2018-06-01

Heteroatom-doped Fe-NC catalyst has emerged as one of the most promising candidates to replace noble metal-based catalysts for highly efficient oxygen reduction reaction (ORR). However, delicate controls over their structure parameters to optimize the catalytic efficiency and molecular-level understandings of the catalytic mechanism are still challenging. Herein, a novel pyrrole-thiophene copolymer pyrolysis strategy to synthesize Fe-isolated single atoms on sulfur and nitrogen-codoped carbon (Fe-ISA/SNC) with controllable S, N doping is rationally designed. The catalytic efficiency of Fe-ISA/SNC shows a volcano-type curve with the increase of sulfur doping. The optimized Fe-ISA/SNC exhibits a half-wave potential of 0.896 V (vs reversible hydrogen electrode (RHE)), which is more positive than those of Fe-isolated single atoms on nitrogen codoped carbon (Fe-ISA/NC, 0.839 V), commercial Pt/C (0.841 V), and most reported nonprecious metal catalysts. Fe-ISA/SNC is methanol tolerable and shows negligible activity decay in alkaline condition during 15 000 voltage cycles. X-ray absorption fine structure analysis and density functional theory calculations reveal that the incorporated sulfur engineers the charges on N atoms surrounding the Fe reactive center. The enriched charge facilitates the rate-limiting reductive release of OH* and therefore improved the overall ORR efficiency. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fullerenes, nanotubes, onions and related carbon structures

Energy Technology Data Exchange (ETDEWEB)

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

Biological effects induced by K photo-ionisation in and near constituent atoms of DNA

International Nuclear Information System (INIS)

Touati, A.; Herve du Penhoot, M.A.; Fayard, B.; Champion, C.; Abel, F.; Gobert, F.; Lamoureux, M.; Politis, M.F.; Martins, L.; Ricoul, M.; Sabatier, L.; Sage, E.; Chetioui, A.

2002-01-01

In order to assess the lethal efficiency and other biological effects of inner shell ionisations of constituent atoms of DNA ('K' events), experiments were developed at the LURE synchrotron facility using ultrasoft X rays as a probe of K events. The lethal efficiency of ultrasoft X rays above the carbon K threshold was especially investigated using V79 cells and compared with their efficiency to induce double strand breaks in dry plasmid-DNA. A correlation between the K event efficiencies for these processes is shown. Beams of 340 eV were found to be twice as efficient at killing cells than were beams at 250 eV. In addition, a rough two-fold increase of the relative biological effectiveness for dicentric+ring induction has also been observed between 250 and 340 eV radiations. (author)

Radiation densitometry in tree-ring analysis: a review and procedure manual

Energy Technology Data Exchange (ETDEWEB)

Parker, M.L.; Taylor, F.G.; Doyle, T.W.; Foster, B.E.; Cooper, C.; West, D.C.

1985-01-01

An x-ray densitometry of wood facility is being established by the Environmental Sciences Division, Oak Ridge Natioanl Laboratory (ORNL). The objective is to apply tree-ring data to determine whether or not there is a fertilizer effect on tree growth from increased atmospheric carbon dioxide since the beginning of the industrial era. Intra-ring width and density data, including ring-mass will be detemined from tree-ring samples collected from sites located throughout the United States and Canada. This report is designed as a guide to assist ORNL scientists in building the x-ray densitometry system. The history and development of x-ray densitometry in tree-ring research is examined and x-ray densitometry is compared with other techniques. Relative wood and tree characteristics are described as are environmental and genetic factors affecting tree growth responses. Methods in x-ray densitometry are examined in detail and the techniques used at four operating laboratories are described. Some ways that dendrochronology has been applied in dating, in wood quality, and environmental studies are presented, and a number of tree-ring studies in Canada are described. An annotated bibliography of radiation densitometry in tree-ring analysis and related subjects is included.

Radiation densitometry in tree-ring analysis: a review and procedure manual

International Nuclear Information System (INIS)

Parker, M.L.; Taylor, F.G.; Doyle, T.W.; Foster, B.E.; Cooper, C.; West, D.C.

1985-01-01

An x-ray densitometry of wood facility is being established by the Environmental Sciences Division, Oak Ridge Natioanl Laboratory (ORNL). The objective is to apply tree-ring data to determine whether or not there is a fertilizer effect on tree growth from increased atmospheric carbon dioxide since the beginning of the industrial era. Intra-ring width and density data, including ring-mass will be detemined from tree-ring samples collected from sites located throughout the United States and Canada. This report is designed as a guide to assist ORNL scientists in building the x-ray densitometry system. The history and development of x-ray densitometry in tree-ring research is examined and x-ray densitometry is compared with other techniques. Relative wood and tree characteristics are described as are environmental and genetic factors affecting tree growth responses. Methods in x-ray densitometry are examined in detail and the techniques used at four operating laboratories are described. Some ways that dendrochronology has been applied in dating, in wood quality, and environmental studies are presented, and a number of tree-ring studies in Canada are described. An annotated bibliography of radiation densitometry in tree-ring analysis and related subjects is included

Influence of disorder on localization and density of states in amorphous carbon nitride thin films systems rich in π-bonded carbon atoms

International Nuclear Information System (INIS)

Alibart, F.; Lejeune, M.; Durand Drouhin, O.; Zellama, K.; Benlahsen, M.

2010-01-01

We discuss in this paper the evolution of both the density of states (DOS) located between the band-tail states and the DOS around the Fermi level N(E F ) in amorphous carbon nitride films (a-CN x ) as a function of the total nitrogen partial pressure ratio in the Ar/N 2 plasma mixture. The films were deposited by three different deposition techniques and their microstructure was characterized using a combination of infrared and Raman spectroscopy and optical transmission experiments, completed with electrical conductivity measurements, as a function of temperature. The observed changes in the optoelectronic properties are attributed to the modification in the atomic bonding structures, which were induced by N incorporation, accompanied by an increase in the sp 2 carbon bonding configurations and their relative disorder. The electrical conductivity variation was interpreted in terms of local effects on the nature and energy distribution of π and π* states.

Performance of a hydrogen/deuterium polarized gas target in a storage ring

NARCIS (Netherlands)

van Buuren, L.D.; Szczerba, D.; van den Brand, J.F.J.; Bulten, H.J.; Klous, S.; Mul, F.A.; Poolman, H.R.; Simani, M.C.

2001-01-01

The performance of a hydrogen/deuterium polarized gas target in a storage ring is presented. The target setup consisted of an atomic beam source, a cryogenic storage cell and a Breit-Rabi polarimeter. High frequency transition units were constructed to produce vector polarized hydrogen and

Mass and lifetime measurements of exotic nuclei in storage rings

International Nuclear Information System (INIS)

Franzke, B.; Geissel, H.; Muenzenberg, G.

2007-11-01

Mass and lifetime measurements lead to the discovery and understanding of basic properties of matter. The isotopic nature of the chemical elements, nuclear binding, and the location and strength of nuclear shells are the most outstanding examples leading to the development of the first nuclear models. More recent are the discoveries of new structures of nuclides far from the valley of stability. A new generation of direct mass measurements which allows the exploration of extended areas of the nuclear mass surface with high accuracy has been opened up with the combination of the Experimental Storage Ring ESR and the FRragment Separator FRS at GSI Darmstadt. In-flight separated nuclei are stored in the ring. Their masses are directly determined from the revolution frequency. Dependent on the half-life two complementary methods are applied. Schottky Mass Spectrometry SMS relies on the measurement of the revolution frequency of electron cooled stored ions. The cooling time determines the lower half-life limit to the order of seconds. For Isochronous Mass Spectrometry IMS the ring is operated in an isochronous ion-optical mode. The revolution frequency of the individual ions coasting in the ring is measured using a time-of-flight method. Nuclides with lifetimes down to microseconds become accessible. With SMS masses of several hundreds nuclides have been measured simultaneously with an accuracy in the 2 x 10 -7 -range. This high accuracy and the ability to study large areas of the mass surface are ideal tools to discover new nuclear structure properties and to guide improvements for theoretical mass models. In addition, nuclear half-lives of stored bare and highly-charged ions have been measured. This new experimental development is a significant progress since nuclear decay characteristics are mostly known for neutral atoms. For bare and highly-charged ions new nuclear decay modes become possible, such as bound-state beta decay. Dramatic changes in the nuclear lifetime

Matrix effect on hydrogen-atom tunneling of organic molecules in cryogenic solids

International Nuclear Information System (INIS)

Ichikawa, Tsuneki

2000-01-01

Although the tunneling of atoms through potential energy barriers separating the reactant and reaction systems is not paid much attention in organic reactions, this plays an important role in reactions including the transfer of light atoms. Atomic tunneling is especially important for chemical reactions at low temperatures, since the thermal activation of reactant systems is very slow process in comparison with the tunneling. One of the typical reactions of atomic tunneling is hydrogen-atom abstraction from alkanes in cryogenic solids exposed to high-energy radiation. Irradiation of alkane molecules causes the homolytic cleavage of C-H bonds, which results in the pairwise formation of free hydrogen atoms and organic free radicals. Since the activation energies for the abstraction of hydrogen atoms from alkane molecules by free hydrogen atoms are higher than 5 kcal/mol, the lifetime of free hydrogen atoms at 77 K is estimated from the Arrhenius equation of k=vexp(-E a /RT) to be longer than 10 hrs. However, except for solid methane, free hydrogen atoms immediately convert to alkyl radicals even at 4.2 K by hydrogen-atom tunneling from alkane molecules to the free hydrogen atoms. The rate of hydrogen atom tunneling does not necessary increase with decreasing activation energy or the peak height of the potential energy barrier preventing the tunneling. Although the activation energy is the lowest at the tertiary carbon of alkanes, hydrogen atom tunneling from branched alkanes with tertiary carbon at the antepenultimate position of the carbon skeleton is the fastest at the secondary penultimate carbon. Based on our experimental results, we have proposed that the peculiarity of the hydrogen-atom abstraction in cryogenic solids comes from the steric hindrance by matrix molecules to the deformation of alkane molecules from the initial sp 3 to the final sp 2 configurations. The steric hindrance causes the increase of the height of the potential energy barrier for the

Summer precipitation influences the stable oxygen and carbon isotopic composition of tree-ring cellulose in Pinus ponderosa.

Science.gov (United States)

Roden, John S; Ehleringer, James R

2007-04-01

The carbon and oxygen isotopic composition of tree-ring cellulose was examined in ponderosa pine (Pinus ponderosa Dougl.) trees in the western USA to study seasonal patterns of precipitation inputs. Two sites (California and Oregon) had minimal summer rainfall inputs, whereas a third site (Arizona) received as much as 70% of its annual precipitation during the summer months (North American monsoon). For the Arizona site, both the delta(18)O and delta(13)C values of latewood cellulose increased as the fraction of annual precipitation occurring in the summer (July through September) increased. There were no trends in latewood cellulose delta(18)O with the absolute amount of summer rain at any site. The delta(13)C composition of latewood cellulose declined with increasing total water year precipitation for all sites. Years with below-average total precipitation tended to have a higher proportion of their annual water inputs during the summer months. Relative humidity was negatively correlated with latewood cellulose delta(13)C at all sites. Trees at the Arizona site produced latewood cellulose that was significantly more enriched in (18)O compared with trees at the Oregon or California site, implying a greater reliance on an (18)O-enriched water source. Thus, tree-ring records of cellulose delta(18)O and delta(13)C may provide useful proxy information about seasonal precipitation inputs and the variability and intensity of the North American monsoon.

Artificial electromagnetism for neutral atoms: Escher staircase and Laughlin liquids

International Nuclear Information System (INIS)

Mueller, Erich J.

2004-01-01

We present a method for creating fields that couple to neutral atoms in the same way that electromagnetic fields couple to charged particles. We show that this technique opens the door for a range of neutral atom experiments, including probing the interplay between periodic potentials and quantum Hall effects. Furthermore, we propose, and analyze, seemingly paradoxical geometries which can be engineered through these techniques. For example, we show how to create a ring of sites where an atom continuously reduces its potential energy by moving in a clockwise direction

ASSOCIATIVE RINGS SOLVED AS LIE RINGS

Directory of Open Access Journals (Sweden)

M. B. Smirnov

2011-01-01

Full Text Available The paper has proved that an associative ring which is solvable of a n- class as a Lie ring has a nilpotent ideal of the nilpotent class not more than 3×10n–2  and a corresponding quotient ring satisfies an identity [[x1, x2, [x3, x4

Effects of elevated CO2 concentration on growth, annual ring structure and photosynthesis in Larix kaempferi seedlings

International Nuclear Information System (INIS)

Yazaki, K.; Ishida, S.; Kawagishi, T.; Fukatsu, E.; Funada, R.; Maruyama, Y.; Kitao, M.; Tobita, H.; Koike, T.

2004-01-01

The effects of elevated carbon dioxide concentration and two nutrient regimes on stem growth rate, annual ring structure and temporal variations in photosynthetic characteristics of seedlings of Japanese larch were evaluated. When compared with ambient carbon dioxide, elevated carbon dioxide reduced stem height and increased stem basal diameter, but had no significant effect on ring width or the number of tracheids per radial file. No obvious difference was observed in cell wall thickness or the relative area of cell wall between seedlings grown in ambient or elevated carbon dioxide. Net assimilation rate increased in the presence of elevated carbon dioxide, however, the increase in whole-crown photosynthetic rate was minimal due to the smaller needle area and acclimation of the photosynthetic characteristics of the needles to the growth in carbon dioxide concentration. Conclusion: elevated carbon dioxide concentration did not appear to significantly affect the capacity of stems of Japanese larch seedlings for carbon fixation for use in cell wall synthesis, although there was evidence of change in the temporal pattern of stem growth and stem thickening. 52 refs., 3 tabs., 4 figs

The effect of deposition energy of energetic atoms on the growth and structure of ultrathin amorphous carbon films studied by molecular dynamics simulations

KAUST Repository

Wang, N; Komvopoulos, K

2014-01-01

The growth and structure of ultrathin amorphous carbon films was investigated by molecular dynamics simulations. The second-generation reactive-empirical-bond-order potential was used to model atomic interactions. Films with different structures

Improved electroless plating method through ultrasonic spray atomization for depositing silver nanoparticles on multi-walled carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Zhao, Qi [School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Xie, Ming [Kunming Institute of Precious Metals, Kunming 650106 (China); Liu, Yichun, E-mail: liuyichun@kmust.edu.cn [School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China); Yi, Jianhong [School of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093 (China)

2017-07-01

Highlights: • Electroless plating method assisted by ultrasonic spray atomization was developed. • This method leads to much more uniform silver coatings on MWCNTs. • The plating parameters affect the layer morphologies a lot. - Abstract: A novel method was developed to deposit nanosized silver particles on multi-walled carbon nanotubes (MWCNTs). The electroless plating of silver on MWCNTs accomplished in small solution drops generated by ultrasonic spray atomization, which inhibited excessive growth of silver particles and led to much more uniform nanometer grain-sized coatings. The results showed that pretreatment was essential for silver particles to deposit on the MWCNTs, and the electrolyte concentration and reaction temperature were important parameters which had a great influence on the morphology and structure of the silver coatings. Possible mechanisms of this method are also discussed in the paper.

Improved electroless plating method through ultrasonic spray atomization for depositing silver nanoparticles on multi-walled carbon nanotubes

International Nuclear Information System (INIS)

Zhao, Qi; Xie, Ming; Liu, Yichun; Yi, Jianhong

2017-01-01

Highlights: • Electroless plating method assisted by ultrasonic spray atomization was developed. • This method leads to much more uniform silver coatings on MWCNTs. • The plating parameters affect the layer morphologies a lot. - Abstract: A novel method was developed to deposit nanosized silver particles on multi-walled carbon nanotubes (MWCNTs). The electroless plating of silver on MWCNTs accomplished in small solution drops generated by ultrasonic spray atomization, which inhibited excessive growth of silver particles and led to much more uniform nanometer grain-sized coatings. The results showed that pretreatment was essential for silver particles to deposit on the MWCNTs, and the electrolyte concentration and reaction temperature were important parameters which had a great influence on the morphology and structure of the silver coatings. Possible mechanisms of this method are also discussed in the paper.

Synthesis, characterization and catalytic oxidation properties of multi-wall carbon nanotubes with a covalently attached copper(II) salen complex

Science.gov (United States)

Salavati-Niasari, Masoud; Bazarganipour, Mehdi

2009-06-01

Hydroxyl functionalized copper(II) Schiff-base, N,N'-bis(4-hydroxysalicylidene)-ethylene-1,2-diaminecopper(II), [Cu((OH) 2-salen)], has been covalently anchored on modified MWCNTs. The new modified MWCNTs ([Cu((OH) 2-salen)]-MWCNTs) have been characterized by TEM, thermal analysis, XRD, XPS, UV-vis, DRS, FT-IR spectroscopy and elemental analysis. The modified copper(II) MWCNTs solid was used to affect the catalytic oxidation of ethylbenzene with tert-butylhydroperoxide as the oxidant at 333 K. The system is truly heterogeneous (no leaching observed) and reusable (no decrease in activity) in three consecutive runs. Acetophenone was the major product though small amounts of o- and p-hydroxyacetophenones were also formed revealing that C-H bond activation takes place both at benzylic and aromatic ring carbon atoms. Ring hydroxylation was more over the "neat" complexes than over the encapsulated complexes.

Physics in graphene & quantum rings : from mesoscopic device fabrication to measurement in high magnetic fields

NARCIS (Netherlands)

Giesbers, A.J.M.

2010-01-01

New materials often lead to spectacular discoveries. A prominenent example is graphene, a single layer of carbon atoms arranged in a honeycomb lattice. This one atom thick carbon sheet has a high crystal quality and remarkable electronic properties. The charge carriers in graphene behave as

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

International Nuclear Information System (INIS)

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

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

Science.gov (United States)

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.

Mapping Ring Particle Cooling across Saturn's Rings with Cassini CIRS

Science.gov (United States)

Brooks, Shawn M.; Spilker, L. J.; Edgington, S. G.; Pilorz, S. H.; Deau, E.

2010-10-01

Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and quick temperature responses are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid, coherent particles can be expected to have higher thermal inertias (Ferrari et al. 2005). Cassini's Composite Infrared Spectrometer has recorded millions of spectra of Saturn's rings since its arrival at Saturn in 2004 (personal communication, M. Segura). CIRS records far infrared radiation between 10 and 600 cm-1 (16.7 and 1000 µm) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn's rings peaks in this wavelength range. FP1 spectra can be used to infer ring temperatures. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The thermal budget of the rings is dominated by the solar radiation absorbed by its constituent particles. When ring particles enter Saturn's shadow this source of energy is abruptly cut off. As a result, ring particles cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

Aligned carbon nanotube array functionalization for enhanced atomic layer deposition of platinum electrocatalysts

Energy Technology Data Exchange (ETDEWEB)

Dameron, Arrelaine A., E-mail: arrelaine.dameron@nrel.gov [National Renewable Energy Laboratory, 1617 Cole Blvd Golden, Golden, CO 80401 (United States); Pylypenko, Svitlana; Bult, Justin B.; Neyerlin, K.C.; Engtrakul, Chaiwat; Bochert, Christopher; Leong, G. Jeremy; Frisco, Sarah L.; Simpson, Lin; Dinh, Huyen N.; Pivovar, Bryan [National Renewable Energy Laboratory, 1617 Cole Blvd Golden, Golden, CO 80401 (United States)

2012-04-15

Uniform metal deposition onto high surface area supports is a key challenge of developing successful efficient catalyst materials. Atomic layer deposition (ALD) circumvents permeation difficulties, but relies on gas-surface reactions to initiate growth. Our work demonstrates that modified surfaces within vertically aligned carbon nanotube (CNT) arrays, from plasma and molecular precursor treatments, can lead to improved catalyst deposition. Gas phase functionalization influences the number of ALD nucleation sites and the onset of ALD growth and, in turn, affects the uniformity of the coating along the length of the CNTs within the aligned arrays. The induced chemical changes for each functionalization route are identified by X-ray photoelectron and Raman spectroscopies. The most effective functionalization routes increase the prevalence of oxygen moieties at defect sites on the carbon surfaces. The striking effects of the functionalization are demonstrated with ALD Pt growth as a function of surface treatment and ALD cycles examined by electron microscopy of the arrays and the individual CNTs. Finally, we demonstrate applicability of these materials as fuel cell electrocatalysts and show that surface functionalization affects their performance towards oxygen reduction reaction.

TDDFT-MD Study on Dynamics in Photoinduced Ring Opening of Benzene

Science.gov (United States)

Tateyama, Yoshitaka; Miyamoto, Yoshiyuki; Oyama, Norihisa; Ohno, Takahisa

2004-03-01

Coupled dynamics of ions and electrons in the excited states of molecular and solid benzene is investigated on the femtosecond scale by the efficient simulation scheme recently developed for the time-dependent density functional theory. Within the π arrow π excitations, any out-of-plane motion of ions is not induced in the molecular system basically. In the solid, however, we found that large swing of the C-H bonds and subsequent twist of the carbon ring takes place, leading to sp^3-like bonding of carbon ions. This swing-to-twist motion presents a plausible mechanism underlying the photoinduced ring opening in solid benzene experimentally observed under pressure. This research is partially supported by ACT-JST, and also by FSIS and Special Coordination Funds of Ministry of Education, Culture, Sports, Science and Technology of Japanese Government.

Determination of major elements in annual tree rings by acid extraction

International Nuclear Information System (INIS)

Belacy, N.; Abou EL-Nour, F.; Simpson, H.J.

1991-01-01

A method utilizing acid extraction of Na, K, Ca and Mg from the wood of annual growth rings of egyptian trees was executed. The method was applied on a Morus Alba tree located at Nile delta, northern of egypt. The acid extraction method includes the use of dilute nitric acid to extract the elements of the wood. The wood was soaked for one hour with continuous stirring at room temperature. Element contents of both leachant and ash of the extracted wood dissolved in 2N HNO 3 , were then estimated using an atomic absorption spectrophotometer. The method was optimized and led to an accurate determination of the elements in the wood of the examined tree rings. The results showed a difference in the level of these elements along the annual rings of the examined tree. The data obtained in this work can help in understanding the correlation between the concentration of these elements in the annual growth rings of the egyptian trees and the expected changes in the salinity of water of irrigation before and after the high dam project

Atomic physics research with synchrotron radiation

International Nuclear Information System (INIS)

Crasemann, B.; Wuilleumier, F.

1985-01-01

This chapter discusses applications of synchrotron light in atomic and molecular physics. Use of the radiation from storage rings has expanded and lent access to new areas of absorption and photoemission spectroscopy and scattering experiments. Techniques applied in connection with synchrotron radiation are discussed including absorption spectroscopy, photoelectron spectroscopy, fluorescence spectroscopy and X-ray scattering. Problem areas that are being studied by the techniques mentioned above are discussed. Synchrotron radiation has provided the means for measuring the threshold-excitation and interference effects that signal the breakdown of the two-step model of atomic excitation/deexcitation. Synchrotron radiation provides more means of excited-state photoionization measurements

Chiral meta-atoms rotated by light

International Nuclear Information System (INIS)

Liu Mingkai; Powell, David A.; Shadrivov, Ilya V.

2012-01-01

We study the opto-mechanical properties of coupled chiral meta-atoms based on a pair of twisted split-ring resonators. By using a simple analytical model in conjunction with the Maxwell stress tensor, we capture insight into the mechanism and find that this structure can be used as a general prototype of subwavelength light-driven actuators over a wide range of frequencies. This coupled structure can provide a strong and tunable torque, and can support different opto-mechanical modes, including uniform rotation, periodically variable rotation and damped oscillations. Our results suggest that chiral meta-atoms are good candidates for creating sub-wavelength motors or wrenches controlled by light.

Chiral meta-atoms rotated by light

Science.gov (United States)

Liu, Mingkai; Powell, David A.; Shadrivov, Ilya V.

2012-07-01

We study the opto-mechanical properties of coupled chiral meta-atoms based on a pair of twisted split-ring resonators. By using a simple analytical model in conjunction with the Maxwell stress tensor, we capture insight into the mechanism and find that this structure can be used as a general prototype of subwavelength light-driven actuators over a wide range of frequencies. This coupled structure can provide a strong and tunable torque, and can support different opto-mechanical modes, including uniform rotation, periodically variable rotation and damped oscillations. Our results suggest that chiral meta-atoms are good candidates for creating sub-wavelength motors or wrenches controlled by light.

Continuous measurement of an atomic current

Science.gov (United States)

Laflamme, C.; Yang, D.; Zoller, P.

2017-04-01

We are interested in dynamics of quantum many-body systems under continuous observation, and its physical realizations involving cold atoms in lattices. In the present work we focus on continuous measurement of atomic currents in lattice models, including the Hubbard model. We describe a Cavity QED setup, where measurement of a homodyne current provides a faithful representation of the atomic current as a function of time. We employ the quantum optical description in terms of a diffusive stochastic Schrödinger equation to follow the time evolution of the atomic system conditional to observing a given homodyne current trajectory, thus accounting for the competition between the Hamiltonian evolution and measurement back action. As an illustration, we discuss minimal models of atomic dynamics and continuous current measurement on rings with synthetic gauge fields, involving both real space and synthetic dimension lattices (represented by internal atomic states). Finally, by "not reading" the current measurements the time evolution of the atomic system is governed by a master equation, where—depending on the microscopic details of our CQED setups—we effectively engineer a current coupling of our system to a quantum reservoir. This provides interesting scenarios of dissipative dynamics generating "dark" pure quantum many-body states.

Line-emission cross sections for the charge-exchange reaction between fully stripped carbon and atomic hydrogen in tokamak plasma

International Nuclear Information System (INIS)

Ida, K.; Kato, T.

1992-01-01

Line-emission cross sections of the charge-exchange reaction between fully stripped carbon and atomic hydrogen are measured in the energy range of 18 - 38 keV/amu in tokamak plasmas. The energy dependence of the emission cross sections for the transition of Δn = 8 - 7 and Δn = 7 - 6 and their ratios are compared with theoretical calculations. (author)

A Novel Method for Analysis of Dissolved Inorganic Carbon Concentration and δ13C by Cavity Ring-Down Spectroscopy

Science.gov (United States)

Smith, E.; Gonneea, M. E.; Boze, L. G.; Casso, M.; Pohlman, J.

2017-12-01

Dissolved inorganic carbon (DIC) is the largest pool of carbon in the oceans and is where about half of anthropogenic carbon dioxide (CO2) emissions are being sequestered. Determining the concentration and stable carbon isotopic content (δ13C) of DIC allows us to delineate carbon sources that contribute to marine DIC. A simple and reliable method for measuring DIC concentration and δ13C can be used to apportion contributions from external sources and identify effects from biogeochemical reactions that contribute or remove DIC. The U.S. Geological Survey has developed a discrete sample analysis module (DSAM) that interfaces to a Picarro G-2201i cavity ring-down spectrometer (CRDS, Picarro Inc.) to analyze CO2 and methane concentrations and δ13C from discrete gas samples. In this study, we adapted the USGS DSAM-CRDS analysis system to include an AutoMate prep device (Automate FX, Inc.) for analysis of DIC concentration and δ13C from aqueous samples. The Automate prep device was modified to deliver CO2 extracted from DIC to the DSAM, which conditions and transfers the gas to the CRDS. LabVIEW software (National Instruments) triggers the Automate Prep device, controls the DSAM and collects data from the CRDS. CO2 mass concentration data are obtained by numerical integration of the CO2 volumetric concentrations output by the CRDS and subsequent comparison to standard materials. CO2 carbon isotope values from the CRDS (iCO2) are converted to δ13C values using a slope and offset correction calibration procedure. The system design and operation was optimized using sodium bicarbonate (NaHCO3) standards and a certified reference material. Surface water and pore water samples collected from Sage Lot Pond, a salt marsh in Cape Cod MA, have been analyzed for concentration by coulometry and δ13C by isotope ratio mass spectrometry and will be used to validate the DIC-DSAM-CRDS method for field applications.

Measuring oxidation processes: Atomic oxygen flux monitor

International Nuclear Information System (INIS)

Anon.

1991-01-01

Of the existing 95 high-energy accelerators in the world, the Stanford Linear Collider (SLC) at the Stanford Linear Accelerator Center (SLAC) is the only one of the linear-collider type, where electrons and positrons are smashed together at energies of 50 GeV using linear beams instead of beam rings for achieving interactions. Use of a collider eliminates energy losses in the form of x-rays due to the curved trajectory of the rings, a phenomena known as bremsstrauhlung. Because these losses are eliminated, higher interaction energies are reached. Consequently the SLC produced the first Z particle in quantities large enough to allow measurement of its physical properties with some accuracy. SLAC intends to probe still deeper into the structure of matter by next polarizing the electrons in the beam. The surface of the source for these polarized particles, typically gallium arsenide, must be kept clean of contaminants. One method for accomplishing this task requires the oxidation of the surface, from which the oxidized contaminants are later boiled off. The technique requires careful measurement of the oxidation process. SLAC researchers have developed a technique for measuring the atomic oxygen flux in this process. The method uses a silver film on a quartz-crystal, deposition-rate monitor. Measuring the initial oxidation rate of the silver, which is proportional to the atomic oxygen flux, determines a lower limit on that flux in the range of 10 13 to 10 17 atoms per square centimeter per second. Furthermore, the deposition is reversible by exposing the sensor to atomic hydrogen. This technique has wider applications to processes in solid-state and surface physics as well as surface chemistry. In semiconductor manufacturing where a precise thickness of oxide must be deposited, this technique could be used to monitor the critical flux of atomic oxygen in the process

Informal proposal for an Atomic Physics Facility at the National Synchrotron Light Source

Energy Technology Data Exchange (ETDEWEB)

Jones, K.W.; Johnson, B.M.; Meron, M.

1986-01-01

An Atomic Physics Facility (APF) for experiments that will use radiation from a superconducting wiggler on the NSLS X-13 port is described. The scientific justification for the APF is given and the elements of the facility are discussed. It is shown that it will be possible to conduct a uniquely varied set of experiments that can probe most aspects of atomic physics. A major component of the proposal is a heavy-ion storage ring capable of containing ions with energies of about 10 MeV/nucleon. The ring can be filled with heavy ions produced at the BNL MP Tandem Laboratory or from independent ion-source systems. A preliminary cost estimate for the facility is presented.

Experiments in atomic and applied physics using synchrotron radiation

International Nuclear Information System (INIS)

Jones, K.W.

1987-01-01

A diverse program in atomic and applied physics using x rays produced at the X-26 beam line at the Brookhaven National Synchrotron Light Source is in progress. The atomic physics program studies the properties of multiply-ionized atoms using the x rays for photo-excitation and ionization of neutral atoms and ion beams. The applied physics program builds on the techniques and results of the atomic physics work to develop new analytical techniques for elemental and chemical characterization of materials. The results are then used for a general experimental program in biomedical sciences, geo- and cosmochemistry, and materials sciences. The present status of the program is illustrated by describing selected experiments. Prospects for development of new experimental capabilities are discussed in terms of a heavy ion storage ring for atomic physics experiments and the feasibility of photoelectron microscopy for high spatial resolution analytical work. 21 refs., 11 figs., 2 tabs

Ring transformation of chromone-3-carboxamide under nucleophilic conditions

Energy Technology Data Exchange (ETDEWEB)

Ibrahim, Magdy A., E-mail: magdy_ahmed1977@yahoo.com [Department of Chemistry, Faculty of Education, Ain Shams University, Cairo(Egypt)

2013-11-15

The chemical reactivity of chromone-3-carboxamide was studied towards a series of nitrogen and carbon nucleophiles. Treatment of carboxamide with some primary amines gave chromane-2,4-diones. Condensation of carboxamide with hydrazine hydrate, phenyl hydrazine and hydroxylamine hydrochloride afforded chromenopyrazoles and chromenoisoxazole, respectively. Reaction of carboxamide with guanidine hydrochloride, cyanoguanidine and thiourea resulted in ring transformation producing chromenopyridines. The chemical behavior of carboxamide was also studied towards ethylenediamine, o-phenylenediamine, 2-aminophenol and 2-aminothiophenol. A variety of products were isolated from the reaction of carboxamide with some carbon nucleophiles. (author)

The HERMES polarized hydrogen and deuterium gas target in the HERA electron storage ring

International Nuclear Information System (INIS)

Airapetian, A.; Akopov, N.; Akopov, Z.

2005-01-01

The HERMES hydrogen and deuterium nuclear-polarized gas targets have been in use since 1996 with the polarized electron beam of HERA at DESY to study the spin structure of the nucleon. Polarized atoms from a Stern-Gerlach Atomic Beam Source are injected into a storage cell internal to the HERA electron ring. Atoms diffusing from the center of the storage cell into a side tube are analyzed to determine the atomic fraction and the atomic polarizations. The atoms have a nuclear polarization, the axis of which is defined by an external magnetic holding field. The holding field was longitudinal during 1996-2000, and was changed to transverse in 2001. The design of the target is described, the method for analyzing the target polarization is outlined, and the performance of the target in the various running periods is presented

The HERMES polarized hydrogen and deuterium gas target in the HERA electron storage ring

International Nuclear Information System (INIS)

Airapetian, A.; Akopov, N.; Akopov, Z.; Peking University, Beijing

2004-08-01

The HERMES hydrogen and deuterium nuclear-polarized gas targets have been in use since 1996 with the polarized electron beam of HERA at DESY to study the spin structure of the nucleon. Polarized atoms from a Stern-Gerlach Atomic Beam Source are injected into a storage cell internal to the HERA electron ring. Atoms diffusing from the center of the storage cell into a side tube are analyzed to determine the atomic fraction and the atomic polarizations. The atoms have a nuclear polarization, the axis of which is defined by an external magnetic holding field. The holding field was longitudinal during 1996-2000, and was changed to transverse in 2001. The design of the target is described, the method for analyzing the target polarization is outlined, and the performance of the target in the various running periods is presented. (orig.)

Atomic-scale structure and formation of self-assembled In(Ga)As quantum rings

NARCIS (Netherlands)

Offermans, P.; Koenraad, P.M.; Wolter, J.H.; Granados, D.; Garcia, J.M.; Fomin, V.; Gladilin, V.N.; Devreese, J.T.

2006-01-01

The authors present an at.-scale anal. of the In distribution of self-assembled (In,Ga)As quantum rings (QRs), which are formed from InAs quantum dots by capping with a thin layer of GaAs and subsequent annealing. The size and shape of QRs as obsd. by cross-sectional scanning tunneling microscopy

Proceedings of the workshop on polarized targets in storage rings

International Nuclear Information System (INIS)

Holt, R.J.

1984-08-01

Polarization phenomena have played an increasingly important part in the study of nuclei and nucleons in recent years. Polarization studies have been hampered by the relatively few and rather fragile polarized targets which are presently available. The concept of polarized gas targets in storage rings opens a much wider range of possibilities than is available in the external target geometry. This novel method will represent a considerable advance in nuclear physics and will continue to receive much attention in plans for future facilities. An internal, polarized-target station is being planned for the cooler ring at the Indiana University Cyclotron Facility. Internal targets are compatible with recent designs of electron accelerators proposed by the Massachusetts Institute of Technology and the Southeastern Universities Research Association. The key to nuclear-science programs based on internal targets pivots on recent developments in polarized atomic beam methods, which include the more recent laser-driven polarized targets. The workshop drew together a unique group of physicists in the fields of high-energy, nuclear and atomic physics. The meeting was organized in a manner that stimulated discussion among the 58 participants and focused on developments in polarized target technology and the underlying atomic physics. An impressive array of future possibilities for polarized targets as well as current developments in polarized target technology were discussed at the workshop. Abstracts of individual items from the workshop were prepared separately for the data base

Atomic resolution structural insights into PdPt nanoparticle–carbon interactions for the design of highly active and stable electrocatalysts

International Nuclear Information System (INIS)

Slanac, Daniel A.; Li Lin; Mayoral, Alvaro; Yacaman, Miguel José; Manthiram, Arumugam; Stevenson, Keith J.; Johnston, Keith P.

2012-01-01

Graphical abstract: - Abstract: Interfacial interactions between sub-4 nm metal alloy nanoparticles and carbon supports, although not well understood at the atomic level, may be expected to have a profound influence on catalytic properties. Pd 3 Pt 2 alloy particles comprised of a disordered surface layer over a corrugated crystalline core are shown to exhibit strong interfacial interactions with a ∼20–50 nm spherical carbon support, as characterized by probe aberration corrected scanning transmission electron microscopy (pcSTEM). The disordered shells were formed from defects introduced by Pd during arrested growth synthesis of the alloy nanoparticles. The chemical and morphological changes in the catalyst, before and after cyclic stability testing (1000 cycles, 0.5–1.2 V), were probed with cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and pcSTEM. The strong metal–support interaction, along with the uniform alloy structure raised the mass activity by a factor of 1.8 versus pure Pt. The metal–support interactions also mitigated nanoparticle coalescence, dissolution, and ripening, resulting in only a 20% loss in mass activity (versus 60% for pure Pt on carbon) after the cyclic stability test. The design of alloy structure, guided by insight from atomic scale pcSTEM, for enhanced catalytic activity and stability, resulting from strong wetting with a deformable disordered shell, has the potential to be a general paradigm for improving catalytic performance.

Fermionic Collective Excitations in a Lattice Gas of Rydberg Atoms

International Nuclear Information System (INIS)

Olmos, B.; Gonzalez-Ferez, R.; Lesanovsky, I.

2009-01-01

We investigate the many-body quantum states of a laser-driven gas of Rydberg atoms confined to a large spacing ring lattice. If the laser driving is much stronger than the van der Waals interaction among the Rydberg atoms, these many-body states are collective fermionic excitations. The first excited state is a spin wave that extends over the entire lattice. We demonstrate that our system permits us to study fermions in the presence of disorder although no external atomic motion takes place. We analyze how this disorder influences the excitation properties of the fermionic states. Our work shows a route towards the creation of complex many-particle states with atoms in lattices.

Mercury and cadmium in ringed seals in the Canadian Arctic: Influence of location and diet

Energy Technology Data Exchange (ETDEWEB)

Brown, Tanya M., E-mail: tanya.brown@mun.ca [Memorial University of Newfoundland, St. John' s, Newfoundland A1B 3X9 (Canada); Fisk, Aaron T. [Great Lakes Institute of Environmental Research, University of Windsor, 401 Sunset Avenue, Windsor, Ontario N9B 3P4 (Canada); Wang, Xiaowa [Environment Canada, Canada Centre for Inland Waters, 867 Lakeshore Road, Burlington, Ontario L7R 4A6 (Canada); Ferguson, Steven H. [Fisheries and Oceans Canada, 501 University Crescent, Winnipeg, Manitoba R3T 2N6 (Canada); Young, Brent G. [University of Manitoba, 500 University Crescent, Winnipeg, Manitoba R3T 2N2 (Canada); Reimer, Ken J. [Environmental Sciences Group, Royal Military College of Canada, PO Box 17000, Stn Forces, Kingston, Ontario K7K 7B4 (Canada); Muir, Derek C.G. [Environment Canada, Canada Centre for Inland Waters, 867 Lakeshore Road, Burlington, Ontario L7R 4A6 (Canada)

2016-03-01

Concentrations of total mercury (THg) and total cadmium (TCd) were determined in muscle and liver of ringed seals (Pusa hispida) from up to 14 locations across the Canadian Arctic. Location, trophic position (TP) and relative carbon source best predicted the THg and TCd concentrations in ringed seals. THg concentrations in ringed seals were highest in the western Canadian Arctic (Beaufort Sea), whereas TCd was highest in the eastern Canadian Arctic (Hudson Bay and Labrador). A positive relationship between THg and TP and a negative relationship between THg and relative carbon source contributed to the geographical patterns observed and elevated THg levels at certain sites. In contrast, a negative relationship between TCd and TP was found, indicating that high TCd concentrations are related to seals feeding more on invertebrates than fish. Feeding ecology appears to play an important role in THg and TCd levels in ringed seals, with biomagnification driving elevated THg levels and a dependence on low-trophic position prey resulting in high TCd concentrations. The present study shows that both natural geological differences and diet variability among regions explain the spatial patterns for THg and TCd concentrations in ringed seals. - Highlights: • Diet and location influenced THg and Cd in ringed seals across the Canadian Arctic. • Biomagnification processes contribute to elevated THg levels in the western Arctic. • Consuming low-trophic position prey explains high Cd levels in the eastern Arctic.

Mercury and cadmium in ringed seals in the Canadian Arctic: Influence of location and diet

International Nuclear Information System (INIS)

Brown, Tanya M.; Fisk, Aaron T.; Wang, Xiaowa; Ferguson, Steven H.; Young, Brent G.; Reimer, Ken J.; Muir, Derek C.G.

2016-01-01

Concentrations of total mercury (THg) and total cadmium (TCd) were determined in muscle and liver of ringed seals (Pusa hispida) from up to 14 locations across the Canadian Arctic. Location, trophic position (TP) and relative carbon source best predicted the THg and TCd concentrations in ringed seals. THg concentrations in ringed seals were highest in the western Canadian Arctic (Beaufort Sea), whereas TCd was highest in the eastern Canadian Arctic (Hudson Bay and Labrador). A positive relationship between THg and TP and a negative relationship between THg and relative carbon source contributed to the geographical patterns observed and elevated THg levels at certain sites. In contrast, a negative relationship between TCd and TP was found, indicating that high TCd concentrations are related to seals feeding more on invertebrates than fish. Feeding ecology appears to play an important role in THg and TCd levels in ringed seals, with biomagnification driving elevated THg levels and a dependence on low-trophic position prey resulting in high TCd concentrations. The present study shows that both natural geological differences and diet variability among regions explain the spatial patterns for THg and TCd concentrations in ringed seals. - Highlights: • Diet and location influenced THg and Cd in ringed seals across the Canadian Arctic. • Biomagnification processes contribute to elevated THg levels in the western Arctic. • Consuming low-trophic position prey explains high Cd levels in the eastern Arctic.

Radical Chemistry and Charge Manipulation with an Atomic Force Microscope

Science.gov (United States)

Gross, Leo

The fuctionalization of tips by atomic manipulation dramatically increased the resolution of atomic force microscopy (AFM). The combination of high-resolution AFM with atomic manipulation now offers the unprecedented possibility to custom-design individual molecules by making and breaking bonds with the tip of the microscope and directly characterizing the products on the atomic scale. We recently applied this technique to generate and study reaction intermediates and to investigate chemical reactions trigged by atomic manipulation. We formed diradicals by dissociating halogen atoms and then reversibly triggered ring-opening and -closing reactions via atomic manipulation, allowing us to switch and control the molecule's reactivity, magnetic and optical properties. Additional information about charge states and charge distributions can be obtained by Kelvin probe force spectroscopy. On multilayer insulating films we investigated single-electron attachment, detachment and transfer between individual molecules. EU ERC AMSEL (682144), EU project PAMS (610446).

Atomic-level molybdenum oxide nanorings with full-spectrum absorption and photoresponsive properties.

Science.gov (United States)

Yang, Yong; Yang, Yang; Chen, Shuangming; Lu, Qichen; Song, Li; Wei, Yen; Wang, Xun

2017-11-16

Superthin nanostructures, particularly with atomic-level thicknesses, typically display unique optical properties because of their exceptional light-matter interactions. Here, we report a facile strategy for the synthesis of sulfur-doped molybdenum oxide nanorings with an atomic-level size (thickness of 0.5 nm) and a tunable ring-in-ring architecture. These atomic-level nanorings displayed strong photo-absorption in both the visible and infrared-light ranges and acted as a photothermal agent. Under irradiation with an 808 nm laser with an intensity of 1 W/cm 2 , a composite of the nanorings embedded in polydimethylsiloxane showed an ultrafast photothermal effect, delivering a local temperature of up to 400 °C within 20 s, which to the best of our knowledge is the highest temperature by light irradiation reported to date. Meanwhile, the resulting nanorings were also employed as a photoinitiator to remotely induce a visible-light shape memory response, self-healing, reshaping performance and reversible actuation of dynamic three-dimensional structures. This study demonstrates an advancement towards controlling atomic-level-sized nanostructures and achieving greatly enhanced optical performances for optoelectronics.

Photon-Induced Spin-Orbit Coupling in Ultracold Atoms inside Optical Cavity

Directory of Open Access Journals (Sweden)

Lin Dong

2015-05-01

Full Text Available We consider an atom inside a ring cavity, where a plane-wave cavity field together with an external coherent laser beam induces a two-photon Raman transition between two hyperfine ground states of the atom. This cavity-assisted Raman transition induces effective coupling between atom’s internal degrees of freedom and its center-of-mass motion. In the meantime, atomic dynamics exerts a back-action to cavity photons. We investigate the properties of this system by adopting a mean-field and a full quantum approach, and show that the interplay between the atomic dynamics and the cavity field gives rise to intriguing nonlinear phenomena.

Storage ring design of the 8 GeV synchrotron radiation facility (SPring-8)

International Nuclear Information System (INIS)

Hara, M.; Bc, S.H.; Motonaga, S.

1990-01-01

In Japan, RIKEN (Institute of Physical and Chemical Research) and JAERI (Japan Atomic Energy Research Institute) have organized a joint design team and started a design study for an 8 GeV synchrotron radiation X-ray source. This paper outlines the status of the design study for the 8 GeV highly brilliant synchrotron radiation X-ray source ring named Super Photon Ring (SPring-8). The facility consists of a main storage ring, a full-energy injector booster synchrotron and a pre-injector 1 GeV linac. The injector linac and synchrotron are laid outside the storage ring because to permit the use of the linac and synchrotron not only as an injector but also as an electron or positron beam source. The purpose of the facility is to provide stable photon beams with high brilliance in the X-ray region. The energy of the stored electrons (positrons) is fixed at 8 GeV to fulfill the required condition using conventional type insertion devices. (N.K.)

Computational modeling of ring textures in mesophase carbon fibers

Directory of Open Access Journals (Sweden)

de Andrade Lima Luiz Rogério Pinho

2003-01-01

Full Text Available Carbon fibers are widely used in many industrial applications due the fact of their excellent properties. Carbonaceous mesophases are liquid crystalline precursor materials that can be spun into high performance carbon fibers using the melt spinning process, which is a flow cascade consisting of pressure driven flow-converging die flow-free surface extensional spinline flow that modifies the precursor molecular orientation structure. Carbon fiber property optimization requires a better understanding of the principles that control the structure development during the fiber formation processes and the rheological processing properties. This paper presents the elastic and continuum theory of liquid crystalsand computer simulations of structure formation for pressure-driven flow of carbonaceous liquid crystalline precursors used in the industrial carbon fiber spinning process. The simulations results capture the formation of characteristic fiber macro-textures and provide new knowledge on the role of viscous and elastic effects in the spinning process.

Modelling of structure and properties of soft carbons with application to carbon anode baking

Energy Technology Data Exchange (ETDEWEB)

Gundersen, Oeyvind

1998-11-01

This work deals with topics related to modelling and control of ring furnaces for the baking of carbon anodes used in aluminium electrolysis. Anodes made of a granular coke and coal tar pitch are used in aluminium electrolysis. The anode properties are imperative for successful operation of the aluminium smelters. After mixing and forming the anode paste, heat treatment of the carbon blocks takes place in so-called ring furnaces. A ring furnace consists of a series of heat treatment sections where each section is loaded with a batch of anodes. The heat treatment of the anodes in a section consumes a lot of energy, and the anode properties partly depend on the heat treatment program. Previous work in the field of ring furnace modelling, operation and control is shortly reviewed. Both petroleum coke and coal tar pitch belong to the group of soft carbons. Models for structural parameters and porosity of soft carbons are developed. Furthermore, a new model for pyrolysis of coal tar pitch is proposed. Based on the models for pyrolysis, structure and porosity, new models for properties of single phase carbons and composite anodes are developed. These models are suitable for use in optimization of the baking process. A detailed mathematical model of a part of the heat treatment process is formulated in three spatial dimensions. The model is based on first principle descriptions of fundamental physical and chemical phenomena and the resulting model appears as a set of partial differential equations. The spatial differential operators are discretized by using the finite volume approach. In this way, a high dimensional nonlinear state space model is obtained. The model has been simulated using the method of lines. A vector of quantities which describes the anode properties is defined. This property vector constitutes a systematic definition of anode quality where the quality parameters are calculated as nonlinear transformations of the state space vector. Models are derived

Modelling of structure and properties of soft carbons with application to carbon anode baking

Energy Technology Data Exchange (ETDEWEB)

Gundersen, Oeyvind

1998-11-01

This work deals with topics related to modelling and control of ring furnaces for the baking of carbon anodes used in aluminium electrolysis. Anodes made of a granular coke and coal tar pitch are used in aluminium electrolysis. The anode properties are imperative for successful operation of the aluminium smelters. After mixing and forming the anode paste, heat treatment of the carbon blocks takes place in so-called ring furnaces. A ring furnace consists of a series of heat treatment sections where each section is loaded with a batch of anodes. The heat treatment of the anodes in a section consumes a lot of energy, and the anode properties partly depend on the heat treatment program. Previous work in the field of ring furnace modelling, operation and control is shortly reviewed. Both petroleum coke and coal tar pitch belong to the group of soft carbons. Models for structural parameters and porosity of soft carbons are developed. Furthermore, a new model for pyrolysis of coal tar pitch is proposed. Based on the models for pyrolysis, structure and porosity, new models for properties of single phase carbons and composite anodes are developed. These models are suitable for use in optimization of the baking process. A detailed mathematical model of a part of the heat treatment process is formulated in three spatial dimensions. The model is based on first principle descriptions of fundamental physical and chemical phenomena and the resulting model appears as a set of partial differential equations. The spatial differential operators are discretized by using the finite volume approach. In this way, a high dimensional nonlinear state space model is obtained. The model has been simulated using the method of lines. A vector of quantities which describes the anode properties is defined. This property vector constitutes a systematic definition of anode quality where the quality parameters are calculated as nonlinear transformations of the state space vector. Models are derived

Rapid synthesis of graphitic carbon nitride powders by metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Pang Linlin [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Bi Jianqiang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Bai Yujun [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China) and Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China)], E-mail: byj97@126.com; Qi Yongxin [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Zhu Huiling [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, 250061 (China); Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Wang Chengguo; Wu Jiwei [Carbon Fiber Engineering Research Center of Shandong Province, Shandong University, Jinan 250061 (China); Lu Chengwei [Department of Equipment, Shandong University of Science and Technology, Jinan 250031 (China)

2008-12-20

Carbon nitride powders were rapidly synthesized at low temperature via the chemical metathesis reaction between CaCN{sub 2} and C{sub 2}Cl{sub 6}. X-ray diffraction results confirm the formation of crystalline graphitic carbon nitride. Besides the dominant morphology of nanoparticles, flakes, nanorods, hollow and solid spheres can be observed by transmission electron microscopy. The absorption peaks of C-N, C=N and s-triazine rings, as well as the absence of C{identical_to}N peak in the infrared spectra, further verify the formation of graphite-like sp{sup 2}-bonded structure with planar networks. Elemental analysis gives an atomic ratio of N/C around 0.3. X-ray photoelectron spectra exhibit the existence of chemical bonding between C and N.

DFT Modeling of Cross-Linked Polyethylene: Role of Gold Atoms and Dispersion Interactions.

Science.gov (United States)

Blaško, Martin; Mach, Pavel; Antušek, Andrej; Urban, Miroslav

2018-02-08

Using DFT modeling, we analyze the concerted action of gold atoms and dispersion interactions in cross-linked polyethylene. Our model consists of two oligomer chains (PEn) with 7, 11, 15, 19, or 23 carbon atoms in each oligomer cross-linked with one to three Au atoms through C-Au-C bonds. In structures with a single gold atom the C-Au-C bond is located in the central position of the oligomer. Binding energies (BEs) with respect to two oligomer radical fragments and Au are as high as 362-489 kJ/mol depending on the length of the oligomer chain. When the dispersion contribution in PEn-Au-PEn oligomers is omitted, BE is almost independent of the number of carbon atoms, lying between 293 and 296 kJ/mol. The dispersion energy contributions to BEs in PEn-Au-PEn rise nearly linearly with the number of carbon atoms in the PEn chain. The carbon-carbon distance in the C-Au-C moiety is around 4.1 Å, similar to the bond distance between saturated closed shell chains in the polyethylene crystal. BEs of pure saturated closed shell PEn-PEn oligomers are 51-187 kJ/mol. Both Au atoms and dispersion interactions contribute considerably to the creation of nearly parallel chains of oligomers with reasonably high binding energies.

From simple to complex prebiotic chemistry in a carbon-rich universe

Science.gov (United States)

Lage, C.; Janot-Pacheco, E.; Domiciano de Souza, A.; Suárez, O.; Bendjoya, P.; Gadotti, D. A.

2012-09-01

It is well known that the main components of important biomolecules are quite common not only in the Solar System, but also in other planetary systems and in the Galactic ISM. The ubiquitous presence of C in the Universe and the unique carbon chemical properties and carbon bonding thermodynamics supports the spontaneous self-replication of monomers into larger polymers, yielding the formation of large molecules. The detection of an ever increasing number of organic molecules in the interstellar medium (ISM) by radio-telescopes and chemical analysis of meteorites boosted astrochemical theories on radiation-induced chemistry, supported by laboratory experiments. In this scenario of exogenous origin of carbon compounds, polyaromatic hydrocarbons (PAHs) may represent a resilient way of accumulating carbon as a robust cosmic reservoir. Consisting of a family of compounds with fused aromatic rings, the abundances of its larger members (50-100 carbon atoms) were estimated to be on top scores just after H2 and CO. PAHs have been detected in the ISM, in star-forming regions, ~14% of low-mass premainsequence stars, and, remarkably, in some 54% of intermediate mass stars. They have also been detected by SPITZER in distant galaxies up to z = 3. PAHs were promptly photolysed into a family of radicals if exposed to UV and oxygen-bearing molecules in laboratory. The presence of oxygenbearing molecules was shown in the laboratory to bring aromatic rings into an unstable chemistry leading to the production of e.g. alcohols, ketones and ether radicals. It has already been observed that carbon-and oxygen-rich stellar envelopes give rise to richer carbon chemistry. It appears very tempting to think that key prebiotic fragments should appear along planetary formation as C-O reaction byproducts such as methanol (CH3OH), formaldehyde (H2CO) and also simpler hydrocarbons as methyl acetylene (CH3CCH). Under an Astrobiology perspective it is plausible to map PAHs and oxygen compounds

Phosphorescence Tuning through Heavy Atom Placement in Unsymmetrical Difluoroboron β-Diketonate Materials.

Science.gov (United States)

Liu, Tiandong; Zhang, Guoqing; Evans, Ruffin E; Trindle, Carl O; Altun, Zikri; DeRosa, Christopher A; Wang, Fang; Zhuang, Meng; Fraser, Cassandra L

2018-02-06

Difluoroboron β-diketonates (BF 2 bdks) show both fluorescence (F) and room-temperature phosphorescence (RTP) when confined to a rigid matrix, such as poly(lactic acid). These materials have been utilized as optical oxygen sensors (e.g., in tumors, wounds, and cells). Spectral features include charge transfer (CT) from the major aromatic donor to the dioxaborine acceptor. A series of naphthyl-phenyl dyes (BF 2 nbm) (1-6) were prepared to test heavy-atom placement effects. The BF 2 nbm dye (1) was substituted with Br on naphthyl (2), phenyl (3), or both rings (4) to tailor the fluorescence/phosphorescence ratio and RTP lifetime-important features for designing O 2 sensing dyes by means of the heavy atom effect. Computational studies identify the naphthyl ring as the major donor. Thus, Br substitution on the naphthyl ring produced greater effects on the optical properties, such as increased RTP intensity and decreased RTP lifetime compared to phenyl substitution. However, for electron-donating piperidyl-phenyl dyes (5), the phenyl aromatic is the major donor. As a result, Br substitution on the naphthyl ring (6) did not alter the optical properties significantly. Experimental data and computational modeling show the importance of Br position. The S 1 and T 1 states are described by two singly occupied MOs (SOMOs). When both of these SOMOs have substantial amplitude on the heavy atom, passage from S 1 to T 1 and emission from T 1 to S 0 are both favored. This shortens the excited-state lifetimes and enhances phosphorescence. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Natural occupation numbers in two-electron quantum rings.

Science.gov (United States)

Tognetti, Vincent; Loos, Pierre-François

2016-02-07

Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

Natural occupation numbers in two-electron quantum rings

Energy Technology Data Exchange (ETDEWEB)

Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)

2016-02-07

Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

In silico carbon molecular beam epitaxial growth of graphene on the h-BN substrate: carbon source effect on van der Waals epitaxy

Science.gov (United States)

Lee, Jonghoon; Varshney, Vikas; Park, Jeongho; Farmer, Barry L.; Roy, Ajit K.

2016-05-01

Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon molecular beam epitaxy (CMBE) techniques using solid carbon sublimation have reported relatively poor quality of the graphene. In this article, the CMBE growth of graphene on the h-BN substrate is numerically studied in order to identify the effect of the carbon source on the quality of the graphene film. The carbon molecular beam generated by the sublimation of solid carbon source materials such as graphite and glassy carbon is mostly composed of atomic carbon, carbon dimers and carbon trimers. Therefore, the graphene film growth becomes a complex process involving various deposition characteristics of a multitude of carbon entities. Based on the study of surface adsorption and film growth characteristics of these three major carbon entities comprising graphite vapour, we report that carbon trimers convey strong traits of vdW epitaxy prone to high quality graphene growth, while atomic carbon deposition is a surface-reaction limited process accompanied by strong chemisorption. The vdW epitaxial behaviour of carbon trimers is found to be substantial enough to nucleate and develop into graphene like planar films within a nanosecond of high flux growth simulation, while reactive atomic carbons tend to impair the structural integrity of the crystalline h-BN substrate upon deposition to form an amorphous interface between the substrate and the growing carbon film. The content of reactive atomic carbons in the molecular beam is suspected to be the primary cause of low quality graphene reported in the literature. A possible optimization of the molecular beam composition towards the synthesis of better quality graphene films is suggested.Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon

Photostop of iodine atoms from electrically oriented ICl molecules

International Nuclear Information System (INIS)

Bao Da-Xiao; Lian-Zhong Deng; Xu Liang; Yin Jian-Ping

2015-01-01

The dynamics of photostopping iodine atoms from electrically oriented ICl molecules was numerically studied based on their orientational probability distribution functions. Velocity distributions of the iodine atoms and their production rates were investigated for orienting electrical fields of various intensities. For the ICl precursor beams with an initial rotational temperature of ∼ 1 K, the production of the iodine atoms near zero speed will be improved by about ∼ 5 times when an orienting electrical field of ∼ 200 kV/cm is present. A production rate of ∼ 0.5‰ is obtained for photostopped iodine atoms with speeds less than 10 m/s, which are suitable for magnetic trapping. The electrical orientation of ICl precursors and magnetic trapping of photostopped iodine atoms in situ can be conveniently realized with a pair of charged ring magnets. With the maximal value of the trapping field being ∼ 0.28 T, the largest trapping speed is ∼ 7.0 m/s for the iodine atom. (paper)

Exotic objects of atomic physics

Science.gov (United States)

Eletskii, A. V.

2017-11-01

There has been presented a short survey of physical properties, methods of production and exploration as well as directions of practical usage of the objects of atomic physics which are not yet described in detail in modern textbooks and manuals intended for students of technical universities. The family of these objects includes negative and multicharged ions, Rydberg atoms, excimer molecules, clusters. Besides of that, in recent decades this family was supplemented with new nanocarbon structures such as fullerenes, carbon nanotubes and graphene. The textbook “Exotic objects of atomic physics” [1] edited recently contains some information on the above-listed objects of the atomic physics. This textbook can be considered as a supplement to classic courses of atomic physics teaching in technical universities.

Atomization of magnesium, strontium, barium and lead nitrates on surface of graphite atomizers

International Nuclear Information System (INIS)

Nagdaev, V.K.; Pupyshev, A.A.

1982-01-01

Modelling of the processes on graphite surface using differential-thermal analysis and graphite core with identification of decomposition products of magnesium, strontium, barium and lead nitrates by X-ray analysis has shown that carbon promotes the formation of strontium, barium and lead carbonates. The obtained temperatures of strontium and barium carbonate decomposition to oxides agree satisfactorily with calculation ones. Magnesium nitrate does not react with carbon. Formation of strontium and barium carbonates results in considerable slowing down of the process of gaseous oxide dissociation. Lead carbonate is unstable and rapidly decomposes to oxide with subsequent reduction to free metal. Formation of magnesium, strontium and barium free atoms is connected with appearance of gaseous oxides in analytical zone. Oxide and free metal lead are present on graphite surface simultaneously

Indium-Catalyzed Annulation of o-Acylanilines with Alkoxyheteroarenes: Synthesis of Heteroaryl[b]quinolines and Subsequent Transformation to Cryptolepine Derivatives

Directory of Open Access Journals (Sweden)

Kyohei Yonekura

2018-04-01

Full Text Available We disclose herein the first synthetic method that is capable of offering heteroaryl[b]quinolines (HA[b]Qs with structural diversity, which include tricyclic and tetracyclic structures with (benzothienyl, (benzofuranyl, and indolyl rings. The target HA[b]Q is addressed by the annulation of o-acylanilines and MeO–heteroarenes with the aid of an indium Lewis acid that effectively works to make two different types of the N–C and C–C bonds in one batch. A series of indolo[3,2-b]quinolines prepared here can be subsequently transformed to structurally unprecedented cryptolepine derivatives. Mechanistic studies showed that the N–C bond formation is followed by the C–C bond formation. The indium-catalyzed annulation reaction thus starts with the nucleophilic attack of the NH2 group of o-acylanilines to the MeO-connected carbon atom of the heteroaryl ring in an SNAr fashion, and thereby the N–C bond is formed. The resulting intermediate then cyclizes to make the C–C bond through the nucleophilic attack of the heteroaryl-ring-based carbon atom to the carbonyl carbon atom, providing the HA[b]Q after aromatizing dehydration.

Development of stress relaxation measurement by a small size C-ring specimen method

International Nuclear Information System (INIS)

Shimanuki, Shizuka; Nakata, Kiyotomo; Kasahara, Shigeki; Kuniya, Jiro

2002-01-01

A stress relaxation measurement method has been developed by using C-ring specimens, and a specimen size effect has been evaluated taking radiation-induced stress relaxation into consideration. C-ring specimens were stressed by forcing a wedge in the gap. Giving an appropriate eccentric configuration in the half of the ring opposite the gap, the stress gradient along the circumference was eliminated in the section and the stress level could be varied by changing the gap spacing. The validity of the C-ring test method was confirmed by thermally stress relaxation experiments at annealing temperatures from 300 to 600degC for 1 min to 200 h in carbon steel: considerable stress relaxation could be measured for all levels of applied stress even at relatively low annealing temperatures. The relaxation results obtained from the C-ring test were in good agreement with those from a uniaxial tensile stress relaxation test. The smaller C-ring specimen with about 40 mm diameter, which is required for radiation-induced stress relaxation test, also showed adequate accuracy on stress relaxation at 600 to 830degC in stainless steel, compared with the large size C-ring specimen test. (author)

Quantum phase transition of Bose-Einstein condensates on a nonlinear ring lattice

International Nuclear Information System (INIS)

Zhou Zhengwei; Zhang Shaoliang; Zhou Xiangfa; Guo Guangcan; Zhou Xingxiang; Pu Han

2011-01-01

We study the phase transitions in a one-dimensional Bose-Einstein condensate on a ring whose atomic scattering length is modulated periodically along the ring. By using a modified Bogoliubov method to treat such a nonlinear lattice in the mean-field approximation, we find that the phase transitions are of different orders when the modulation period is 2 and greater than 2. We further perform a full quantum mechanical treatment based on the time-evolving block decimation algorithm which confirms the mean-field results and reveals interesting quantum behavior of the system. Our studies yield important knowledge of competing mechanisms behind the phase transitions and the quantum nature of this system.

Black rings

International Nuclear Information System (INIS)

Emparan, Roberto; Reall, Harvey S

2006-01-01

A black ring is a five-dimensional black hole with an event horizon of topology S 1 x S 2 . We provide an introduction to the description of black rings in general relativity and string theory. Novel aspects of the presentation include a new approach to constructing black ring coordinates and a critical review of black ring microscopics. (topical review)

Influence of ring size on the cognition-enhancing activity of DM235 and MN19, two potent nootropic drugs.

Science.gov (United States)

Guandalini, L; Martini, E; Di Cesare Mannelli, L; Dei, S; Manetti, D; Scapecchi, S; Teodori, E; Ghelardini, C; Romanelli, M N

2012-03-01

A series of analogs of DM235 and MN19, characterized by rings with different size, have been prepared and evaluated for their nootropic activity in the mouse passive-avoidance test. It was found that the optimal ring size for the analogs of DM235, showing endocyclic both amidic groups, is 6 or 7 atoms. For the compounds structurally related to MN19, carrying an exocyclic amide group, the piperidine ring is the moiety which gives the most interesting compounds. Copyright © 2012 Elsevier Ltd. All rights reserved.

Modeling and optimization of atomic layer deposition processes on vertically aligned carbon nanotubes.

Science.gov (United States)

Yazdani, Nuri; Chawla, Vipin; Edwards, Eve; Wood, Vanessa; Park, Hyung Gyu; Utke, Ivo

2014-01-01

Many energy conversion and storage devices exploit structured ceramics with large interfacial surface areas. Vertically aligned carbon nanotube (VACNT) arrays have emerged as possible scaffolds to support large surface area ceramic layers. However, obtaining conformal and uniform coatings of ceramics on structures with high aspect ratio morphologies is non-trivial, even with atomic layer deposition (ALD). Here we implement a diffusion model to investigate the effect of the ALD parameters on coating kinetics and use it to develop a guideline for achieving conformal and uniform thickness coatings throughout the depth of ultra-high aspect ratio structures. We validate the model predictions with experimental data from ALD coatings of VACNT arrays. However, the approach can be applied to predict film conformality as a function of depth for any porous topology, including nanopores and nanowire arrays.

A comparative computational study on the BN ring doped nanographenes

Energy Technology Data Exchange (ETDEWEB)

Vessally, E. [Department of Chemistry, Payame Noor University, Tehran (Iran, Islamic Republic of); Soleimani-Amiri, S. [Department of Chemistry, Karaj Branch, Islamic Azad University, Karaj (Iran, Islamic Republic of); Hosseinian, A. [Department of Engineering Science, College of Engineering, University of Tehran, P.O. Box 11365-4563, Tehran (Iran, Islamic Republic of); Edjlali, L., E-mail: l_edjlali@iaut.ac.ir [Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz (Iran, Islamic Republic of); Bekhradnia, A. [Pharmaceutical Sciences Research Center, Department of Medicinal Chemistry, Mazandaran University of Medical Sciences, Sari (Iran, Islamic Republic of)

2017-02-28

Highlights: • Clar’s sextet rule determine the relative stability of HBC nanographenes. • Coronene-like doping increases the electrical conductivity of the HBC. • Frenkel type exciton binding energy is predicted for HBC nanographenes. - Abstract: The electronic, optical, energetic, and structural properties of a HBC (hexa-peri-hexabenzocoronene) nanographene and its central benzene- and coronene-like BN substituted forms, and also full BN analogue were investigated using density functional theory. It was found that a larger number of carbon atoms cause a more negative cohesive energy and, thereby a greater structural stability. Our nucleus independent chemical shift analysis indicates that the aromaticity and Clar’s sextet rule determine the relative stability of these structures. The benzene-like or coronene-like doping makes the HBC more insulator or semiconductor. Electron-hole Frenkel type exciton binding energy was predicted and calculated to be nearly identical for all nanographenes in the range of 0.61–0.69 eV. The coronene-like BN-doped HBC (BN2-HBN) shows higher conductivity due to very narrow optical and HOMO-LUMO energy gap. Partial density of states analysis indicates that the BN2-HBC electronically can be assumed a full BN whose peripheral atoms are replaced by carbon atoms. These carbon atoms are responsible for new states which are appeared within the gap.

Low-energy neutral atom emission from the Earth's magnetosphere

International Nuclear Information System (INIS)

Moore, K.R.; Scime, E.E.; Funsten, H.O.; McComas, D.J.; Thomsen, M.F.

1994-01-01

Imaging of the terrestrial magnetosphere is possible through the detection of low-energy neutral atoms (LENAs) produced by charge exchange between magnetospheric plasma ions and neutral atoms of the Earth's geocorona. The authors present calculations of both hydrogen and oxygen line-of-sight LENA fluxes expected on orbit for various plasma regimes as predicted by the Rice University Magnetospheric Specification Model. To decrease the required computation time, they are in the process of adapting their code for massively parallel computers. The speed gains achieved from parallel algorithms are substantial, and they present results from computational runs on the Connection Machine CM-2 data parallel supercomputer. They also estimate expected image count rates and image quality based on realistic instrument geometric factors, energy passbands, neutral atom scattering in the instrument, and image accumulation intervals. The results indicate that LENA imaging instruments will need a geometric factor (G) on the order of 0.1 cm 2 sr eV/eV to be capable of imaging storm time ring currents, and a G of 1.0 cm 2 sr eV/eV in order to image the quiet time ring current fluxes, ion injections from the tail, and subsequent ion drifts toward the dayside magnetopause

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

Energy Technology Data Exchange (ETDEWEB)

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.

Variations in Ring Particle Cooling across Saturn's Rings with Cassini CIRS

Science.gov (United States)

Brooks, S. M.; Spilker, L. J.; Pilorz, S.; Edgington, S. G.; Déau, E.; Altobelli, N.

2010-12-01

Cassini's Composite Infrared Spectrometer has recorded over two million of spectra of Saturn's rings in the far infrared since arriving at Saturn in 2004. CIRS records far infrared radiation between 10 and 600 cm-1 ( 16.7 and 1000 μ {m} ) at focal plane 1 (FP1), which has a field of view of 3.9 mrad. Thermal emission from Saturn’s rings peaks in this wavelength range. Ring temperatures can be inferred from FP1 data. By tracking how ring temperatures vary, we can determine the thermal inertia of the rings. Previous studies have shown that the rings' thermal inertia, a measure of their response to changes in the thermal environment, varies from ring to ring. Thermal inertia can provide insight into the physical structure of Saturn's ring particles and their regoliths. Low thermal inertia and rapidly changing temperatures are suggestive of ring particles that have more porous or fluffy regoliths or that are riddled with cracks. Solid particles can be expected to have higher thermal inertias. Ferrari et al. (2005) fit thermal inertia values of 5218 {Jm)-2 {K}-1 {s}-1/2 to their B ring data and 6412 {Jm)-2 {K}-1 {s}-1/2 to their C ring data. In this work we focus on CIRS observations of the shadowed portion of Saturn's rings. The rings’ thermal budget is dominated by its absorption of solar radiation. As a result, ring particles abruptly cool as they traverse Saturn's shadow. From these shadow observations we can create cooling curves at specific locations across the rings. We will show that the rings' cooling curves and thus their thermal inertia vary not only from ring to ring, but by location within the individual rings. This research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. Copyright 2010 California Institute of Technology. Government sponsorship acknowledged.

Change of Energy of the Cubic Subnanocluster of Iron Under Influence of Interstitial and Substitutional Atoms.

Science.gov (United States)

Nedolya, Anatoliy V; Bondarenko, Natalya V

2016-12-01

Energy change of an iron face-centred cubic subnanocluster was evaluated using molecular mechanics method depending on the position of a carbon interstitial atom and substitutional atoms of nickel. Calculations of all possible positions of impurity atoms show that the energy change of the system are discrete and at certain positions of the atoms are close to continuous.In terms of energy, when all impurity atoms are on the same edge of an atomic cluster, their positions are more advantageous. The presence of nickel atoms on the edge of a cubic cluster resulted in decrease of potential barrier for a carbon atom and decrease in energy in the whole cluster. A similar drift of a carbon atom from central octahedral interstitial site to the surface in the direction occurred under the influence of surface factors.Such configuration corresponds to decreasing symmetry and increasing the number of possible energy states of a subnanocluster, and it corresponds to the condition of spontaneous crystallization process in an isolated system.Taking into account accidental positions of the nickel atom in the iron cluster, such behaviour of the carbon atom can explain the mechanism of growth of a new phase and formation of new clusters in the presence of other kind of atoms because of surface influence.

catena-Poly[lead(II-[μ-2,4-diamino-6-(piperidin-1-ylpyrimidine N-oxide-κ2O:O]di-μ-iodido

Directory of Open Access Journals (Sweden)

Maryam Ranjbar

2009-07-01

Full Text Available The N-oxide O atom of the minoxidil unit in the 1/1 adduct with lead(II iodide, [PbI2(C9H15N5O]n, bridges two PbII atoms, as do each of the I atoms. The bridging interactions give rise to a linear chain motif that propagates along the a axis of the orthorhombic unit cell. The coordination sphere around the six-coordinate PbII atom is a distorted ψ-monocapped octahedron in which the stereochemically active lone pair caps one of the faces defined by the O and I atoms forming the longer Pb—O or Pb—I bonds. The PbII atom lies on a mirror plane; the mirror plane is perpendicular to the pyrimidine ring and it bisects the piperidine ring. The aromatic ring is disordered about the mirror plane with respect to the 1-nitrogen and 5-carbon atoms.

Conformal atomic layer deposition of alumina on millimeter tall, vertically-aligned carbon nanotube arrays.

Science.gov (United States)

Stano, Kelly L; Carroll, Murphy; Padbury, Richard; McCord, Marian; Jur, Jesse S; Bradford, Philip D

2014-11-12

Atomic layer deposition (ALD) can be used to coat high aspect ratio and high surface area substrates with conformal and precisely controlled thin films. Vertically aligned arrays of multiwalled carbon nanotubes (MWCNTs) with lengths up to 1.5 mm were conformally coated with alumina from base to tip. The nucleation and growth behaviors of Al2O3 ALD precursors on the MWCNTs were studied as a function of CNT surface chemistry. CNT surfaces were modified through a series of post-treatments including pyrolytic carbon deposition, high temperature thermal annealing, and oxygen plasma functionalization. Conformal coatings were achieved where post-treatments resulted in increased defect density as well as the extent of functionalization, as characterized by X-ray photoelectron spectroscopy and Raman spectroscopy. Using thermogravimetric analysis, it was determined that MWCNTs treated with pyrolytic carbon and plasma functionalization prior to ALD coating were more stable to thermal oxidation than pristine ALD coated samples. Functionalized and ALD coated arrays had a compressive modulus more than two times higher than a pristine array coated for the same number of cycles. Cross-sectional energy dispersive X-ray spectroscopy confirmed that Al2O3 could be uniformly deposited through the entire thickness of the vertically aligned MWCNT array by manipulating sample orientation and mounting techniques. Following the ALD coating, the MWCNT arrays demonstrated hydrophilic wetting behavior and also exhibited foam-like recovery following compressive strain.

Verification of annual growth rings in Egyptian trees by C-14 method

International Nuclear Information System (INIS)

Belacy, N.; Abou El-Nour, F.; Jacoby, G.C.

1990-01-01

Annual growth rings in trees were thought to be due to sharp seasonal variations in the precipitation rates during the year. Accordingly temperature zone trees such as Egyptian trees were supposed to be away from this phenomenon. The temperature zones which are meant here are those of no sharp seasonal variations in the precipitation rates. The present study applied carbon-14 dating to prove that the growth rings in some Egyptian trees are annual. The method was based on the tropospheric measurements of C-14 during the period 1954-1981. C-14 exhibited a sharp peak resulting from the ever greater series of nuclear tests during 1963-1965. The presence of this peak for Egyptian trees proved that they form annual growth rings. (orig.) [de