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Sample records for pseudograph alpha-carbon atom

  1. 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

  2. Anomalous atomic volume of alpha-Pu

    DEFF Research Database (Denmark)

    Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt

    1997-01-01

    We have performed full charge-density calculations for the equilibrium atomic volumes of the alpha-phase light actinide metals using the local density approximation (LDA) and the generalized gradient approximation (GGA). The average deviation between the experimental and the GGA atomic radii is 1.......3%. The comparison between the LDA and GGA results show that the anomalously large atomic volume of alpha-Pu relative to alpha-Np can be ascribed to exchange-correlation effects connected with the presence of low coordinated sites in the structure where the f electrons are close to the onset of localization...

  3. Total and Local Quadratic Indices of the Molecular Pseudograph's Atom Adjacency Matrix: Applications to the Prediction of Physical Properties of Organic Compounds

    Directory of Open Access Journals (Sweden)

    Yovani Marrero Ponce

    2003-08-01

    Full Text Available A novel topological approach for obtaining a family of new molecular descriptors is proposed. In this connection, a vector space E (molecular vector space, whose elements are organic molecules, is defined as a “direct sum“ of different ℜi spaces. In this way we can represent molecules having a total of i atoms as elements (vectors of the vector spaces ℜi (i=1, 2, 3,..., n; where n is number of atoms in the molecule. In these spaces the components of the vectors are atomic properties that characterize each kind of atom in particular. The total quadratic indices are based on the calculation of mathematical quadratic forms. These forms are functions of the k-th power of the molecular pseudograph's atom adjacency matrix (M. For simplicity, canonical bases are selected as the quadratic forms' bases. These indices were generalized to “higher analogues“ as number sequences. In addition, this paper also introduces a local approach (local invariant for molecular quadratic indices. This approach is based mainly on the use of a local matrix [Mk(G, FR]. This local matrix is obtained from the k-th power (Mk(G of the atom adjacency matrix M. Mk(G, FR includes the elements of the fragment of interest and those that are connected with it, through paths of length k. Finally, total (and local quadratic indices have been used in QSPR studies of four series of organic compounds. The quantitative models found are significant from a statistical point of view and permit a clear interpretation of the studied properties in terms of the structural features of molecules. External prediction series and cross-validation procedures (leave-one-out and leave-group-out assessed model predictability. The reported method has shown similar results, compared with other topological approaches. The results obtained were the following: a Seven physical properties of 74 normal and branched alkanes (boiling points

  4. 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)

  5. Influence of carbon source on alpha-amylase production by Aspergillus oryzae

    DEFF Research Database (Denmark)

    Carlsen, Morten; Nielsen, Jens

    2001-01-01

    on sucrose, fructose, glycerol, mannitol and acetate. During growth on acetate there was no production of alpha -amylase, whereas addition of small amounts of glucose resulted in alpha -amylase production. A possible induction by alpha -methyl-D-glucoside during growth on glucose was also investigated......, but this compound was not found to be a better inducer of alpha -amylase production than glucose. The results strongly indicate that besides acting as a repressor via the CreA protein, glucose acts as an inducer.......The influence of the carbon source on a-amylase production by Aspergillus oryzae was quantified in carbon-limited chemostat cultures. The following carbon sources were investigated: maltose, maltodextrin (different chain lengths), glucose, fructose, galactose, sucrose, glycerol, mannitol...

  6. 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.

  7. Carbon stars with alpha-C:H emission

    Science.gov (United States)

    Gerbault, Florence; Goebel, John H.

    1989-01-01

    Many carbon stars in the IRS low resolution spectra (LRS) catalog were found which display emission spectra that compare favorable with the absorption spectrum of alpha-C:H. These stars have largely been classified as 4X in the LRS which has led to their interpretation by others in terms of displaying a mixture of the UIRF's 8.6 micron band and SiC at 11.5 microns. It was also found that many of these stars have a spectral upturn at 20+ microns which resembles the MgS band seen in carbon stars and planetary nebulae. It was concluded that this group of carbon stars will evolve into planetary nebulae like NGC 7027 and IC 418. In the presence of hard ultraviolet radiation the UIRF's will light up and be displayed as narrow emission bands on top of the broad alpha-C:H emission bands.

  8. Coupled gamma/alpha phase transformations in low-carbon steels

    Science.gov (United States)

    Mizutani, Yasushi

    Since steels have been the most prevalently utilized materials for many years, the desire for steels with low alloying components with a well-balanced combination of high strength and toughness is increasing. Low carbon steels consisting of bainitic microstructures are ideally suited to meeting such technological and economic requirements. Thus it is extremely important to fully clarify the mechanism of bainite formation in order to produce this type of engineering steel by optimized alloy and process design. This research focuses on understanding the mechanism of coupled displacive/diffusional gamma/alpha transformation in low-carbon steels including bainitic and martensitic transformation, and establishing a more comprehensive and physically rational computational model for predictive control of coupled gamma/alpha transformation phenomena. Models for coupled gamma/alpha phase transformation proposed in this study are based on a mechanistic and unified theory and the following assumptions: (1) The energy dissipation due to interface motion can be linearly combined with the energy dissipation due to carbon diffusion. (2) The carbon concentrations at the interface in both gamma and alpha phases are constrained by an interface solute trapping law. (3) Interface motion during nucleation is also governed by the carbon diffusion field velocity. (4) The response function of glissile interface motion can be expressed in the form of thermally activated dislocation glide. In contrast to the conventional semi-empirical models of the previous literature, the computational model proposed in this study is demonstrated to successfully provide a comprehensive and quantitative prediction of the effects of temperature, composition, microstructure, and the interactions among them. This includes the effects of substitutional solutes, morphology of the parent gamma phase, density of nucleation sites, temperature dependent variation of flow stress of matrix, and dynamic recovery of

  9. Innershell ionization by fast protons, alpha particles and carbon ions

    International Nuclear Information System (INIS)

    Dijk, J.H. van.

    1984-01-01

    The subject of this thesis is the study of inner-shell excitations of atoms induced by fast charged particle collisions. A new method is described for measuring the spectrum of delta-electrons emitted by 208 Pb after excitation by 15 MeV protons or 50 MeV alpha particles. Experimental equipment is described. Results of both experiments are presented and compared with PWBA models and with calculations based on a semi-classical approximation. The small-impact-parameter ionization probabilities obtained are then compared with literature. Also small-impact-parameter measurements done with 100 MeV carbon ions are described. Besides K-shell measurements, the author also presents L-subshell ionization probability results for Pb. An appendix is added in which energy straggling problems in solid targets are treated. (Auth./G.J.P.)

  10. A practical relation between atomic numbers and alpha coefficients

    International Nuclear Information System (INIS)

    Lachance, G.R.

    1980-01-01

    A first approximation indicates that fundamental alpha coefficients for a given analyte vary as a function of the ratio of their respective atomic number raised to a power. This simple rule applies mainly at the limits (i.e., when the weight fraction of analyte i, Wsub(i) is of the order of 0.0 or 1.0) in cases of absorption and weak enhancement. The relation thus provides a means of generating coefficients for the system i-k from experimental data obtained on system i-j and a means of verifying experimental alphas, since arrays of coefficients must show a high degree of concordance. (author)

  11. 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)

  12. 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.

  13. Role of carbon atoms in the remote plasma deposition of hydrogenated amorphous carbon

    International Nuclear Information System (INIS)

    Benedikt, J.; Wisse, M.; Woen, R.V.; Engeln, R.; Sanden, M.C.M. van de

    2003-01-01

    The aim of this article is to determine the role of carbon atoms in the growth of hydrogenated amorphous carbon (a-C:H) films by means of an argon/acetylene expanding thermal plasma. Cavity ring down absorption spectroscopy is used to detect metastable carbon atoms by probing the 1s 2 2s 2 2p 3s 1 P 1 2 2s 2 2p 2 1 S 0 electronic transition. In addition to absorption measurements, the emission of the same transition is monitored by means of optical emission spectroscopy. These two measurements provide information about the local production of the C atoms and about their reactivity in the gas phase. It will be shown that under growth conditions in an Ar/C 2 H 2 expanding thermal plasma, the metastable carbon density is also representative for the ground state carbon density. From obtained results it is concluded that the carbon atoms react rapidly with acetylene in the gas phase and therefore their contribution to the growth of hard diamond-like a-C:H films can be neglected. Only at low acetylene flows, the condition when soft polymer-like films are deposited, carbon atoms are detected close to the substrate and can possibly contribute to the film growth

  14. 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)

  15. 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.

  16. 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

  17. 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

  18. Syntheses of protoporphyrin-IX regioselectivity carbon-13 labelled at the alpha-vinyl carbons

    International Nuclear Information System (INIS)

    Smith, K.M.; Fujinari, E.M.

    1986-01-01

    A method for transformation of readily available beta-vinyl 99% carbon-13 enriched derivatives of protoporphyrin-IX dimethyl ester into the less accessible alpha-vinyl labelled isomers is described. The procedure involves thallium(III) promoted vinyl carbon rearrangement, and proceeds through 2,2-dimethoxyethyl, formylmethyl, 2-hydroxyethyl and 2-chloroethyl porphyrins; the rearranged vinyl groups are regenerated from 2-chloroethyl in the last step by treatment with base. No evidence of vinyl carbon scrambling in the sequence is observed, and spectroscopic data of the products are given. (author)

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Stage IV in electrical resistivity return to alpha-iron

    International Nuclear Information System (INIS)

    Poltavtseva, V.P.

    2004-01-01

    alpha-iron electrical resistivity increment return within this stage temperature range is related to migration of vacancies. Good agreement of the results obtained for the 99.8 % purity degree alpha-iron with the published data, speaks in favor of an idea about existence of a stage of potential dissociation of monovacancy complexes with carbon atoms instead of the vacancy annealing stage. The effect of carbon atoms on annealing within this temperature range is supported by occurrence of a stage at 377 K, which is identified definitely as the carbon atom migration stage

  4. Modifications of the optical properties for DAM-ADC nuclear track detector exposed to alpha particles

    Science.gov (United States)

    Rammah, Y. S.; Awad, E. M.

    2018-05-01

    Modifications of the optical properties of diallyl maleate-allyl diglycol carbonate (DAM-ADC) nuclear detector induced by alpha particles are described. DAM-ADC samples were irradiated perpendicularly by thin 241Am disk source that emits alpha particles with 5.48 MeV. The optical absorption has been measured using the ultraviolet-visible (UV-1100) spectroscopy. It was found that DAM-ADC polymer shows substantial modifications in its optical characteristics upon irradiated with alpha particles with different energies. The optical energy band gap (Egap) for the detector was calculated for the direct and the indirect allowed transitions in K-space using two approaches (Tauc's model and absorption spectrum fitting (ASF) method). Urbach's energy (Ea), number of carbon atoms per conjugated length (N), number of carbon atoms per cluster (M), and refractive index (n) for the present samples were determined. Results reveal that the values of energy gap in direct transition are greater than those of indirect, before and after irradiation. (Egap), (Ea), (N), (M), and (n) of the present samples are changed significantly with irradiation time and value of alpha energy. Results reflect the possibility of using DAM-ADC polymer track detectors to estimate alpha particle energies using the variation of the absorbance.

  5. The Atomic Physics of Fe K alpha: Toward Accurate Abundance Diagnostics for Supernova Remnants

    Science.gov (United States)

    Brickhouse, Nancy

    2009-09-01

    We propose to conduct a case study of Fe XVI K alpha emission produced during the transient ionization of a supernova remnant. This study includes critical evaluation of the existing data for electron impact inner-shell ionization and fluorescence yields, including tests conducted using a variety of theoretical atomic physics methods. Standard and newly developed atomic codes will be used. Once error estimates for the atomic data are complete, we will propagate these errors using the APEC code to simulate spectra and determine the overall accuracy of iron abundances determined from X-ray spectra.

  6. Thermogravimetry of alpha, omega-diaminoalkanes used in synthesizing zsm-5

    CSIR Research Space (South Africa)

    Howden, MG

    1993-04-01

    Full Text Available Thermogravimetry was determined on a series of alpha, omega-diaminoalkanes, in which the alkane chain contained from three to eight carbon atoms that were located in zeolite ZSM-5 during synthesis. Of the series, 1, 6-diaminohexane functions best...

  7. Neutron induced alpha production from carbon between 18 and 22 MeV

    International Nuclear Information System (INIS)

    Stevens, A.P.

    1976-10-01

    Cross sections for neutron induced alpha production in carbon were measured at seventeen energies between 18 and 22 MeV, using a deuterated anthracene crystal as both target and detector. Pulse shape discrimination was employed to separate the alphas and elastically scattered deuterons from the other reaction products. Published (n,d) elastic scattering data were used as a standard to obtain the alpha production cross sections. Comparison with available measurements shows good agreement

  8. 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.

  9. 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.

  10. Survey of atomic data base needs and accuracies for helium beam stopping and alpha particle diagnostics for ITER

    International Nuclear Information System (INIS)

    Summers, H.P.; Hellermann, M. von.

    1992-01-01

    This report is concerned with establishing a recommended collection of atomic collision data for the modelling, experimental investigation and exploitation of helium beams. The motivation stems from proposals for diagnostic beams for the ITER tokamak, targeted at alpha particle measurement via double charge transfer, neutralized alpha particle analysis and spectroscopic analysis of recombination radiation. The report discusses the beam energies, species involved in collisions with the helium atom beam (fuel, helium ash and plasma impurities) and plasma conditions prevailing in large tokamak devices. It also lists the required cross-section data

  11. Removal Of Labeled ALPHA-Fetoprotein (AFP) Using Rice Husk-Based Activated Carbon

    International Nuclear Information System (INIS)

    ABDEL-MOUHTY, N.R.

    2009-01-01

    Biomass agricultural waste materials, rice husk (RH) or saw dust (SD), were used for the preparation of activated carbons. RH was activated by chemical activation using phosphoric acid or potassium hydroxide. The prepared activated carbons were characterized and used for the adsorption of labeled alpha-fetoprotein ( 125 I-AFP) from the lab waste of iodine labeled alpha-fetoprotein tracer. The effects of various factors, e.g. carbon type, carbon dosage, temperature, particle size of carbon, effect of different waste volumes on the adsorption capacity, were quantitatively determined. Desorption of activated carbon was also investigated. From the experimental results, it was found that SDK had the lowest ability for adsorption of 125I-AFP and the highest uptake was 83% by carbon RHH. The amount of adsorption accomplished per unit weight of a solid adsorbent was greater, the more finely divided and the more porous the solid. 0.5 g for RHH carbon was found to be optimum dose of adsorbent for the removal of 125I-AFP. The optimum volume of waste with 0.5 g dose of RHH was 15 ml. The increased adsorption with temperature may be due to the increase of the intra-particle diffusion rate of sorbate ions into the pores at higher temperature as diffusion is an endothermic process.

  12. 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)

  13. Hydrogenation of surface carbon on alumina-supported nickel

    Energy Technology Data Exchange (ETDEWEB)

    Mccarthy, J.G.; Wise, H.

    1979-05-01

    The methanation of carbon deposited by CO or ethylene decomposition on Girdler G-65 catalyst (25Vertical Bar3< nickel, 8Vertical Bar3< alkali, mostly CaO, 4Vertical Bar3< C as graphite, on alumina) was studied by temperature-programed desorption and temperature-programed surface reaction. Four types of carbon were identified: ..cap alpha..-carbon consisted of isolated carbon atoms bonded to nickel and reacting with hydrogen at 470/sup 0/ +/- 20/sup 0/K; ..gamma..-carbon was probably a bulk carbide, most likely Ni/sub 3/C, which had a reaction peak at 550/sup 0/K; ..beta..-carbon consisted of amorphous, polymerized carbon, which had a reaction peak at 680/sup 0/K; and an unreactive crystalline graphite-like species. The ..cap alpha..-form was thermally unstable and transformed into the ..beta..-form above 600/sup 0/K. Both ..cap alpha..- and ..beta..-forms slowly converted to inert graphite above 600/sup 0/K. The evidence suggested that synthesis gas methanation proceeds by dissociative adsorption of CO as the rate-determining step which forms a very reactive carbon adatom state (..cap alpha..') which converts to the ..cap alpha..-state in the absence of hydrogen and to methane in the presence of hydrogen.

  14. 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

  15. The role of the achiral template in enantioselective transformations. Radical conjugate additions to alpha-methacrylates followed by hydrogen atom transfer.

    Science.gov (United States)

    Sibi, Mukund P; Sausker, Justin B

    2002-02-13

    We have evaluated various achiral templates (1a-g, 10, and 16) in conjunction with chiral Lewis acids in the conjugate addition of nucleophilic radicals to alpha-methacrylates followed by enantioselective H-atom transfer. Of these, a novel naphthosultam template (10) gave high enantioselectivity in the H-atom-transfer reactions with ee's up to 90%. A chiral Lewis acid derived from MgBr(2) and bisoxazoline (2) gave the highest selectivity in the enantioselective hydrogen-atom-transfer reactions. Non-C(2) symmetric oxazolines (20-25) have also been examined as ligands, and of these, compound 25 gave optimal results (87% yield and 80% ee). Insights into rotamer control in alpha-substituted acrylates and the critical role of the tetrahedral sulfone moiety in realizing high selectivity are discussed.

  16. 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.

  17. Adsorption behavior of alpha -cypermethrin on cork and activated carbon.

    Science.gov (United States)

    Domingues, Valentina F; Priolo, Giuseppe; Alves, Arminda C; Cabral, Miguel F; Delerue-Matos, Cristina

    2007-08-01

    Studies were undertaken to determine the adsorption behavior of alpha -cypermethrin [R)-alpha -cyano-3-phenoxybenzyl(1S)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate, and (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate] in solutions on granules of cork and activated carbon (GAC). The adsorption studies were carried out using a batch equilibrium technique. A gas chromatograph with an electron capture detector (GC-ECD) was used to analyze alpha -cypermethrin after solid phase extraction with C18 disks. Physical properties including real density, pore volume, surface area and pore diameter of cork were evaluated by mercury porosimetry. Characterization of cork particles showed variations thereby indicating the highly heterogeneous structure of the material. The average surface area of cork particles was lower than that of GAC. Kinetics adsorption studies allowed the determination of the equilibrium time - 24 hours for both cork (1-2 mm and 3-4 mm) and GAC. For the studied alpha -cypermethrin concentration range, GAC revealed to be a better sorbent. However, adsorption parameters for equilibrium concentrations, obtained through the Langmuir and Freundlich models, showed that granulated cork 1-2 mm have the maximum amount of adsorbed alpha-cypermethrin (q(m)) (303 microg/g); followed by GAC (186 microg/g) and cork 3-4 mm (136 microg/g). The standard deviation (SD) values, demonstrate that Freundlich model better describes the alpha -cypermethrin adsorption phenomena on GAC, while alpha -cypermethrin adsorption on cork (1-2 mm and 3-4 mm) is better described by the Langmuir. In view of the adsorption results obtained in this study it appears that granulated cork may be a better and a cheaper alternative to GAC for removing alpha -cypermethrin from water.

  18. 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.

  19. 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)

  20. 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.

  1. 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)

  2. The ALPHA antihydrogen trapping apparatus

    Energy Technology Data Exchange (ETDEWEB)

    Amole, C. [Department of Physics and Astronomy, York University, Toronto ON Canada, M3J 1P3 (Canada); Andresen, G.B. [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Ashkezari, M.D. [Department of Physics, Simon Fraser University, Burnaby, BC Canada, V5A 1S6 (Canada); Baquero-Ruiz, M. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Bertsche, W. [Department of Physics, College of Science, Swansea University, Swansea SA2 8PP (United Kingdom); School of Physics and Astronomy, University of Manchester, Manchester M13 9PL (United Kingdom); The Cockcroft Institute, Warrington WA4 4AD (United Kingdom); Bowe, P.D. [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Butler, E. [Physics Department, CERN, CH-1211 Geneva 23 (Switzerland); Capra, A. [Department of Physics and Astronomy, York University, Toronto ON Canada, M3J 1P3 (Canada); Carpenter, P.T. [Department of Physics, Auburn University, Auburn, AL 36849-5311 (United States); Cesar, C.L. [Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-972 (Brazil); Chapman, S. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Charlton, M.; Deller, A.; Eriksson, S. [Department of Physics, College of Science, Swansea University, Swansea SA2 8PP (United Kingdom); Escallier, J. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Fajans, J. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Friesen, T. [Department of Physics and Astronomy, University of Calgary, Calgary AB, Canada, T2N 1N4 (Canada); Fujiwara, M.C.; Gill, D.R. [TRIUMF, 4004 Wesbrook Mall, Vancouver BC, Canada V6T 2A3 (Canada); Gutierrez, A. [Department of Physics and Astronomy, University of British Columbia, Vancouver BC, Canada V6T 1Z4 (Canada); and others

    2014-01-21

    The ALPHA collaboration, based at CERN, has recently succeeded in confining cold antihydrogen atoms in a magnetic minimum neutral atom trap and has performed the first study of a resonant transition of the anti-atoms. The ALPHA apparatus will be described herein, with emphasis on the structural aspects, diagnostic methods and techniques that have enabled antihydrogen trapping and experimentation to be achieved.

  3. 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.

  4. Investigation of the thermoluminescent properties of nanosized Alpha-Al2 O3 doped with carbon for application in digital radiography

    International Nuclear Information System (INIS)

    Silva, Edna C.

    2013-01-01

    Thermoluminescent (TL) materials are mainly used in personal and environmental dosimetry. In addition to these applications, their use as the sensor element in the manufacturing of digital radiographic films has been investigated. Particularly, there is an interest concerned to the influence of the particle size in the TL response and in the resolution of the digital imaging. Aluminum oxide, or alumina, is a mineral found in the ruby or sapphire form, and may be synthetically produced in the alpha or gamma crystalline phase. Since the 50s, these materials have been studied in their diverse forms and phases. Particularly, the microsized α-Al 2 O 3 :C is considered one of the best TL dosimeter ever produced in the word. In this work, nanosized alumina particulates in the alpha phase, sintered at different temperatures and doped with different concentrations of carbon, were investigated aiming application in industrial radiography and medical diagnosis. The mixture of the oxide powder with the carbon source was pressed and sintered at temperatures of 1740 deg C and 1745 deg C, under reducing atmosphere. For doping purposes we have used two sources of carbon, graphite and high purity polyvinyl acetate (PVA), respectively. During the sintering process, intentional inclusion of oxygen vacancies into the oxide crystal lattice is performed, allowing the inclusion of carbon atoms into the crystal lattice. Among the samples studied, the nanosized alumina doped with 0.01at.% of carbon and sintered at 1745 deg C has shown an excellent thermoluminescent response, with sensitivity higher than that of LiF: Mg, Ti (TLD-100), when irradiated under similar conditions. This is an excellent result, since the material with nanosized particles offers the best features for radiographic image. Thus, it is concluded that the α-Al 2 O 3 doped with 0.01at.% of carbon is a good candidate for use in TL films for application in digital radiography. (author)

  5. Studies of iron carbon alloys; Contribution a l'etude des alliages dilues de carbone dans le fer {alpha}

    Energy Technology Data Exchange (ETDEWEB)

    Anagnostopoulos, T [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1971-07-01

    Precipitation of carbon in {alpha} iron during a thermal treatment was followed using the magnetic after effect. A study was made of the influence of different parameters such as quenching speed, annealing rate, carbon concentration with or without impurity, irradiation effects. A transient sur-saturation occurs during dissolution of carbon in iron at 500 C. (author) [French] La precipitation du carbone dans le fer au cours d'un traitement thermique a ete suivie au moyen du trainage magnetique. L'etude de differents parametres tels que: vitesse de trempe, mode de recuit, concentration en carbone, presence d'impuretes, effet d'une irradiation, ont ete menes a bien. Un phenomene de sursaturation transitoire au cours de la remise en solution a 500 C a ete mis en evidence. (auteur)

  6. Do atoms and anti-atoms obey the same laws of physics?

    CERN Multimedia

    Jeffrey Hangst

    2010-01-01

    ALPHA physicists have recently succeeded in trapping anti-atoms for the first time. Being able to hold on to the simplest atoms of antimatter is an important step towards the collaboration’s ultimate goal: precision spectroscopic comparison of hydrogen and antihydrogen. The question they are seeking to answer: do atoms and anti-atoms obey the same laws of physics? The Standard Model says that they must.   The ALPHA Collaboration celebrates the successful results. The ALPHA collaboration has taken it up a gear and trapped 38 atoms of antihydrogen for the first time. Antihydrogen atoms have been mass-produced at the Antiproton Decelerator (AD) since 2002, when ATHENA (ALPHA’s predecessor) and ATRAP learned how to mix clouds of antiprotons and positrons at cryogenic temperatures. However, these anti-atoms were not confined, and flew off in a few microseconds to meet their fate: annihilation with matter in the walls of the experiment. ALPHA uses antiprotons produced at...

  7. Alpha and beta detection and spectrometry

    International Nuclear Information System (INIS)

    Saro, S.

    1984-01-01

    The theory of alpha and beta radioactive decay, the interaction of alpha and beta particles with matter, and their detection and spectrometry are dealt with in seven chapters: 1. Alpha transformation of atomic nuclei; 2. Basic properties of detectors and statistics of detection; 3. Alpha detectors and spectrometers; 4. Applications of alpha detection and spectrometry; 5. Beta transformation of atomic nuclei; 6. Beta particle detectors and spectrometers; 7. Detection of low energy beta particles. Chapter 8 is devoted to sampling and preparation of samples for radiometry. (E.F.)

  8. 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.

  9. 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

  10. 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...

  11. 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...

  12. 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).

  13. Chemical and morphological changes during production of conducting carbons from ferrocene-poly (furfuryl alcohol)

    Energy Technology Data Exchange (ETDEWEB)

    Ozaki, J [Tohoku University, Sendai, Japan (Japan). Institute of Chemical Reaction Science; Cashion, J D; Brown, L J [Monash Univ., Clayton, VIC (Australia). Dept. of Physics

    1997-12-31

    Carbons are obtained by heating organic substances up to 1000 deg C under inert atmosphere. The electronic properties of carbons change dramatically during this carbonisation process. By controlled preparation, it is possible to obtain electronically functional materials. The addition of iron to the organic starting material has a strong modifying effect and, in particular, carbonising a ferrocene-poly(furfuryl alcohol) (PFA) mixture at 700 deg C produces a carbon with a comparable electron transfer rate to platinum. {sup 57} Moessbauer spectra showed that the first transformation of the ferrocene is to magnetite, at 200-300 deg C. At 600 deg C, the magnetite is converted to wustite, while at 650 deg C {alpha}-iron starts to appear. The final products at 800 deg C were {alpha}-iron, {gamma}-iron and cementite, Fe{sub 3}C. Morphological changes were studied by SEM. The tentative explanation for these results is that the iron promotes the elimination of oxygen from the initial PFA structure to produce magnetite. At 600-650 deg C , the magnetite is carbothermically reduced to wustite and {alpha}-iron, forming glassy carbon. Above 700 deg C, the iron dissolves carbon atoms to make a solid solution. On cooling, some of this fractionates into graphitic carbon, cementite and {gamma}-iron stabilised by the carbon atoms. We believe that the furry surface is produced in this cooling process

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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)

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. Interaction of scandium and titanium atoms with a carbon surface containing five- and seven-membered rings

    International Nuclear Information System (INIS)

    Krasnov, P. O.; Eliseeva, N. S.; Kuzubov, A. A.

    2012-01-01

    The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

  7. 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.

  8. 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.)

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.)

  14. 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.

  15. 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.

  16. 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

  17. Excess Charge for Pseudo-relativistic Atoms in Hartree-Fock Theory

    DEFF Research Database (Denmark)

    Dall'Acqua, Anna; Solovej, Jan Philip

    2010-01-01

    We prove within the Hartree-Fock theory of pseudo-relativistic atoms that the maximal negative ionization charge and the ionization energy of an atom remain bounded independently of the nuclear charge $Z$ and the fine structure constant $\\alpha$ as long as $Z\\alpha$ is bounded.......We prove within the Hartree-Fock theory of pseudo-relativistic atoms that the maximal negative ionization charge and the ionization energy of an atom remain bounded independently of the nuclear charge $Z$ and the fine structure constant $\\alpha$ as long as $Z\\alpha$ is bounded....

  18. Alpha particle diagnostics using impurity pellet injection (invited)

    International Nuclear Information System (INIS)

    Fisher, R.K.; McChesney, J.M.; Howald, A.W.; Parks, P.B.; Snipes, J.A.; Terry, J.L.; Marmar, E.S.; Zweben, S.J.; Medley, S.S.

    1992-01-01

    We have proposed using impurity pellet injection to measure the energy distribution of the fast confined alpha particles in a reacting plasma [R. K. Fisher et al., Fusion Technol. 13, 536 (1988)]. The ablation cloud surrounding the injected pellet is thick enough that an equilibrium fraction F ∞ 0 (E) of the incident alphas should be neutralized as they pass through the cloud. By observing neutrals created in the large spatial region of the cloud which is expected to be dominated by the heliumlike ionization state, e.g., Li + ions, we can determine the incident alpha distribution dn He 2+ /dE from the measured energy distribution of neutral helium atoms dn He 0 /dE using dn He 0 /dE = dn He 2+ /dE·F ∞ 0 (E,Li + ). Initial experiments were performed on the Texas Experimental Tokamak (TEXT) in which we compared pellet penetration with our impurity pellet ablation model [P. B. Parks et al., Nucl. Fusion 28, 477 (1988)], and measured the spatial distribution of various ionization states in carbon pellet clouds [R. K. Fisher et al., Rev. Sci. Instrum. 61, 3196 (1990)]. Experiments have recently begun on the Tokamak Fusion Test Reactor (TFTR) with the goal of measuring the alpha particle energy distribution during D--T operation in 1993--94. A series of preliminary experiments are planned to test the diagnostic concept. The first experiments will observe neutrals from beam-injected deuterium ions and the high energy 3 He tail produced during ion cyclotron (ICH) minority heating on TFTR interacting with the cloud. We will also monitor by line radiation the charge state distributions in lithium, boron, and carbon clouds

  19. 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)

  20. 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

  1. 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).

  2. Negative ion emission at field electron emission from amorphous (alpha-C:H) carbon

    CERN Document Server

    Bernatskij, D P; Ivanov-Omskij, V I; Pavlov, V G; Zvonareva, T K

    2001-01-01

    The study on the electrons field emission from the plane cathode surface on the basis of the amorphous carbon film (alpha-C:H) is carried out. The methodology, making it possible to accomplish simultaneously the registration of the emission currents and visually observe the distribution of the emission centers on the plane emitter surface is developed. The analysis of the oscillograms indicated that apart from the proper electron constituent the negative ions of hydrogen (H sup - and H sub 2 sup -), carbon (C sup -) and hydrocarbon (CH sub n sup -) are observed. The ions emission is connected with the processes of formation and degradation of the local emission centers

  3. Bovine serum albumin-catalyzed deprotonation of [1-(13)C]glycolaldehyde: protein reactivity toward deprotonation of the alpha-hydroxy alpha-carbonyl carbon.

    Science.gov (United States)

    Go, Maybelle K; Malabanan, M Merced; Amyes, Tina L; Richard, John P

    2010-09-07

    Bovine serum albumin (BSA) in D(2)O at 25 degrees C and pD 7.0 was found to catalyze the deuterium exchange reactions of [1-(13)C]glycolaldehyde ([1-(13)C]GA) to form [1-(13)C,2-(2)H]GA and [1-(13)C,2,2-di-(2)H]GA. The formation of [1-(13)C,2-(2)H]GA and [1-(13)C,2,2-di-(2)H]GA in a total yield of 51 +/- 3% was observed at early reaction times, and at later times, [1-(13)C,2-(2)H]GA was found to undergo BSA-catalyzed conversion to [1-(13)C,2,2-di-(2)H]GA. The overall second-order rate constant for these deuterium exchange reactions [(k(E))(P)] equals 0.25 M(-1) s(-1). By comparison, (k(E))(P) values of 0.04 M(-1) s(-1) [Go, M. K., Amyes, T. L., and Richard, J. P. (2009) Biochemistry 48, 5769-5778] and 0.06 M(-1) s(-1) [Go, M. K., Koudelka, A., Amyes, T. L., and Richard, J. P. (2010) Biochemistry 49, 5377-5389] have been determined for the wild-type- and K12G mutant TIM-catalyzed deuterium exchange reactions of [1-(13)C]GA, respectively, to form [1-(13)C,2,2-di-(2)H]GA. These data show that TIM and BSA exhibit a modest catalytic activity toward deprotonation of the alpha-hydroxy alpha-carbonyl carbon. We suggest that this activity is intrinsic to many globular proteins, and that it must be enhanced to demonstrate meaningful de novo design of protein catalysts of proton transfer at alpha-carbonyl carbon.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Effective liquid drop description for alpha decay of atomic nuclei

    International Nuclear Information System (INIS)

    Tavares, O.A.P.; Duarte, S.B.; Rodriguez, O.; Guzman, F.; Goncalves, M.; Garcia, F.

    1998-06-01

    Alpha decay half-lives are presented in the framework of an effective liquid drop model for different combination of mass transfer descriptions and inertia coefficients. Calculated half-life-values for ground-state to ground-state favoured alpha transitions are compared with available, updated experimental data. Results have shown that the present model is very suitable to treat the alpha decay process on equal foot as cluster radioactivity and cold fission processes. Better agreement with the data is found when the sub-set of even-even alpha emitters are considered in the calculation. (author)

  9. 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.

  10. Atomic force microscopic neutron-induced alpha-autoradiography for boron imaging in detailed cellular histology

    International Nuclear Information System (INIS)

    Amemiya, K.; Takahashi, H.; Fujita, K.; Nakazawa, M.; Yanagie, H.; Eriguchi, M.; Nakagawa, Y.; Sakurai, Y.

    2006-01-01

    The information on subcellular microdistribution of 10 B compounds a cell is significant to evaluate the efficacy of boron neutron capture therapy (BNCT) because the damage brought by the released alpha/lithium particles is highly localized along their path, and radiation sensitivity is quite different among each cell organelles. In neutron-induced alpha-autoradiography (NIAR) technique, 10 B can be measured as tracks for the energetic charged particles from 10 B(n, alpha) 7 Li reactions in solid state track detectors. To perform the NIAR at intracellular structure level for research of 10 B uptake and/or microdosimetry in BNCT, we have developed high-resolution NIAR method with an atomic force microscope (AFM). AFM has been used for analyses of biological specimens such as proteins, DNAs and surface of living cells have, however, intracellular detailed histology of cells has been hardly resolved with AFM since flat surface of sectioned tissue has quite less topographical contrast among each organelle. In our new sample preparation method using UV processing, materials that absorb UV in a semi-thin section are selectively eroded and vaporized by UV exposure, and then fine relief for cellular organelles such as mitochondria, endoplasmic reticulum, filament structure and so on reveals on flat surface of the section, which can be observed with an AFM. The imaging resolution was comparable to TEM imaging of cells. This new method provides fast and cost-effective observation of histological sections with an AFM. Combining this method with NIAR technique, intracellular boron mapping would be possible. (author)

  11. 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.

  12. 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.

  13. 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

  14. 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.)

  15. 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.

  16. 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.

  17. Effective liquid drop description for alpha decay of atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Tavares, O.A.P.; Duarte, S.B. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Rodriguez, O.; Guzman, F. [Instituto Superior de Ciencia y Tecnologia Nuclear (ISCTN), La Habana (Cuba); Goncalves, M. [Instituto de Radioprotecao e Dosimetria (IRD), Rio de Janeiro, RJ (Brazil); Garcia, F. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica

    1998-06-01

    Alpha decay half-lives are presented in the framework of an effective liquid drop model for different combination of mass transfer descriptions and inertia coefficients. Calculated half-life-values for ground-state to ground-state favoured alpha transitions are compared with available, updated experimental data. Results have shown that the present model is very suitable to treat the alpha decay process on equal foot as cluster radioactivity and cold fission processes. Better agreement with the data is found when the sub-set of even-even alpha emitters are considered in the calculation. (author) 44 refs., 5 figs., 3 tabs.; e-mail: telo at ird.gov.br

  18. 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.

  19. ALPHA freezes antiprotons

    CERN Multimedia

    CERN Bulletin

    2010-01-01

    Laboratories like CERN can routinely produce many different types of antiparticles. In 1995, the PS210 experiment formed the first antihydrogen atoms and a few years later, in 2002, ATRAP and ATHENA were already able to produce several thousand of them. However, no experiment in the world has succeeded in ‘trapping’ these anti-atoms in order to study them. This is the goal of the ALPHA experiment, which has recently managed to cool down the antiprotons to just a few Kelvin. This represents a major step towards trapping the anti-atom, thus opening a new avenue into the investigation of antimatter properties.   Members of the ALPHA collaboration working on the apparatus in the Antiproton Decelerator experimental hall at CERN. Just like the atom, the anti-atom is neutral. Unlike the atom, the anti-atom is made up of antiprotons (as opposed to protons in the atom) and positrons (as opposed to electrons). In order to thoroughly study the properties of the anti-atoms, scien...

  20. 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.

  1. Isoporphyrin intermediate in heme oxygenase catalysis. Oxidation of alpha-meso-phenylheme.

    Science.gov (United States)

    Evans, John P; Niemevz, Fernando; Buldain, Graciela; de Montellano, Paul Ortiz

    2008-07-11

    Human heme oxygenase-1 (hHO-1) catalyzes the O2- and NADPH-dependent oxidation of heme to biliverdin, CO, and free iron. The first step involves regiospecific insertion of an oxygen atom at the alpha-meso carbon by a ferric hydroperoxide and is predicted to proceed via an isoporphyrin pi-cation intermediate. Here we report spectroscopic detection of a transient intermediate during oxidation by hHO-1 of alpha-meso-phenylheme-IX, alpha-meso-(p-methylphenyl)-mesoheme-III, and alpha-meso-(p-trifluoromethylphenyl)-mesoheme-III. In agreement with previous experiments (Wang, J., Niemevz, F., Lad, L., Huang, L., Alvarez, D. E., Buldain, G., Poulos, T. L., and Ortiz de Montellano, P. R. (2004) J. Biol. Chem. 279, 42593-42604), only the alpha-biliverdin isomer is produced with concomitant formation of the corresponding benzoic acid. The transient intermediate observed in the NADPH-P450 reductase-catalyzed reaction accumulated when the reaction was supported by H2O2 and exhibited the absorption maxima at 435 and 930 nm characteristic of an isoporphyrin. Product analysis by reversed phase high performance liquid chromatography and liquid chromatography electrospray ionization mass spectrometry of the product generated with H2O2 identified it as an isoporphyrin that, on quenching, decayed to benzoylbiliverdin. In the presence of H218O2, one labeled oxygen atom was incorporated into these products. The hHO-1-isoporphyrin complexes were found to have half-lives of 1.7 and 2.4 h for the p-trifluoromethyl- and p-methyl-substituted phenylhemes, respectively. The addition of NADPH-P450 reductase to the H2O2-generated hHO-1-isoporphyrin complex produced alpha-biliverdin, confirming its role as a reaction intermediate. Identification of an isoporphyrin intermediate in the catalytic sequence of hHO-1, the first such intermediate observed in hemoprotein catalysis, completes our understanding of the critical first step of heme oxidation.

  2. 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)

  3. Synthesis and characterization of arylamine derivatives of rauwolscine as molecular probes for alpha 2-adrenergic receptors

    International Nuclear Information System (INIS)

    Lanier, S.M.; Graham, R.M.; Hess, H.J.; Grodski, A.; Repaske, M.G.; Nunnari, J.M.; Limbird, L.E.; Homcy, C.J.

    1987-01-01

    The selective alpha 2-adrenergic receptor antagonist rauwolscine was structurally modified to yield a series of arylamine carboxamide derivatives, which were investigated as potential molecular probes for the localization and structural characterization of alpha 2-adrenergic receptors. The arylamine carboxamides differ in the number of carbon atoms separating the reactive phenyl moiety from the fused ring structure of the parent compound, rauwolscine carboxylate. Competitive inhibition studies with [ 3 H]rauwolscine in rat kidney membranes indicate that the affinity for the carboxamide derivatives is inversely related to the length of the carbon spacer arm with rauwolscine 4-aminophenyl carboxamide exhibiting the highest affinity (Kd = 2.3 +/- 0.2 nM). Radioiodination of rau-AMPC yields a ligand, 125 I-rau-AMPC, which binds to rat kidney alpha 2-adrenergic receptors with high affinity, as determined by both kinetic analysis (Kd = k2/k1 = 0.016 min-1/2.1 X 10(7) M-1 min-1 = 0.76 nM) and equilibrium binding studies (Kd = 0.78 +/- 0.16 nM). 125 I-rau-AMPC was quantitatively converted to the photolabile arylazide derivative 17 alpha-hydroxy-20 alpha-yohimban-16 beta-(N-4-azido-3-[ 125 I]iodophenyl) carboxamide ( 125 I-rau-AZPC). In a partially purified receptor preparation from porcine brain, this compound photolabels a major (Mr = 62,000) peptide. The labeling of this peptide is inhibited by adrenergic agonists and antagonists with a rank order of potency consistent with an alpha 2-adrenergic receptor binding site. Both 125 I-rau-AMPC and the photolabile arylazide derivative, 125 I-rau-AZPC, should prove useful as molecular probes for the structural and biochemical characterization of alpha 2-adrenergic receptors

  4. Towards Antihydrogen Confinement with the ALPHA Antihydrogen Trap

    CERN Document Server

    Fujiwara, M.C.; Bertsche, W.; Boston, A.; Bowe, P.D.; Cesar, C.L.; Chapman, S.; Charlton, M.; Chartier, M.; Deutsch, A.; Fajans, J.; Funakoshi, R.; Gill, D.R.; Gomberoff, K.; Hangst, J.S.; Hardy, W.N.; Hayano, R.S.; Hydomako, R.; Jenkins, M.J.; Jorgensen, L.V.; Kurchaninov, L.; Madsen, N.; Nolan, P.; Olchanski, K.; Olin, A.; Page, R.D.; Povilus, A.; Robicheaux, F.; Sarid, E.; Silveira, D.M.; Storey, J.W.; Thompson, R.I.; van der Werf, D.P.; Wurtele, J.S.; Yamazaki, Y.

    2006-01-01

    ALPHA is an international project that has recently begun experimentation at CERN's Antiproton Decelerator (AD) facility. The primary goal of ALPHA is stable trapping of cold antihydrogen atoms with the ultimate goal of precise spectroscopic comparisons with hydrogen. We discuss the status of the ALPHA project and the prospects for antihydrogen trapping.

  5. 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.

  6. 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

  7. 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

  8. Silicon vertex detector upgrade in the ALPHA experiment

    CERN Document Server

    Amole, C; Ashkezari, M.D; Baquero-Ruiz, M; Bertsche, W; Burrows, C; Butler, E; Capra, A; Cesar, C.L; Chapman, S; Charlton, M; Deller, A; Eriksson, S; Fajans, J; Friesen, T; Fujiwara, M.C; Gill, D.R; Gutierrez, A; Hangst, J.S; Hardy, W.N; Hayden, M.E; Humphries, A.J; Isaac, C.A; Jonsell, S; Kurchaninov, L; Little, A; Madsen, N; McKenna, J.T.K; Menary, S; Napoli, S.C; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Pusa, P; Rasmussen, C.Ø; Robicheaux, F; Sacramento, R.L; Sampson, J.A; Sarid, E; Seddon, D; Silveira, D.M; So, C; Stracka, S; Tharp, T; Thompson, R.I; Thornhill, J; Tooley, M.P; Van Der Werf, D.P; Wells, D

    2013-01-01

    The Silicon Vertex Detector (SVD) is the main diagnostic tool in the ALPHA-experiment. It provides precise spatial and timing information of antiproton (antihydrogen) annihilation events (vertices), and most importantly, the SVD is capable of directly identifying and analysing single annihilation events, thereby forming the basis of ALPHA ' s analysis. This paper describes the ALPHA SVD and its upgrade, installed in the ALPHA ' s new neutral atom trap.

  9. Silicon vertex detector upgrade in the ALPHA experiment

    Energy Technology Data Exchange (ETDEWEB)

    Amole, C. [Department of Physics and Astronomy, York University, Toronto, ON, M3J 1P3 (Canada); Andresen, G.B. [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Ashkezari, M.D. [Department of Physics, Simon Fraser University, Burnaby, BC, V5A 1S6 (Canada); Baquero-Ruiz, M. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Bertsche, W. [School of Physics and Astronomy, University of Manchester, M13 9PL Manchester (United Kingdom); The Cockcroft Institute, Daresbury Laboratory, WA4 4AD Warrington (United Kingdom); Burrows, C. [Department of Physics, College of Science, Swansea University, Swansea SA2 8PP (United Kingdom); Butler, E. [Physics Department, CERN, CH-1211 Geneva 23 (Switzerland); Capra, A. [Department of Physics and Astronomy, York University, Toronto, ON, M3J 1P3 (Canada); Cesar, C.L. [Instituto de Física, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-972 (Brazil); Chapman, S. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Charlton, M.; Deller, A.; Eriksson, S. [Department of Physics, College of Science, Swansea University, Swansea SA2 8PP (United Kingdom); Fajans, J. [Department of Physics, University of California at Berkeley, Berkeley, CA 94720-7300 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Friesen, T. [Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4 (Canada); Fujiwara, M.C. [Department of Physics and Astronomy, University of Calgary, Calgary, Alberta T2N 1N4 (Canada); TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Gill, D.R. [TRIUMF, 4004 Wesbrook Mall, Vancouver, BC, V6T 2A3 (Canada); Gutierrez, A. [Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, V6T 1Z4 (Canada); and others

    2013-12-21

    The Silicon Vertex Detector (SVD) is the main diagnostic tool in the ALPHA-experiment. It provides precise spatial and timing information of antiproton (antihydrogen) annihilation events (vertices), and most importantly, the SVD is capable of directly identifying and analysing single annihilation events, thereby forming the basis of ALPHA's analysis. This paper describes the ALPHA SVD and its upgrade, installed in the ALPHA's new neutral atom trap.

  10. 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.

  11. Orientational relationships between phases in the {gamma}{yields}{alpha} transformations for uranium-molybdenum alloys; Relations d'orientation entre phases dans les transformations {gamma}{yields}{alpha} des alliages uranium-molybdene

    Energy Technology Data Exchange (ETDEWEB)

    Brun, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1966-04-01

    A crystallographic study has been made of the {gamma} {yields} {alpha} + {gamma} transformation in the alloy containing 3 per cent by weight of molybdenum using electronic micro-diffraction; it has been possible to establish the orientational relationships governing the germination of the {alpha} phase in the {gamma} phase. One finds: (111){gamma} // (100) {alpha}, (112-bar){gamma} // (010) {alpha}, (11-bar 0){gamma} // (001){alpha}. By choosing a monoclinic lattice containing the same number of atoms as the orthorhombic lattice for defining the {gamma} mother phase, the change in structure has been explained by adding a homogeneous (112-bar){gamma} [111]{gamma} shearing deformation to a heterogeneous deformation brought about by slipping of the atoms which are not situated at the nodes of this lattice. The identity of the orientation relationships {gamma}/{alpha} and {gamma}/{alpha}''b and the loss of coherence {gamma} /{alpha} as a function of temperature or of time lead to the conclusion that, in the range studied, the {gamma} {yields} {alpha} transformation begins with a martensitic process and continues by germination and growth. (author) [French] Une etude cristallographique de la transformation {gamma} {yields} {alpha} + {gamma} dans l'alliage {alpha} 3 pour cent en poids de Mo, effectuee par microdiffraction electronique a permis d'etablir les relations d'orientation regissant la germination de {alpha} dans {gamma}. On a: (111){gamma} // (100){alpha}, (112-bar){gamma} // (010){alpha}, (11-bar 0){gamma} // (001){alpha}. En choisissant pour decrire la phase mere {gamma} une maille monoclinique contenant le meme nombre d'atomes que la maille orthorhombique {alpha}, le changement de structure a ete explique en superposant a une deformation homogene par cisaillement (112-bar){gamma} [111]{gamma} une deformation heterogene par glissement des atomes non situes aux noeuds de cette maille. L identite des relations d'orientation {gamma}/{alpha} et {gamma} /{alpha

  12. Development of thermal conditioning technology for Alpha-containment wastes: Alpha-contaminated waste incineration technology

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Joon Hyung; Kim, Jeong Guk; Yang, Hee Chul; Choi, Byung Seon; Jeong, Myeong Soo

    1999-03-01

    As the first step of a 3-year project named 'development of alpha-contaminated waste incineration technology', the basic information and data were reviewed, while focusing on establishment of R and D direction to develop the final goal, self-supporting treatment of {alpha}- wastes that would be generated from domestic nuclear industries. The status on {alpha} waste incineration technology of advanced states was reviewed. A conceptual design for {alpha} waste incineration process was suggested. Besides, removal characteristics of volatile metals and radionuclides in a low-temperature dry off-gas system were investigated. Radiation dose assessments and some modification for the Demonstration-scale Incineration Plant (DSIP) at Korea Atomic Energy Research Institute (KAERI) were also done.

  13. 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

  14. Sterol synthesis. A novel reductive rearrangement of an alpha,beta-unsaturated steroidal epoxide; a new chemical synthesis of 5alpha-cholest-8(14)-en-3beta, 15alpha-diol.

    Science.gov (United States)

    Parish, E J; Schroepfer, G J

    1977-04-01

    Reduction of 3beta-benzoyloxy-14alpha,15alpha-epoxy-5alpha-cholest-7-ene with either lithium triethylboro-hydride or lithium aluminum hydride (4 molar excess) gave 5-alpha-cholest-8(14)-en-3beta,15alpha-diol in high yield. Reduction of the epoxy ester with lithium triethylborodeuteride or lithium aluminum deuteride (4 molar excess) gave [7alpha-2-H]-5alpha-cholest-8(14)-en-3beta,15alpha-diol. Reduction of 2beta-benzoyloxy-14alpha,15alpha-epoxy-5alpha-cholest-7-ene with a large excess (24 molar excess) of lithium aluminum hydride gave, in addition to the expected 5alpha-cholest-8(14)-en-3beta,15alpha-diol, a significant yield (33%) of 5alpha-cholest-8(14)-en-3beta-o1. Reduction of the epoxy ester with a large excess (24 molar excess) of lithium aluminum deuteride gave [7alpha-2H]-5alpha-cholest-8(14)-en-3beta,15alpha-diol and 5alpha-cholest-8(14)-en-3beta-o1 which contained two atoms of stably bound deuterium.

  15. 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

  16. 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.

  17. alpha-Ketoglutarate application in hemodialysis patients improves amino acid metabolism.

    Science.gov (United States)

    Riedel, E; Nündel, M; Hampl, H

    1996-01-01

    In hemodialysis patients, free amino acids and alpha-ketoacids in plasma were determined by fluorescence HPLC to assess the effect of alpha-ketoglutarate administration in combination with the phosphate binder calcium carbonate on the amino acid metabolism. During 1 year of therapy in parallel to inorganic phosphate, urea in plasma decreased significantly, histidine, arginine and proline as well as branched chain alpha-ketoacids, in particular alpha-ketoisocaproate, a regulator of protein metabolism, increased. Thus, administration of alpha-ketoglutarate with calcium carbonate effectively improves amino acid metabolism in hemodialysis patients as it decreases hyperphosphatemia.

  18. 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.

  19. Expression of alpha-amylase in Bacillus licheniformis.

    OpenAIRE

    Rothstein, D M; Devlin, P E; Cate, R L

    1986-01-01

    In Bacillus licheniformis, alpha-amylase production varied more than 100-fold depending on the presence or absence of a catabolite-repressing carbon source in the growth medium. alpha-Amylase was produced during the growth phase and not at the onset of the stationary phase. Induction of alpha-amylase correlated with synthesis of mRNA initiating at the promoter of the alpha-amylase gene.

  20. 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.

  1. Alpha Antihydrogen Experiment

    CERN Document Server

    Fujiwara, M C; Ashkezari, M D; Baquero-Ruiz, M; Bertsche, W; Bray, C C; Butler, E; Cesar, C L; Chapman, S; Charlton, M; Cesar, C L; Fajans, J; Friesen, T; Gill, D R; Hangst, J S; Hardy, W N; Hayano, R S; Hayden, M E; Humphries, A J; Hydomako, R; Jonsell, S; Kurchaninov, L; Lambo, R; Madsen, N; Menary, S; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Pusa, P; Robicheaux, F; Sarid, E; Silveira, D M; So, C; Storey, J W; Thompson, R I; van der Werf, D P; Wilding, D; Wurtele, J S; Yamazaki, Y

    2011-01-01

    ALPHA is an experiment at CERN, whose ultimate goal is to perform a precise test of CPT symmetry with trapped antihydrogen atoms. After reviewing the motivations, we discuss our recent progress toward the initial goal of stable trapping of antihydrogen, with some emphasis on particle detection techniques.

  2. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel alpha-phenylazo- and alpha-phenylhydrazono-beta-ketosulfones.

    Science.gov (United States)

    Wolf , W M

    2001-02-01

    The crystal and molecular structures of four novel beta-ketosulfones, phenyl benzoyl(phenylhydrazono)methyl sulfone (I), phenyl benzoyl(4-nitrophenylhydrazono)methyl sulfone (II), (benzoyl)(phenyl)(phenylazo)methyl phenyl sulfone (III) and (benzoyl)(phenyl)(3-chlorophenylazo)methyl 4-tolyl sulfone (IV), have been investigated using X-ray analysis and density functional theory supplemented by ab initio Hartree-Fock calculations. The conformations of (I) and (II) are stabilized by strong intramolecular resonance-assisted hydrogen bonds formed between the sulfonyl and the alpha-hydrazono moieties. The following increase of a positive charge on the S atoms is compensated via pi-conjugation and stereoelectronic back-donation from the nearby beta-carbonyl group. Compounds (III) and (IV) adopt a strongly distorted propeller shape with pivotal tetrahedral C1 atoms. Distortion mostly follows from the approximate coplanarity of the alpha-azophenyl and alpha-phenyl moieties opposite each other. The main stereoelectronic interactions involve the donation of electron density from the alpha-azo N2 towards the sulfonyl S and the beta-carbonyl C2 atoms.

  3. 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.

  4. 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.

  5. Bloch oscillations of ultracold atoms and measurement of the fine structure constant; Oscillations de Bloch d'atomes ultrafroids et mesure de la constante de structure fine

    Energy Technology Data Exchange (ETDEWEB)

    Clade, P

    2005-10-15

    From a measurement of the recoil velocity of an atom absorbing a photon, it is possible to deduce a determination of the ratio h/m between the Planck constant and the mass of the atoms and then to deduce a value of the fine structure constant alpha. To do this measurement, we use the technique of Bloch oscillations, which allows us to transfer a large number of recoils to atoms. A velocity sensor, based on velocity selective Raman transition, enables us to measure the momentum transferred to the atoms. A measurement with a statistical uncertainty of 4.4 10{sup -9}, in conjunction with a careful study of systematic effects (5 10{sup -9}), has led us to a determination of alpha with an uncertainty of 6.7 10{sup -9}: {alpha}{sup -1}(Rb) = 137.03599878 (91). This uncertainty is similar to the uncertainty of the best determinations of alpha based on atom interferometry. (author)

  6. Microbial degradation of alpha-cypermethrin in soil by compound-specific stable isotope analysis

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zemin [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Shen, Xiaoli [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Department of Environmental Engineering, Quzhou University, Quzhou 324000 (China); Zhang, Xi-Chang [Laboratory for Teaching in Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Liu, Weiping [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Yang, Fangxing, E-mail: fxyang@zju.edu.cn [MOE Key Laboratory of Environmental Remediation and Ecosystem Health, College of Environmental and Resource Sciences, Zhejiang University, Hangzhou 310058 (China); Department of Effect-Directed Analysis, Helmholtz Center for Environmental Research – UFZ, Leipzig 04318 (Germany)

    2015-09-15

    Highlights: • Alpha-cypermethrin (α-CP) can be degraded by microorganisms in soil. • Biodegradation of α-CP resulted in carbon isotope fractionation. • A relationship was found between carbon isotope ratios and concentrations of α-CP. • An enrichment factor ϵ of α-CP was determined as −1.87‰. • CSIA is applicable to assess biodegradation of α-CP. - Abstract: To assess microbial degradation of alpha-cypermethrin in soil, attenuation of alpha-cypermethrin was investigated by compound-specific stable isotope analysis. The variations of the residual concentrations and stable carbon isotope ratios of alpha-cypermethrin were detected in unsterilized and sterilized soils spiked with alpha-cypermethrin. After an 80 days’ incubation, the concentrations of alpha-cypermethrin decreased to 0.47 and 3.41 mg/kg in the unsterilized soils spiked with 2 and 10 mg/kg, while those decreased to 1.43 and 6.61 mg/kg in the sterilized soils. Meanwhile, the carbon isotope ratios shifted to −29.14 ± 0.22‰ and −29.86 ± 0.33‰ in the unsterilized soils spiked with 2 and 10 mg/kg, respectively. The results revealed that microbial degradation contributed to the attenuation of alpha-cypermethrin and induced the carbon isotope fractionation. In order to quantitatively assess microbial degradation, a relationship between carbon isotope ratios and residual concentrations of alpha-cypermethrin was established according to Rayleigh equation. An enrichment factor, ϵ = −1.87‰ was obtained, which can be employed to assess microbial degradation of alpha-cypermethrin. The significant carbon isotope fractionation during microbial degradation suggests that CSIA is a proper approach to qualitatively detect and quantitatively assess the biodegradation during attenuation process of alpha-cypermethrin in the field.

  7. 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.

  8. Anchoring alpha-manganese oxide nanocrystallites on multi-walled carbon nanotubes as electrode materials for supercapacitor

    Energy Technology Data Exchange (ETDEWEB)

    Li Li; Qin Zongyi, E-mail: phqin@dhu.edu.cn; Wang Lingfeng; Liu Hongjin; Zhu Meifang [Donghua University, State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, College of Materials Science and Engineering (China)

    2010-09-15

    The partial coverage of manganese oxide (MnO{sub 2}) particles was achieved on the surfaces of multi-walled carbon nanotubes (MWCNTs) through a facile hydrothermal process. These particles were demonstrated to be alpha-manganese dioxide ({alpha}-MnO{sub 2}) nanocrystallites, and exhibited the appearance of the whisker-shaped crystals with the length of 80-100 nm. In such a configuration, the uncovered CNTs in the nanocomposite acted as a good conductive pathway and the whisker-shaped MnO{sub 2} nanocrystallites efficiently increased the contact of the electrolyte with the active materials. Thus, the highest specific capacitance of 550 F g{sup -1} was achieved using the resulting nanocomposites as the supercapacitor electrode. In addition, the enhancement of the capacity retention was observed, with the nanocomposite losing only 10% of the maximum capacity after 1,500 cycles.

  9. Fractionation of whey protein isolate with supercritical carbon dioxide to produce enriched alpha-lactalbumin and beta-lactoglobulin food ingredients

    Science.gov (United States)

    A potentially economical and environmentally friendly whey protein fractionation process was developed using supercritical carbon dioxide (SCO2) as an acid to produce enriched fractions of alpha-lactalbumin (a-LA) and beta-lactoglobulin (b-LG) from whey protein isolate. To prepare the fractions, so...

  10. Atomic level simulations of interaction between edge dislocations and irradiation induced ellipsoidal voids in alpha-iron

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Bida [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Huang, Minsheng, E-mail: mshuang@hust.edu.cn [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Hubei Key Laboratory of Engineering Structural Analysis and Safety Assessment, Luoyu Road 1037, Wuhan 430074 (China); Li, Zhenhuan [Department of Mechanics, Huazhong University of Science and Technology, Wuhan 430074 (China); Hubei Key Laboratory of Engineering Structural Analysis and Safety Assessment, Luoyu Road 1037, Wuhan 430074 (China)

    2017-04-15

    High concentrations of vacancies tend to be formed inside the metal materials under irradiation, and then accumulate and cluster together gradually to promote the formation of nanovoids. Generally, these voids act as obstacles for dislocation glide and thereby change/degrade the mechanical behavior of irradiated materials. In this work, the interaction between ellipsoidal nanovoids with edge dislocations in alpha-iron has been studied by atomic simulations. The results illuminate that the ellipsoidal void’s semi-major axis on the slip plane and parallel to the dislocation line is the dominant factor controlling the obstacle strength of ellipsoidal nanovoids. Two other semi-major axes, which are perpendicular to the glide plane and parallel to the Burgers vector, respectively, can also influence the critical resolved shear stress (CRSS) for dislocation shearing the ellipsoidal void. The intrinsic atomic mechanisms controlling above phenomena, such as nanovoid-geometry spatial constraint and nanovoid-surface curvature on dislocation evolution, have been discussed carefully. The classical continuum model has been amended to describe the dislocation-ellipsoidal nanovoid interaction base on current results. In addition, the influence of temperature on the CRSS of ellipsoidal nanovoids has also been investigated.

  11. Dynamical chaos in a linear 3. alpha. system. Dinamicheskij khaos v linejnoj 3. alpha. -sisteme

    Energy Technology Data Exchange (ETDEWEB)

    Bolotin, Yu L; Gonchar, V Yu; Chekanov, N A [AN Ukrainskoj SSR, Kharkov (Ukrainian SSR). Fiziko-Tekhnicheskij Inst.; Vinitskij, S I [Joint Inst. for Nuclear Research, Dubna (USSR)

    1989-01-01

    Classical dynamics of the motion of a molecular model of the carbon nucleus, which is a linear 3{alpha} system with realistic {alpha}{alpha} interaction is studied. Transition from a regular to a chaos motion in the nuclear molecule is shown to occur with growing energy more rapidly than in model problems with polynomial potentials. It is found that in a small region of the phase space the motion remains regular at energies higher than the 3{alpha}-system dissociation threshold. This is probably related to the C{sub 3v}-symmetry violation. Formulas for the quasiclassical spectrum of the 3{alpha} system are obtained with the use of the Birkhoff normal form.

  12. Removal of an endocrine disrupting chemical (17 alpha-ethinyloestradiol) from wastewater effluent by activated carbon adsorption: Effects of activated carbon type and competitive adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Ifelebuegu, A.O.; Lester, J.N.; Churchley, J.; Cartmell, E. [Cranfield University, Cranfield (United Kingdom). School of Water Science

    2006-12-15

    Granular activated carbon has been extensively used for the adsorption of organic micropollutants for potable water production. In this study the removal of an endocrine disrupting chemical from wastewater final effluent by three types of granular activated carbon (wood, coconut and coal based) has been investigated in batch adsorption experiments and correlated with the removal of chemical oxygen demand (COD), total organic carbon (TOC) and ultraviolet absorbance (UV). The results obtained demonstrated 17 alpha-ethinyloestradiol (EE2) removals of 98.6%, 99.3%, and 96.4% were achieved by the coal based (ACo), coconut based (ACn) and wood based (AWd) carbons respectively at the lowest dose of carbon (0.1 gl{sup -1}). The other adsorbates investigated all exhibited good removal. At an equilibrium concentration of 7 mgl{sup -1} the COD adsorption capacities were 3.16 mg g{sup -1}, 4.8 mg g{sup -1} and 7.1 mg g{sup -1} for the wood, coconut and coal based carbons respectively. Overall, the order of removal efficiency of EE2 and the other adsorbates for the three activated carbons was ACn {gt} ACo {gt} AWd. The adsorption capacities of the carbons were found to be reduced by the effects of other competing adsorbates in the wastewater effluent.

  13. 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

  14. Single particle inclusive spectra resulting from the collision of relativistic protons, deuterons, alpha particles, and carbon ions with nuclei

    International Nuclear Information System (INIS)

    Papp, J.

    1975-05-01

    The yields of positive and negative particles resulting from the collision of 1.05 GeV/nucleon and 2.1 GeV/nucleon protons, deuterons, alpha particles, and 1.05 GeV/nucleon carbon nuclei with various targets have been measured. Single particle inclusive cross sections for production of π + , π - , p, d, 3 H, 3 He, and 4 He at 2.5 0 (lab) were obtained. How the results bear on the concepts of limiting fragmentation and scaling, the structure of the alpha particle and deuteron, and the possibility of ''coherent'' production of pions by heavy ions are discussed. (U.S.)

  15. 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.

  16. X. cap alpha. method with pseudopotentials

    Energy Technology Data Exchange (ETDEWEB)

    Szasz, L. (Fordham Univ., New York (USA). Dept. of Physics)

    1980-06-01

    The X..cap alpha.. method for an atom or molecule is transformed into an all-electron pseudopotential formalism. The equations of the X..cap alpha.. method are exactly transformed into pseudo-orbital equations and the resulting pseudopotentials are replaced by simple density-dependent potentials derived from Thomas-Fermi model. It is shown that the new formalism satisfies the virial theorem. As the first application, it is shown that the model explains the shell-structure of atoms by the property that the pseudo-orbitals for the (ns), (np), (nd), etc. electrons are, in a very good approximation, the solutions of the same equation and have their maxima at the same point thereby creating the peaks in the radial density characterizing the shell structure.

  17. Electron capture by alpha particles from helium atoms in a Coulomb-Born distorted-wave approximation

    International Nuclear Information System (INIS)

    Ghanbari-Adivi, E; Ghavaminia, H

    2012-01-01

    A three-body Coulomb-Born continuum distorted-wave approximation is applied to calculate the differential and total cross sections for single-electron exchange in the collision of fast alpha particles with helium atoms in their ground states. The applied first-order distorted wave theory satisfies correct Coulomb boundary conditions. Both post and prior forms of the transition amplitude are calculated. The nuclear-screening effect of the passive electron on the differential and total cross sections is investigated. The results are compared with those of other theories and with the available experimental data. For differential cross sections, the comparisons show a reasonable agreement with empirical measurements at higher impact energies. The agreement between experimental data and the present calculations for total cross sections with the average of the post and prior forms of the transition amplitude is reasonable at all the specified energies.

  18. Oxygen depth profiling in Kr{sup +}-implanted polycrystalline alpha titanium by means of {sup 16}O({alpha},{alpha}){sup 16}O resonance scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nsengiyumva, S., E-mail: schadnse@hotmail.com [Department of Physics, University of Cape Town, Rondebosch 7701 (South Africa); Department of Physics and Electronics, Rhodes University, Grahamstown 6140 (South Africa); Department of Physics, Kigali Institute of Education, P.O. Box 5039 Kigali (Rwanda); Riviere, J.P. [Laboratoire de Physique des Materiaux UMR6630-CNRS, 86960 (France); Raji, A.T.; Comrie, C.M.; Britton, D.T.; Haerting, M. [Department of Physics, University of Cape Town, Rondebosch 7701 (South Africa)

    2011-07-15

    The {sup 16}O({alpha},{alpha}){sup 16}O resonance scattering was applied to study the effects of ion implantation on the oxygen distribution in the near surface region of polycrystalline titanium implanted with 180 keV krypton ions at fluences, ranging between 1 x 10{sup 14} and 5 x 10{sup 15} Kr{sup +}/cm{sup 2}. Two sample sets were chosen: as-received polycrystalline titanium discs rolled and annealed in half-hard condition which had a thick oxygen layer and similar samples in which this surface layer was removed by polishing. An increase of the mean oxygen concentration observed in both unpolished and polished samples at low fluence suggests a knock-on implantation of surface oxygen atoms. At high fluence, an overall decrease in the mean oxygen concentration and mean oxygen depth suggests an out-diffusion of near-surface oxygen atoms.

  19. 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.

  20. Laboratory investigations of the alpha-pinene/ozone gas-phase reaction

    International Nuclear Information System (INIS)

    Benner, C.L.

    1985-01-01

    In order to provide more insight into terpene photooxidation or ozonolysis reaction mechanisms, a radiotracer technique was developed. This technique was applied to an investigation of the 14 C-alpha-pinene/ozone reaction. In the first phase of the research, the carbon distribution at the conclusion of the ozonolysis reaction was determined by separating carbon-14-labelled gaseous products from labelled aerosols, and counting each phase by liquid scintillation methods. The resulting carbon balance was 38% to 60% filtered aerosols, 6% to 20% gas phase compounds, and 11% to 29% products absorbed on the reaction chamber walls. Recoveries of the alpha-pinene carbon-14 ranging from 79% to 97% were achieved using this method. The alpha-pinene concentrations in these experiments were close to ambient (1 part per billion), yet the carbon balance was similar to that observed at much higher concentrations (>1 part per million). In the second phase of the alpha-pinene study, both gas and aerosol products of the ozonolysis reaction were collected on cartridges impregnated with 2,4-dinitrophenylhydrazine, then analyzed by HPLC. In the final experiments, alpha-pinene aerosol was reacted with a silylating agent to improve the detection of organic acids and alcohols. The gas chromatographic/mass spectrometric analysis of the silylated aerosol products showed evidence of dimer/polymer formation occurring in the ozonolysis reaction

  1. 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

  2. Prospects for comparison of matter and antimatter gravitation with ALPHA-g

    Science.gov (United States)

    Bertsche, W. A.

    2018-03-01

    The ALPHA experiment has recently entered an expansion phase of its experimental programme, driven in part by the expected benefits of conducting experiments in the framework of the new AD + ELENA antiproton facility at CERN. With antihydrogen trapping now a routine operation in the ALPHA experiment, the collaboration is leading progress towards precision atomic measurements on trapped antihydrogen atoms, with the first excitation of the 1S-2S transition and the first measurement of the antihydrogen hyperfine spectrum (Ahmadi et al. 2017 Nature 541, 506-510 (doi:10.1038/nature21040); Nature 548, 66-69 (doi:10.1038/nature23446)). We are building on these successes to extend our physics programme to include a measurement of antimatter gravitation. We plan to expand a proof-of-principle method (Amole et al. 2013 Nat. Commun. 4, 1785 (doi:10.1038/ncomms2787)), first demonstrated in the original ALPHA apparatus, and perform a precise measurement of antimatter gravitational acceleration with the aim of achieving a test of the weak equivalence principle at the 1% level. The design of this apparatus has drawn from a growing body of experience on the simulation and verification of antihydrogen orbits confined within magnetic-minimum atom traps. The new experiment, ALPHA-g, will be an additional atom-trapping apparatus located at the ALPHA experiment with the intention of measuring antihydrogen gravitation. This article is part of the Theo Murphy meeting issue 'Antiproton physics in the ELENA era'.

  3. Prospects for comparison of matter and antimatter gravitation with ALPHA-g.

    Science.gov (United States)

    Bertsche, W A

    2018-03-28

    The ALPHA experiment has recently entered an expansion phase of its experimental programme, driven in part by the expected benefits of conducting experiments in the framework of the new AD + ELENA antiproton facility at CERN. With antihydrogen trapping now a routine operation in the ALPHA experiment, the collaboration is leading progress towards precision atomic measurements on trapped antihydrogen atoms, with the first excitation of the 1S-2S transition and the first measurement of the antihydrogen hyperfine spectrum (Ahmadi et al. 2017 Nature 541 , 506-510 (doi:10.1038/nature21040); Nature 548 , 66-69 (doi:10.1038/nature23446)). We are building on these successes to extend our physics programme to include a measurement of antimatter gravitation. We plan to expand a proof-of-principle method (Amole et al. 2013 Nat. Commun. 4 , 1785 (doi:10.1038/ncomms2787)), first demonstrated in the original ALPHA apparatus, and perform a precise measurement of antimatter gravitational acceleration with the aim of achieving a test of the weak equivalence principle at the 1% level. The design of this apparatus has drawn from a growing body of experience on the simulation and verification of antihydrogen orbits confined within magnetic-minimum atom traps. The new experiment, ALPHA-g, will be an additional atom-trapping apparatus located at the ALPHA experiment with the intention of measuring antihydrogen gravitation.This article is part of the Theo Murphy meeting issue 'Antiproton physics in the ELENA era'. © 2018 The Authors.

  4. Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in {alpha}-iron

    Energy Technology Data Exchange (ETDEWEB)

    Veiga, R.G.A., E-mail: rgaveiga@gmail.com [Universite de Lyon, INSA Lyon, Laboratoire MATEIS, UMR CNRS 5510, 25 Avenue Jean Capelle, F69621, Villeurbanne (France); Perez, M. [Universite de Lyon, INSA Lyon, Laboratoire MATEIS, UMR CNRS 5510, 25 Avenue Jean Capelle, F69621, Villeurbanne (France); Becquart, C.S. [Unite Materiaux et Transformations (UMET), Ecole Nationale Superieure de Chimie de Lille, UMR CNRS 8207, Bat. C6, F59655 Villeneuve d' Ascq Cedex (France); Laboratoire commun EDF-CNRS Etude et Modelisation des Microstructures pour le Vieillissement des Materiaux (EM2VM) (France); Clouet, E. [Service de Recherches de Metallurgie Physique, CEA/Saclay, 91191 Gif-sur-Yvette (France); Domain, C. [EDF, Recherche et Developpement, Materiaux et Mecanique des Composants, Les Renardieres, F77250 Moret sur Loing (France); Laboratoire commun EDF-CNRS Etude et Modelisation des Microstructures pour le Vieillissement des Materiaux (EM2VM) (France)

    2011-10-15

    Energy barriers for carbon migration in the neighborhood of line defects in body-centered cubic iron have been obtained by atomistic simulations. For this purpose, molecular statics with an Fe-C interatomic potential, based on the embedded atom method, has been employed. Results of these simulations have been compared to the predictions of anisotropic elasticity theory. The agreement is better for a carbon atom sitting on an octahedral site (energy minimum) than one on a tetrahedral site (saddle point). Absolute differences in the energy barriers obtained by the two methods are usually below 5 meV at distances larger than 1.5 nm from a screw dislocation and 2 nm (up to 4 nm in the glide plane) from the edge dislocation. Atomistic kinetic Monte Carlo simulations performed at T = 300 K and additional analysis based on the activation energies obtained by both methods show that they are in good qualitative agreement, despite some important quantitative discrepancies due to the large absolute errors found near the dislocation cores.

  5. 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.

  6. ALPHA experiment facility and Prof. Jeffrey Hangst.

    CERN Multimedia

    Maximilien Brice

    2010-01-01

    Picture 01-07: General views of the ALPHA experiment Picture 5: Andrea Gutierrez, a PhD student from UBC, transfers liquid helium from a storage dewar into the cryostat containing the superconducting magnetic trap used by the ALPHA experiment.Picture 08-11: Jeffery Hangst, spokesperson for ALPHA Picture 12: The ALPHA silicon detector, which surrounds the trapping resion and is used for imaging antiproton annihilations (Credit University of Liverpool) Picture 13: Untrapped antihydrogen atoms annihilating on the inner surface of the ALPHA trap. These are measured by the ALPHA annihilation detector. The events are concentrated at the electrode radius of about 22.3 mm. The coordinates are defined in the Nature article, Figure 1b. Picture 14: The electrodes (gold) for the ALPHA Penning trap being inserted into the vacuum chamber and cryostat assembly. This is the trap used to combine or "mix" positrons and antiprotons to make antihydrogen. (Credit: Niels Madsen ALPHA/Swansea.) Picture 15: Top, a diagram of the...

  7. Study of total ionization by {alpha} particles, in pure gases and gaseous mixtures containing metastable atoms, as a function of temperature; Etude de l'ionisation totale par les paricules {alpha}, dans les gaz purs et les melanges gazeux contenant des atomes metastables, en fonction de la temperature

    Energy Technology Data Exchange (ETDEWEB)

    Bristeau, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    Experiments have been carried out on the total ionization by alpha particles, in pure gases and gaseous mixtures containing metastable atoms, as a function of temperature. Using a different experimental method, the results for the mean ionization energy at 300 K given by Jesse in 1953 have been confirmed to within 1 per cent. It is established that in pure gases the mean energy W required to form a pair of ions remains constant as the temperature varies from 77 to 300 K. It is shown that there is a temperature effect for W in binary gas mixtures of the type A-B containing meta-stable atoms A{sup *} and an 'impurity' B. A systematic study is made of the change {delta}W in W as a function of the temperature and of the B 'impurity' concentration in the mixtures Ne - Ar, Ne - Kr, Ne - H{sub 2}, Ne - N{sub 2}, Ne - CH{sub 4} and He - Ar. Experiments have been carried out on a ternary gas mixture of the type A - B - C, where C is a second ionizable 'impurity' added to the binary mixture A - B; they show the existence of excited atoms B{sup *} formed from the 'impurity' B. Finally, it is shown that the amount of metastable atoms formed in a pure gas must be very close to the number N{sub 0} of ion pairs, and that there must exist a correlation between the number N{sub 0} of ion pairs and the number {approx_equal} N{sub 0} of metastable atoms created in the pure rare gases. (author) [French] On realise des experiences sur l'ionisation totale par les particules alpha, dans les gaz purs et les melanges gazeux contenant des atomes metastables, en fonction de la temperature. Avec une methode experimentale differente, on retrouve a mieux que 1 pour cent pres les valeurs de l'energie moyenne d'ionisation que JESSE a obtenues en 1953 et a 300 K. On etablit que dans les gaz purs, l'energie moyenne W pour creer une paire d'ions demeure constante, quand la temperature varie entre 77 et 300 K. On met en evidence un effet de temperature sur W, dans les melanges gazeux binaires du type

  8. 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.

  9. The ALPHA detector : Module Production and Assembly

    CERN Document Server

    Andresen, G; Bowe, P D; Cesar, C L; Chapman, S; Charlton, M; Fajans, J; Fujiwara, M C; Gill, D R; Hangst, J S; Hydomako, R; Jenkins, M J; Kurchaninov, L; Madsen, N; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Robicheaux, F; Sarid, E; Silveira, D M; Storey, J W; Thompson, R I; van der Werf, D P; Wurtele, J S; Yamazaki, Y; Ashkezari, M D; Baquero-Ruiz, M; Butler, E; Deller, A; Eriksson, S; Friesen, T; Gutierrez, A; Hardy, W N; Hayden, M E; Humphries, A J; Jonsell, S; McKenna, J T K; Menary, S; Pusa, P; Sampson, J; Seddon, D; Seif el Nasr, S; So, C; Thornhill, J; Wells, D; Jorgensen, L V

    2012-01-01

    ALPHA is one of the experiments situated at CERN's Antiproton Decelerator (AD). A Silicon Vertex Detector (SVD) is placed to surround the ALPHA atom trap. The main purpose of the SVD is to detect and locate antiproton annihilation events by means of the emitted charged pions. The SVD system is presented with special focus given to the design, fabrication and performance of the modules.

  10. 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...

  11. A=225 implantation for $^{221}$Fr source for TRIUMF atom trap

    CERN Multimedia

    The FrPNC Collaboration is mounting an atom trap for parity violation experiments and precision spectroscopy on francium atoms at TRIUMF's ISAC facility. We would like to use ISOLDE's capability of simultaneously implanting A=225 (while another experiment runs online) to make a long-lived source feeding $^{221}$Fr for tests of the trap. $^{225}$Ra $\\beta$-decays to $^{225}$Ac, which then $\\alpha$-decays, producing 100 keV $^{221}$Fr t$_{1/2}$= 4.8 minute recoils. The implanted A=225 source would be shipped to TRIUMF, where it would be held for several minutes at a time a few mm from the same yttrium foil that normally receives the ISAC beam. SRIM calculations imply that 20% of the $^{221}$Fr will be implanted in a 1 cm diameter spot on the yttrium. Then the yttrium foil is moved to the trap and heated to release the Fr atoms, just as in normal ISAC online operation. A test implantation will be done at 10$^{7}$/sec production for 1 day, testing whether carbon cracking on the implantation foil in the mass separ...

  12. 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.

  13. 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

  14. Enhanced diffusion under alpha self-irradiation in spent nuclear fuel: Theoretical approaches

    International Nuclear Information System (INIS)

    Ferry, Cecile; Lovera, Patrick; Poinssot, Christophe; Garcia, Philippe

    2005-01-01

    Various theoretical approaches have been developed in order to estimate the enhanced diffusion coefficient of fission products under alpha self-irradiation in spent nuclear fuel. These simplified models calculate the effects of alpha particles and recoil atoms on mobility of uranium atoms in UO 2 . They lead to a diffusion coefficient which is proportional to the volume alpha activity with a proportionality factor of about 10 -44 (m 5 ). However, the same models applied for fission lead to a radiation-enhanced diffusion coefficient which is approximately two orders of magnitude lower than values reported in literature for U and Pu. Other models are based on an extrapolation of radiation-enhanced diffusion measured either in reactors or under heavy ion bombardment. These models lead to a proportionality factor between the alpha self-irradiation enhanced diffusion coefficient and the volume alpha activity of 2 x 10 -41 (m 5 )

  15. Metal screen retention for thoron daughter free atoms and atoms attached to condensation nuclei

    International Nuclear Information System (INIS)

    Cash, W.; Webb, J.; Fitts, D.; Skrable, K.W.; Chabot, G.E.

    1978-01-01

    Metal support screens available in a 47 mm commercial filter holder (model F3052-4, available from Scientific Products, Bedford, MA) assembly were tested for retention of thoron daughter atoms and atoms attached to condensation nuclei as a function of the flow rate of the carrier air stream. Sources of Pb-212 were generated on the surface of a metal disk by exposing the disk to thoron emanation generated from a special preparation of Th-228. This source of Pb-212, in transient equilibrium with its daughters, was placed in a flow through chamber connected in series to two of the metal screens backed by a glass fiber filter. Most of the recoil product radioactivity emitted from the Pb-212 source and collected on the screens was due to single atoms of Tl-208, which is born by alpha decay of Bi-212 with a recoil energy of 116 keV. Some free atoms of Bi-212 were also observed. Alpha autoradiographs of Filter samples placed on the downstream side of the two metal screens gave proof of the existence of Pb-212 aggregates through their alpha star images. These aggregate recoil particles were found to have a much higher penetration through the screens than free atoms of Tl-208 and Bi-212. Penetration of Tl-208 atoms and ions decreased exponentially as the inverse of the carrier air flow rate. Penetration varied from 0.047 at 0.088 cfm to 0.661 at 2.47 cfm. Atoms of Pb-212 attached to condensation nuclei were obtained by passing thoron into a reaction chamber containing naturally occurring condensation nuclei from the laboratory. The retention for these attached species varied both as a function of the flow rate and the age of the aerosol. The maximum retention varied from 0.525% at 6.38 cfm to 3.5% at 0.636 cfm for respective delay times of 120 and 30 minutes post the introduction of the thoron into the reaction chamber. A system consisting of a single screen backed by a glass fiber filter may be used to obtain the numbers of radon or thoron daughter free atoms and attached

  16. 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

  17. 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

  18. Bloch oscillations of ultracold atoms and measurement of the fine structure constant

    International Nuclear Information System (INIS)

    Clade, P.

    2005-10-01

    From a measurement of the recoil velocity of an atom absorbing a photon, it is possible to deduce a determination of the ratio h/m between the Planck constant and the mass of the atoms and then to deduce a value of the fine structure constant alpha. To do this measurement, we use the technique of Bloch oscillations, which allows us to transfer a large number of recoils to atoms. A velocity sensor, based on velocity selective Raman transition, enables us to measure the momentum transferred to the atoms. A measurement with a statistical uncertainty of 4.4 10 -9 , in conjunction with a careful study of systematic effects (5 10 -9 ), has led us to a determination of alpha with an uncertainty of 6.7 10 -9 : α -1 (Rb) = 137.03599878 (91). This uncertainty is similar to the uncertainty of the best determinations of alpha based on atom interferometry. (author)

  19. Can effective atomic polarizability {alpha}{sub d} determine the ionization of {sup 99}tc{sup m} - diaminedithiol alkylamine radioligand derivatives?; Polarizabilidade atomica efetiva {alpha}{sub d} pode ditar a ionizacao de radioligantes {sup 99}Tc{sup m} - diaminoditiol alquilaminicos?

    Energy Technology Data Exchange (ETDEWEB)

    Goncalves, Marcos Moises; Fraceto, Leonardo Fernandes; Vila, Marta Maria Duarte Carvalho; Oliveira, Robson Vicente Machado de [Universidade de Sorocaba, SP (Brazil). Curso de Farmacia]. E-mail: marcos.goncalves@uniso.br

    2006-09-15

    Polarizability correlates well with organic ion stabilization in solution and can be defined as a measure of the relative ease of the distortion of the electronic cloud of a dipolar system exposed to an external electric field. The effective atomic polarizability, {alpha}{sub d}, has a fundamental influence on chemical reactivity in the gas phase and in solution. In terms of chemical reactivity the charge is generated within the molecule as a positive charge due to protonation, ionization or resulting from the attack of a nucleophilic anion. In this paper, lipoidal diaminedithiol (DADT) perfusion radioligands based on {sup 99}Tc{sup m} and possessing an alkylamine side chain have been used to check the influence of {alpha}{sub d} on their brain uptake. Some new DADT derivatives, respectively DADT-DIPA (diaminedithiol-diisopropylamine), DADT DIBA (diaminedithiol - diisobutylamine), DADT-PR (diaminedithiol-branched piperidine), have been designed to have high nitrogen alkylamine {alpha}{sub d} values. In spite of the fact of higher {alpha}{sub d} values having been correlated to higher brain uptakes, there is not a clear mechanism able to trap these radioligands into the brain space. (author)

  20. 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

  1. Calculation of effective atomic number and electron density of essential biomolecules for electron, proton, alpha particle and multi-energetic photon interactions

    Science.gov (United States)

    Kurudirek, Murat; Onaran, Tayfur

    2015-07-01

    Effective atomic numbers (Zeff) and electron densities (Ne) of some essential biomolecules have been calculated for total electron interaction, total proton interaction and total alpha particle interaction using an interpolation method in the energy region 10 keV-1 GeV. Also, the spectrum weighted Zeff for multi-energetic photons has been calculated using Auto-Zeff program. Biomolecules consist of fatty acids, amino acids, carbohydrates and basic nucleotides of DNA and RNA. Variations of Zeff and Ne with kinetic energy of ionizing charged particles and effective photon energies of heterogeneous sources have been studied for the given materials. Significant variations in Zeff and Ne have been observed through the entire energy region for electron, proton and alpha particle interactions. Non-uniform variation has been observed for protons and alpha particles in low and intermediate energy regions, respectively. The maximum values of Zeff have found to be in higher energies for total electron interaction whereas maximum values have found to be in relatively low energies for total proton and total alpha particle interactions. When it comes to the multi-energetic photon sources, it has to be noted that the highest Zeff values were found at low energy region where photoelectric absorption is the pre-dominant interaction process. The lowest values of Zeff have been shown in biomolecules such as stearic acid, leucine, mannitol and thymine, which have highest H content in their groups. Variation in Ne seems to be more or less the same with the variation in Zeff for the given materials as expected.

  2. Numerical analysis of alpha spectra using two different codes

    International Nuclear Information System (INIS)

    Hurtado, S.; Jimenez-Ramos, M.C.; Villa, M.; Vioque, I.; Manjon, G.; Garcia-Tenorio, R.

    2008-01-01

    This work presents an intercomparison between commercial software for alpha-particle spectrometry, Genie 2000, and the new free available software, Winalpha, developed by International Atomic Energy Agency (IAEA). In order to compare both codes, different environmental spectra containing plutonium, uranium, thorium and polonium have been analyzed, together with IAEA test alpha spectra. A statistical study was performed in order to evaluate the precision and accuracy in the analyses, and to enhance the confidence in using the software on alpha spectrometric studies

  3. Treatment of alpha bearing wastes

    International Nuclear Information System (INIS)

    1988-01-01

    This report deals with the current state of the art of alpha waste treatment, which is an integral part of the overall nuclear waste management system. The International Atomic Energy Agency (IAEA) defines alpha bearing waste as 'waste containing one or more alpha emitting radionuclides, usually actinides, in quantities above acceptable limits'. The limits are established by national regulatory bodies. The limits above which wastes are considered as alpha contaminated refer to the concentrations of alpha emitters that need special consideration for occupational exposures and/or potential safety, health, or environmental impact during one or more steps from generation through disposal. Owing to the widespread use of waste segregation by source - that is, based upon the 'suspect origin' of the material - significant volumes of waste are being handled as alpha contaminated which, in fact, do not require such consideration by reason of risk or environmental concern. The quantification of de minimis concepts by national regulatory bodies could largely contribute to the safe reduction of waste volumes and associated costs. Other factors which could significantly contribute to the reduction of alpha waste arisings are an increased application of assaying and sorting, instrumentation and the use of feedback mechanisms to control or modify the processes which generate these wastes. Alpha bearing wastes are generated during fabrication and reprocessing of nuclear fuels, decommissioning of alpha contaminated facilities, and other activities. Most alpha wastes are contact handled, but a small portion may require shielding or remote handling because of high levels of neutron (n), beta (β), or gamma (γ) emissions associated with the waste material. This report describes the sources and characteristics of alpha wastes and strategies for alpha waste management. General descriptions of treatment processes for solid and liquid alpha wastes are included. 71 refs, 14 figs, 9 tabs

  4. 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.

  5. Insights into the electrochemical activity of nanosized {alpha}-LiFeO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Morales, J.; Santos-Pena, J.; Trocoli, R. [Departamento de Quimica Inorganica e Ingenieria Quimica, Edificio Marie Curie, Campus de Rabanales, Universidad de Cordoba, Cordoba 14071 (Spain); Franger, S. [Laboratoire de Physico-Chimie de l' Etat Solide, ICMMO, Universite Paris XI, Orsay 91405 (France); Rodriguez-Castellon, E. [Departamento de Quimica Inorganica, Cristalografia y Mineralogia, Campus de Teatinos, Universidad de Malaga, Malaga 29071 (Spain)

    2008-09-20

    In recent work [J. Morales, J. Santos-Pena, Electrochem. Commun. 9 (2007) 2116], we prepared nanosized {alpha}-LiFeO{sub 2} with increased electrochemical activity in lithium cells relative to various lithium ferrite polymorphs. In this work, we studied the previous electrodes in different charge states in order to obtain a more accurate picture of the phenomena occurring during cycling. Exsitu X-ray photoelectron spectroscopy (XPS) measurements confirmed the oxidation/reduction of iron atoms during the charge/discharge process. The electrochemical impedance spectroscopy results suggested that the electrolyte is not oxidised during the first charge, but rather than a solid electrolyte interface is formed after one cycle. Also, thermal tests revealed that Fe(IV) present in the electrodes reacted with the electrolyte to form oxidised carbon species. Finally, {alpha}-LiFeO{sub 2} was tested as a positive electrode material in a lithium battery under different regimes. Stabilised capacities up to 150 mAh g{sup -1} were obtained under a C/4 regime. This lithium ferrite is therefore an attractive alternative to LiCoO{sub 2}. (author)

  6. 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.

  7. Increased frequency of CD4{sup -}8{sup -}T cells bearing T-cell receptor {alpha}{beta} chains in peripheral blood of atomic bomb survivors exposed to high doses

    Energy Technology Data Exchange (ETDEWEB)

    Yoichiro Kusunoki; Seishi Kyoizumi; Yuko Hirai; Shoichiro Fujita; Mitoshi Akiyama [Radiation Effects Research Foundation, Hiroshima (Japan)

    1994-07-01

    A rare T-cell subpopulation, CD4{sup -z}8{sup -}{alpha}{beta} cells, may be differentiated through a pathway (or pathways) different from the pathway(s) of conventional CD4+ or CD8+ cells. In the present study, the frequencies of CD4{sup -}8{sup -} T cells in peripheral-blood {alpha}{beta} T cells in 409 atomic bomb survivors were determined to investigate late effects of radiation on the composition of human T-cell subpopulations. The frequency of CD4{sup -}8{sup -}{alpha}{beta} T-cell decreased significantly with the subject`s age and was higher in females than males. A significant increase in the frequency was found in the survivors exposed to more than 1.5Gy, suggesting that the previous radiation exposure altered differentiation and development of T cells. 25 refs., 4 figs., 3 tabs.

  8. Lamb shift in the muonic deuterium atom

    Energy Technology Data Exchange (ETDEWEB)

    Krutov, A. A.; Martynenko, A. P. [Samara State University, Pavlov street 1, 443011, Samara (Russian Federation); Samara State University, Pavlov Street 1, 443011, Samara, Russia and Samara State Aerospace University named after academician S.P. Korolyov, Moskovskoye Shosse 34, 443086, Samara (Russian Federation)

    2011-11-15

    We present an investigation of the Lamb shift (2P{sub 1/2}-2S{sub 1/2}) in the muonic deuterium ({mu}D) atom using the three-dimensional quasipotential method in quantum electrodynamics. The vacuum polarization, nuclear-structure, and recoil effects are calculated with the account of contributions of orders {alpha}{sup 3}, {alpha}{sup 4}, {alpha}{sup 5}, and {alpha}{sup 6}. The results are compared with earlier performed calculations. The obtained numerical value of the Lamb shift at 202.4139 meV can be considered a reliable estimate for comparison with forthcoming experimental data.

  9. 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.

  10. A history of nuclear transmutations by natural alpha particles

    International Nuclear Information System (INIS)

    Leone, Matteo

    2005-01-01

    A systematic account of the use of alpha particles up to the 1930s for promoting the disintegration of atoms is here provided. As will be shown, a number of different radium family alpha sources were used in the experiments that led to the discoveries of the proton (Rutherford E 1919 Phil. Mag. 37 581-7) and neutron (Chadwick J 1932 Nature 129 312). The reasons leading to the employment of a particular alpha particle source, as well as the relationship between these sources and the available methods of recording, will be closely addressed

  11. The influence of interferon alpha on the rat liver injured by chronic administration of carbon tetrachloride.

    Science.gov (United States)

    Madro, Agnieszka; Słomka, Maria; Celiński, Krzysztof; Chibowski, Daniel; Czechowska, Grazyna; Kleinrok, Zdzisław; Karpińska, Agnieszka

    2002-01-01

    Due to their complex and not fully known etiopathogenesis as well as difficulties in treatment, chronic hepatitis and cirrhosis still remain one of the main problems of hepatologists. Nowadays, the use of IFN alpha is considered the most effective method of treatment in chronic hepatitis. Recently, a new property of IFN, i.e. its effects on the reduction of fibrosis, has been discovered. The aim of the paper was to examine the effects of IFN alpha on biochemical parameters (AlAt and AspAt activities), on the metabolic function of the liver and its morphologic picture observed under the light and electron microscope after the 3- and 6-week CCl4-induced damage. The experiments were carried out in Wistar male rats. To evaluate the liver function, the test of aminophenazone elimination in the isolated perfused rat livers was used according to Miller modified by Hafte. Additionally, AspAt and AlAt activities were determined. The liver specimens were analysed under the light and electron microscope and using immunohistochemical methods. The findings show that after the 3-week CCl4-induced liver damage, IFN alpha does not significantly affect AlAt and AspAt activities, irrespective of the dose used. IFN alpha administered after the 6-week damage significantly changes those activities when the doses used are high. It was found that carbon tetrachloride does not result in evident cirrhotic changes, however it activates Ito cells, causes focal retraction of the stroma and fibrosis. The increased number of Ito cells in Disse's space observed in immunohistochemical and ultrastructural examinations is indicative of the activation of liver fibrotic processes following CCl4 administration in both variants used. IFN alpha substantially weakens fibrogenesis of the CCl4-damaged liver which is visible in the decreased number of Ito cells and weaker expression of the stroma retraction. Moreover, IFN alpha administered to the experimental animals after the CCl4-induced injury of the

  12. The Paramagnetism of Dissolved Mn in {alpha} and {beta} Brasses

    Energy Technology Data Exchange (ETDEWEB)

    Myers, H P; Westin, R

    1962-12-15

    Paramagnetic susceptibility measurements have been made on {alpha} and {beta} brasses containing {approx} 1 w/o Mn. The susceptibility varied with temperature according to the Curie Weiss law and the Curie constant and thereby the Bohr magneton number per Mn atom were determined. Interpreted in terms of valency, Mn monovalent in copper has a valency in {alpha} brass which decreases progressively with zinc content attaining the value 0.58 at the limiting of composition. Mn in {beta} brass exhibits a valency 0.8. These results are not in keeping with previous values for the valency of manganese as determined from phase boundary relationships and electron to atom ratios.

  13. 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.

  14. 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.

  15. 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.

  16. Direct chemical synthesis of 1 alpha,25-dihydroxy[26,27-3H] vitamin D3 with high specific activity: its use in receptor studies

    International Nuclear Information System (INIS)

    Napoli, J.L.; Mellon, W.S.; Fivizzani, M.A.; Schnoes, H.K.; DeLuca, H.F.

    1980-01-01

    The first direct chemical synthesis of radiolabeled 1 alpha, 25-dihydroxyvitamin D3 is reported. Unlike all previous syntheses, the new approach does not rely on enzymatic 1 alpha-hydroxylation of radiolabeled precursors. Rather, isotope is introduced in the last synthetic step by reaction of [3H] -methylmagnesium bromide with methyl 1 alpha-hydroxy-26,27-dinorvitamin D3-25-carboxylate to give 1 alpha,25-dihydroxy-[26,27-3H] vitamin D3 with a specific activity of 160 Ci/mmol. Mass spectroscopy confirmed that the radiohormone consists of a single isomer with six tritium atoms bound to carbons 26 and 27. Synthetically produced 1 alpha,25-dihydroxy [26,27-3H] vitamin D3 is indistinguishable from 1 alpha,25-dihydroxy-[26,27-3H] vitamin D3 obtained from the enzymatic 1 alpha-hydroxylation of 25-hydroxy[26,27-3H] vitamin D3 (160 Ci/mmol) by high-pressure liquid chromatography analysis and in the competitive binding assay using chick intestinal cytosol as the receptor source. Equilibrium dissociation constant measurements with the high specific activity radiohormone indicate a Kd of 8.2 x 10(-11) M for the chick intestinal cytosol 1 alpha,25-dihydroxyvitamin D3 receptor--a value considerably lower than the constants in the range of (1-5) x 10(-9) M previously reported

  17. 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.

  18. 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

  19. Determination of C and O and other elements by alpha-induced X-ray energy spectrometry

    International Nuclear Information System (INIS)

    Henningsen, W.P.; Schaetzler, H.P.; Kuehn, W.

    1978-01-01

    X-ray energy spectrometry combined with alpha-excitation by means of radionuclides, especially Po-210, has been found as a versatile tool for multielement analysis. Down to Z = 6 (carbon) qualitative and quantitative measurements have been carried out with energy resolution good enough to separate adjacent elements. Thereby errors and lowest detectable concentrations were in the region of one percent. By utilizing M- and L-X-radiation the set of detectable elements can be opened to high atomic numbers. As an example with special regard to environmental research cadmium in organic matrix was measured down to 100 ppm without any preconcentration. Much lower detection limits might be reached by appropriate measures. (orig.) [de

  20. 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.

  1. 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

  2. Lattice dynamics of {alpha} boron and of boron carbide; Proprietes vibrationnelles du bore {alpha} et du carbure de bore

    Energy Technology Data Exchange (ETDEWEB)

    Vast, N

    1999-07-01

    The atomic structure and the lattice dynamics of {alpha} boron and of B{sub 4}C boron carbide have been studied by Density Functional Theory (D.F.T.) and Density Functional Perturbation Theory (D.F.P.T.). The bulk moduli of the unit-cell and of the icosahedron have been investigated, and the equation of state at zero temperature has been determined. In {alpha} boron, Raman diffusion and infrared absorption have been studied under pressure, and the theoretical and experimental Grueneisen coefficients have been compared. In boron carbide, inspection of the theoretical and experimental vibrational spectra has led to the determination of the atomic structure of B{sub 4}C. Finally, the effects of isotopic disorder have been modeled by an exact method beyond the mean-field approximation, and the effects onto the Raman lines has been investigated. The method has been applied to isotopic alloys of diamond and germanium. (author)

  3. Atomic process calculations in hot dense plasmas using average atom models

    International Nuclear Information System (INIS)

    Velarde, G.; Aragones, J.M.; Gamez, L.; Honrubia, J.J.; Martinez-Val, J.M.; Minguez, E.; Ocana, J.L.; Perlado, J.M.; Serrano, J.F.

    1987-01-01

    During the past years, an important effort has been devoted in the authors Institute to develop the NORCLA code, which in the first version was characterized by the following features: one-dimensional lagrangian mesh; equilibrium between radiation, ion and electron species; local alpha energy deposition; neutron transport by the discrete ordinates method and analytical equation of state, opacities and conductivities. In the successive versions of NORCLA, EOS and electron conductivities were modified by the pressure ionization and degeneracy corrections; a module was also developed for computing the energy deposition of the incident ion beams coupled to the energy equation, and a code to calculate the alpha particle transport and energy deposition. Recently, a 3T version of the NORCLA code, with tabular EOS, opacities and conductivities, laser ray tracing and suprathermal electrons transport has been produced. In this article, the atomic physic models developed to determine more accurate the atomic data, such as EOS and opacities are explained, giving a brief description and a comparison of them. As a result of this development, a DENIM Atomic Data Library is being generated, taking some data and procedures from the SESAME Library. This library is presented, including a comparison of the opacity data for aluminium and iron at different densities and temperatures. Conclusions about this work are presented, and the ongoing developments summarized

  4. AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein–Protein Interaction Interfaces

    Science.gov (United States)

    2016-01-01

    Inhibition of protein–protein interactions (PPIs) is emerging as a promising therapeutic strategy despite the difficulty in targeting such interfaces with drug-like small molecules. PPIs generally feature large and flat binding surfaces as compared to typical drug targets. These features pose a challenge for structural characterization of the surface using geometry-based pocket-detection methods. An attractive mapping strategy—that builds on the principles of fragment-based drug discovery (FBDD)—is to detect the fragment-centric modularity at the protein surface and then characterize the large PPI interface as a set of localized, fragment-targetable interaction regions. Here, we introduce AlphaSpace, a computational analysis tool designed for fragment-centric topographical mapping (FCTM) of PPI interfaces. Our approach uses the alpha sphere construct, a geometric feature of a protein’s Voronoi diagram, to map out concave interaction space at the protein surface. We introduce two new features—alpha-atom and alpha-space—and the concept of the alpha-atom/alpha-space pair to rank pockets for fragment-targetability and to facilitate the evaluation of pocket/fragment complementarity. The resulting high-resolution interfacial map of targetable pocket space can be used to guide the rational design and optimization of small molecule or biomimetic PPI inhibitors. PMID:26225450

  5. 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.

  6. 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.

  7. 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.

  8. Immobilization of [Cu(bpy)2]Br2 complex onto a glassy carbon electrode modified with alpha-SiMo12O40(4-) and single walled carbon nanotubes: application to nanomolar detection of hydrogen peroxide and bromate.

    Science.gov (United States)

    Salimi, Abdollah; Korani, Aazam; Hallaj, Rahman; Khoshnavazi, Roshan; Hadadzadeh, Hasan

    2009-03-02

    A simple procedure has been used for preparation of modified glassy carbon electrode with carbon nanotubes and copper complex. Copper complex [Cu(bpy)(2)]Br(2) was immobilized onto glassy carbon (GC) electrode modified with silicomolybdate, alpha-SiMo(12)O(40)(4-) and single walled carbon nanotubes (SWCNTs). Copper complex and silicomolybdate irreversibly and strongly adsorbed onto GC electrode modified with CNTs. Electrostatic interactions between polyoxometalates (POMs) anions and Cu-complex, cations mentioned as an effective method for fabrication of three-dimensional structures. The modified electrode shows three reversible redox couples for polyoxometalate and one redox couple for Cu-complex at wide range of pH values. The electrochemical behavior, stability and electron transfer kinetics of the adsorbed redox couples were investigated using cyclic voltammetry. Due to electrostatic interaction, copper complex immobilized onto GC/CNTs/alpha-SiMo(12)O(40)(4-) electrode shows more stable voltammetric response compared to GC/CNTs/Cu-complex modified electrode. In comparison to GC/CNTs/Cu-complex the GC/CNTs/alpha-SiMo(12)O(40)(4-) modified electrodes shows excellent electrocatalytic activity toward reduction H(2)O(2) and BrO(3)(-) at more reduced overpotential. The catalytic rate constants for catalytic reduction hydrogen peroxide and bromate were 4.5(+/-0.2)x10(3) M(-1) s(-1) and 3.0(+/-0.10)x10(3) M(-1) s(-1), respectively. The hydrodynamic amperommetry technique at 0.08 V was used for detection of nanomolar concentration of hydrogen peroxide and bromate. Detection limit, sensitivity and linear concentration range proposed sensor for bromate and hydrogen peroxide detection were 1.1 nM and 6.7 nA nM(-1), 10 nM-20 microM, 1 nM, 5.5 nA nM(-1) and 10 nM-18 microM, respectively.

  9. Spectral Ly{alpha}, Ly{beta}, and H{alpha} line shapes for the H atom in the presence of a magnetic field in a plasma; Profils des raies spectrales Ly{alpha}, Ly{beta}, et H{alpha} de l'atome H en presence d'un champ magnetique dans un plasma

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, H; Herman, L [Laboratoire de Recherches Physiques, Faculte des sciences, 9 Quai Saint Bernard, 75 - Paris (France); Drawin, H W [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1967-02-15

    This report contains numerical data of the line shapes of Ly{alpha}, Ly{beta}, and H{alpha} for the following parameters: 1. 10{sup 2} {<=} H [gauss] {<=} 1.2. 10{sup 5} 1. 10{sup 15}{<=} N [cm{sup -3}] {<=} 1. 10{sup 18} cm{sup -3} 1. 10{sup 4} {<=} T [deg. K] {<=} 4. 10{sup 4} where H = magnetic field strength, K = density of plasma ions, T = electron temperature. (authors) [French] Dans ce rapport, on donne les valeurs numeriques des contours des raies spectrales Ly{alpha}, Ly{beta}, et H{alpha} pour les valeurs suivantes des parametres H, N et T 1. 10{sup 2} {<=} H [gauss] {<=} 1.2. 10{sup 5} 1. 10{sup 15}{<=} N [cm{sup -3}] {<=} 1. 10{sup 18} cm{sup -3} 1. 10{sup 4} {<=} T [deg. K] {<=} 4. 10{sup 4} ou H intensite du champ magnetique, N = densite des ions, T = temperature electronique. (auteurs)

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. Continuous coherent Lyman-alpha excitation of atomic hydrogen.

    NARCIS (Netherlands)

    Eikema, K.S.E.; Waltz, J.; Hänsch, T.

    2001-01-01

    The first near natural linewidth of the 1S-2P transition in atomic hydrogen was reported with a high degree of accuracy. A high yield of continuous Lyman-α radiation based on four wave mixing in mercury was employed. It was shown that laser cooloing and detection with Lyman-α radiation has excellent

  17. 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.

  18. Effects of alpha particles on zebrafish embryos

    International Nuclear Information System (INIS)

    Yum, E.H.W.; Choi, V.W.Y.; Yu, K.N.; Li, V.W.T.; Cheng, S.H.

    2008-01-01

    Full text: Ionizing radiation such as X-ray and alpha particles can damage cellular macromolecules, which can lead to DNA single- and double-strand breaks. In the present work, we studied the effects of alpha particles on dechorionated zebrafish embryos. Thin polyallyldiglycol carbonate (PADC) films with a thickness of 16 μm were prepared from commercially available PADC films (with thickness of 100 μm) by chemical etching and used as support substrates for holding zebrafish embryos for alpha-particle irradiation. These films recorded alpha-particle hit positions, quantified the number and energy of alpha particles actually incident on the embryo cells, and thus enabled the calculation of the dose absorbed by the embryo cells. Irradiation was made at 1.25 hours post fertilization (hpf) with various absorbed dose. TdT-mediated dUTP Nick-End Labeling (TUNEL) assay was performed on the embryos at different time stages after irradiation. Marked apoptosis was detected only in embryos at earlier time stages. The results showed that DNA double-strand break during zebrafish embryogenesis can be induced by alpha-particle irradiation, which suggests that zebrafish is a potential model for assessing the effects of alpha-particle radiation

  19. 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)

  20. Uranium isotopic determination by alpha spectroscopy

    International Nuclear Information System (INIS)

    Acena, M.; Garcoa-Torano, E.

    1979-01-01

    A method for alpha-spectrometry determinations of uranium isotopes, using surface barrier detectors, is described. This method is based in the shape similarity of the most intense line groups for the nuclides 234 U, 235 U, 236 U and 238 U. The method yields analytical results sufficiently accurate in samples with 235 U contents lower than 25% in atoms. (author)

  1. 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

  2. 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.

  3. Light charged particle production in fast neutron-induced reactions on carbon (En=40 to 75 MeV) (II). Tritons and alpha particles

    International Nuclear Information System (INIS)

    Dufauquez, C.; Slypen, I.; Benck, S.; Meulders, J.P.; Corcalciuc, V.

    2000-01-01

    Double-differential cross sections for fast neutron-induced triton and alpha-particle production on carbon are reported at six incident neutron energies between 40 and 75 MeV. Angular distributions were measured at laboratory angles between 20 deg. and 160 deg. . Energy-differential, angle-differential and total cross sections are also reported. Experimental cross sections are compared to existing experimental data and to theoretical model calculations

  4. 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.

  5. 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

  6. Atomic and plasma-material interaction data for fusion. V. 3

    International Nuclear Information System (INIS)

    1992-01-01

    This volume of Atomic and Plasma-Material Interaction Data for Fusion is devoted to atomic collision processes of helium atoms and of beryllium and boron atoms and ions in fusion plasmas. Most of the articles included in this volume are extended versions of the contributions presented at the IAEA experts' meetings on Atomic Data for Helium Beam Fusion Alpha Particle Diagnostics and on the Atomic Database for Beryllium and Boron, held in June 1991 at the IAEA headquarters in Vienna, or have resulted from the cross-section data analyses and evaluations performed by the working groups of these meetings. Refs, figs and tabs

  7. Superparamagnetic relaxation in alpha-Fe particles

    DEFF Research Database (Denmark)

    Bødker, Franz; Mørup, Steen; Pedersen, Michael Stanley

    1998-01-01

    The superparamagnetic relaxation time of carbon-supported alpha-Fe particles with an average size of 3.0 Mm has been studied over a large temperature range by the use of Mossbauer spectroscopy combined with AC and DC magnetization measurements. It is found that the relaxation time varies...

  8. 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

  9. 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)

  10. 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)

  11. Anchoring alpha-manganese oxide nanocrystallites on multi-walled carbon nanotubes as electrode materials for supercapacitor

    Science.gov (United States)

    Li, Li; Qin, Zong-Yi; Wang, Ling-Feng; Liu, Hong-Jin; Zhu, Mei-Fang

    2010-09-01

    The partial coverage of manganese oxide (MnO2) particles was achieved on the surfaces of multi-walled carbon nanotubes (MWCNTs) through a facile hydrothermal process. These particles were demonstrated to be alpha-manganese dioxide (α-MnO2) nanocrystallites, and exhibited the appearance of the whisker-shaped crystals with the length of 80-100 nm. In such a configuration, the uncovered CNTs in the nanocomposite acted as a good conductive pathway and the whisker-shaped MnO2 nanocrystallites efficiently increased the contact of the electrolyte with the active materials. Thus, the highest specific capacitance of 550 F g-1 was achieved using the resulting nanocomposites as the supercapacitor electrode. In addition, the enhancement of the capacity retention was observed, with the nanocomposite losing only 10% of the maximum capacity after 1,500 cycles.

  12. Discovery and the atom

    International Nuclear Information System (INIS)

    1989-01-01

    ''Discovery and the Atom'' tells the story of the founding of nuclear physics. This programme looks at nuclear physics up to the discovery of the neutron in 1932. Animation explains the science of the classic experiments, such as the scattering of alpha particles by Rutherford and the discovery of the nucleus. Archive film shows the people: Lord Rutherford, James Chadwick, Marie Curie. (author)

  13. 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.

  14. 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.

  15. 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.)

  16. Enantioselective radical addition/trapping reactions with alpha,beta-disubstituted unsaturated imides. Synthesis of anti-propionate aldols.

    Science.gov (United States)

    Sibi, Mukund P; Petrovic, Goran; Zimmerman, Jake

    2005-03-02

    This manuscript describes a highly diastereo- and enantioselective intermolecular radical addition/hydrogen atom transfer to alpha,beta-disubstituted enoates. Additionally, we show that anti-propionate aldol-like products can be easily prepared from alpha-methyl-beta-acyloxyenoates in good yields and high diastereo- and enantioselectivities.

  17. International bulletin on atomic and molecular data for fusion. No. 18

    International Nuclear Information System (INIS)

    Katsonis, K.

    1982-02-01

    This bulletin deals with atomic and molecular data for fusion. A bibliography for the most recent data presented in the document is provided. Work in progress is briefly reported (electron impact excitation of hydrogen-like argon ions, excitation and charge transfer in collisions of Li atoms with alpha particles)

  18. 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

  19. Penetration of HEPA filters by alpha recoil aerosols

    International Nuclear Information System (INIS)

    McDowell, W.J.; Seeley, F.G.; Ryan, M.T.

    1976-01-01

    The self-scattering of alpha-active substances has long been recognized and is attributed to expulsion of aggregates of atoms from the surface of alpha-active materials by alpha emission recoil energy, and perhaps to further propulsion of these aggregates by subsequent alpha recoils. Workers at the University of Lowell recently predicted that this phenomenon might affect the retention of alpha-active particulate matter by HEPA filters, and found support in experiments with 212 Pb. Tests at Oak Ridge National Laboratory have confirmed that alpha-emitting particulate matter does penetrate high-efficiency filter media, such as that used in HEPA filters, much more effectively than do non-radioactive or beta-gamma active aerosols. Filter retention efficiencies drastically lower than the 99.9 percent quoted for ordinary particulate matter were observed with 212 Pb, 253 Es, and 238 Pu sources, indicating that the phenomenon is common to all of these and probably to all alpha-emitting materials of appropriate half-life. Results with controlled air-flow through filters in series are consistent with the picture of small particles dislodged from the ''massive'' surface of an alpha-active material, and then repeatedly dislodged from positions on the filter fibers by subsequent alpha recoils. The process shows only a small dependence on the physical form of the source material. Oxide dust, nitrate salt, and plated metal all seem to generate the recoil particles effectively. The amount penetrating a series of filters depends on the total amount of activity in the source material, its specific activity, and the length of time of air flow

  20. Structure and Reactivity of the Glutathione Radical Cation: Radical Rearrangement from the Cysteine Sulfur to the Glutamic Acid alpha-Carbon Atom

    NARCIS (Netherlands)

    Osburn, S.; Berden, G.; Oomens, J.; Gulyuz, K.; Polfer, N.C.; O'Hair, R.A.J.; Ryzhov, V.

    2013-01-01

    A gas-phase radical rearrangement through intramolecular hydrogen-atom transfer (HAT) was studied in the glutathione radical cation, [-ECG](+.), which was generated by a homolytic cleavage of the protonated S-nitrosoglutathione. Ion-molecule reactions suggested that the radical migrates from the

  1. 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

  2. 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

  3. 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.

  4. Towards antihydrogen trapping and spectroscopy at ALPHA

    International Nuclear Information System (INIS)

    Butler, E.; Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Bray, C. C.; Cesar, C. L.; Chapman, S.; Charlton, M.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Hangst, J. S.; Hardy, W. N.; Hayano, R. S.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.

    2011-01-01

    Spectroscopy of antihydrogen has the potential to yield high-precision tests of the CPT theorem and shed light on the matter-antimatter imbalance in the Universe. The ALPHA antihydrogen trap at CERN’s Antiproton Decelerator aims to prepare a sample of antihydrogen atoms confined in an octupole-based Ioffe trap and to measure the frequency of several atomic transitions. We describe our techniques to directly measure the antiproton temperature and a new technique to cool them to below 10 K. We also show how our unique position-sensitive annihilation detector provides us with a highly sensitive method of identifying antiproton annihilations and effectively rejecting the cosmic-ray background.

  5. Towards Antihydrogen Trapping and Spectroscopy at ALPHA

    CERN Document Server

    Butler, Eoin; Ashkezari, Mohammad.D.; Baquero-Ruiz, Marcelo; Bertsche, William; Bowe, Paul D.; Bray, Crystal C.; Cesar, Claudio L.; Chapman, Steven; Charlton, Michael; Fajans, Joel; Friesen, Tim; Fujiwara, Makoto C.; Gill, David R.; Hangst, Jeffrey S.; Hardy, Walter N.; Hayano, Ruyugo S.; Hayden, Michael E.; Humphries, Andrew J.; Hydomako, Richard; Jonsell, Svante; Kurchaninov, Leonid; Lambo, Ricardo; Madsen, Niels; Menary, Scott; Nolan, Paul; Olchanski, Konstantin; Olin, Art; Povilus, Alexander; Pusa, Petteri; Robicheaux, Francis; Sarid, Eli; Silveira, Daniel M.; So, Chukman; Storey, James W.; Thompson, Robert I.; van der Werf, Dirk P.; Wilding, Dean; Wurtele, Jonathan S.; Yamazaki, Yasunori

    2011-01-01

    Spectroscopy of antihydrogen has the potential to yield high-precision tests of the CPT theorem and shed light on the matter-antimatter imbalance in the Universe. The ALPHA antihydrogen trap at CERN's Antiproton Decelerator aims to prepare a sample of antihydrogen atoms confined in an octupole-based Ioffe trap and to measure the frequency of several atomic transitions. We describe our techniques to directly measure the antiproton temperature and a new technique to cool them to below 10 K. We also show how our unique position-sensitive annihilation detector provides us with a highly sensitive method of identifying antiproton annihilations and effectively rejecting the cosmic-ray background.

  6. 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.

  7. Radial-velocity variations in Alpha Ori, Alpha Sco, and Alpha Her

    International Nuclear Information System (INIS)

    Smith, M.A.; Patten, B.M.; Goldberg, L.

    1989-01-01

    Radial-velocity observations of Alpha Ori, Alpha Sco A, and Alpha Her A are used to study radial-velocity periodicities in M supergiants. The data refer to several metallic lines in the H-alpha region and to H-alpha itself. It is shown that Alpha Ori and Alpha Sco A have cycle lengths of about 1 yr and semiamplitudes of 2 km/s. It is suggested that many semiregular red supergiant varibles such as Alpha Ori may be heading toward chaos. All three stars show short-term stochastic flucutations with an amplitude of 1-2 km/s. It is found that the long-term variability of H-alpha velocities may be a consequence of intermittent failed ejections. 58 refs

  8. 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.

  9. 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

  10. 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

  11. Free hydrogen atom collision cross sections of interest in controlled thermonuclear research

    Energy Technology Data Exchange (ETDEWEB)

    Fite, W L [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)

    1958-07-01

    The present paper summarizes the results of measurements of the cross sections of hydrogen atoms for: (1) ionization, (2) excitation of Lyman alpha radiation on electron impact, and (3) elastic scattering of electrons of energy less than 10 eV; and also describes the approach of measurements now in progress on (4) charge-exchange between deuterons and deuterium atoms and (5) ionization of the hydrogen atom on proton impact.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. An enlarged superfluid model of atomic nucleus

    International Nuclear Information System (INIS)

    Dumitrescu, O.; Horoi, M.

    1989-01-01

    The well known superfluid model (or quasiparticle phonon nuclear model (QPNM)) of atomic nucleus is enlarged by including an adequate four-nucleon effective interaction in addition to the pairing and long-range effective residual interactions. New experimental data can be explained without affecting those observables already described by the QPNM and in addition new features can be enumerated: 1) superfluidities of the neutron and proton systems may be generated by one another; 2) the phase structure is enriched by a new superfluid phase dominated by alpha-type correlations (ATC) and 3) superfluid isomers and their bands of elementary excitations are predicted. Unusual large two-nucleon and alpha transfer reactions cross sections as well as some unusual large alpha decay widths can be explained. (author). 46 refs, 3 figs, 2 tabs

  18. 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

  19. 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)

  20. Fission- and alpha-track study of biogeochemistry of plutonium and uranium in carbonates of Bikini and Enewetak atolls. Progress report, January 1, 1976--December 31, 1976

    International Nuclear Information System (INIS)

    Levy, Y.; Miller, D.S.; Friedman, G.M.

    1976-09-01

    Alpha emitters have been detected with a resolution of a few tens of micrometers using a solid state track detector (cellulose nitrate) to map the activity in a coral sample from Bikini. Calibration methods used include: a Pu source of 0.15 μCi in conjunction with polycarbonate and CaCO 3 absorbers of different thicknesses (2 to 30 micrometers), and a powdered coral sample which had been analyzed previously for alpha emitters by chemical methods in conjunction with an alpha spectrometer. 0.04 mm 3 can be measured routinely; smaller concentrations can be determined but with a lower resolution. CaCO 3 of the coral Favites virens from Bikini lagoon was analyzed by placing the detector directly on the sample for thirty days. Sections and thin sections cut perpendicular to one another, but parallel to the direction of coral growth, give very different concentrations and distributions of alpha emitters. Maximum concentrations of 800 pCi/g were measured in a volume of 0.004 mm 3 in void-filling cement separated from the coral and in an area in which coral skeleton and cement could not be distinguished. Areas of high alpha emitter concentrations coincide with areas of coral growth interruption where non coral material exists that is composed of a mixture of encrusting bryozoan like carbonate material and skeletal debris

  1. Notes on the Harwell Carbon Meter (HCM)

    Energy Technology Data Exchange (ETDEWEB)

    Asher, R C; Kirstein, T B.A. [AERE, Harwell, Oxon (United Kingdom)

    1980-05-01

    The sensor of the HCM is an iron membrane, generally in the form of a helically wound tube, the inner surface of which has been oxidised to form an iron oxide film. When immersed in the liquid sodium, preferably in the temperature range 500-650 deg. C, the outer surface of the membrane will rapidly achieve the same carbon activity ({alpha}{sub C}) as the sodium and carbon will diffuse through the iron. When the carbon reaches the inner surface it reacts with the iron oxide to form CO and CO{sub 2} which are swept away by a flow of inert carrier gas. Thus, at the inner surface of the membrane is maintained close to zero. In this way there is produced across the membrane a carbon activity gradient. The rate of diffusion of carbon through the membrane and the resulting flux of CO+CO{sub 2} are directly proportional to {alpha}{sub C} the membrane outer surface and, by the same token, directly proportional to {alpha}{sub C} in the sodium. The rate of production of CO+CO{sub 2} is measured continuously by passing the carrier gas through an analytical unit.

  2. Development of nano-sized {alpha}-Al{sub 2}O{sub 3}:C films for application in digital radiology

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Edna C., E-mail: edca@cdtn.b [Universidade Federal de Minas Gerais (DEN/UFMG), Belo Horizonte (Brazil). Dept. de Engenharia Nuclear; Fontainha, Crissia C. [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte (Brazil). Dept. de Propedeutica Complemetar; Oliveira, Vitor H.; Ferraz, Wilmar B.; Faria, Luiz O. [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2011-07-01

    Ceramic materials are widely used as sensors for ionizing radiation. In nuclear applications, the alpha-alumina doped with carbon ({alpha}-Al{sub 2}O{sub 3}:C) is the most widely ceramic used because of its excellent optically stimulated luminescence (OSL) and thermoluminescent (TL) properties applied to detection of ionizing radiation. Another application of OSL and TL materials are in Digital Radiography, with ceramic/polymeric film composites. Recently, Computed Radiography (CR) devices based on OSL materials are replacing the old conventional film radiography. In this study we investigate the thermoluminescence of nano-sized {alpha}-Al{sub 2}O{sub 3} samples doped with different percentages of carbon, sintered in reducing atmospheres at temperatures ranging from 1300 to 1750 deg C. The results indicate that the nano-sized {alpha}-Al{sub 2}O{sub 3}:C materials have a luminescent response that could be due to both OSL and RPL properties, but without application to radiation dosimetry. Moreover, the results indicate that micro-sized {alpha}-Al{sub 2}O{sub 3}:C, doped with 0.5% carbon, and nano-sized ones doped with 2% of carbon, present thermoluminescent signal around 30 to 100 times the TL output signal of commercial TLD-100, the most used TL dosimeter in the world. The results indicate that these ceramic nano-particles have great potential for use in Digital Radiography based on thermoluminescent film imaging, being able to provide image resolutions much higher than the micro-sized {alpha}-Al{sub 2}O{sub 3}:C, in view of their improved resolution provided by nano-particulates. (author)

  3. Joint General Atomic-TAERF fusion program

    Energy Technology Data Exchange (ETDEWEB)

    Kerst, D W [John Jay Hopkins Laboratory for Pure and Applied Science, General Atomic Division of General Dynamics Corporation, San Diego, CA (United States)

    1958-07-01

    The experimental work has consisted of several parts: the study of charge exchange in hydrogen ionic and atomic collisions, the study of some linear pinch discharge systems with high stabilizing axial magnetic fields, developments on a small scale for a large toroidal geometry, and experiments with various diagnostic methods, including electrical, optical, and shock-tube methods. The experiments on atomic collisions have consisted of measurements of cross sections for the ionization, the excitation of Lyman-alpha radiation, and elastic scattering for the case of electron bombardment. In addition, charge-exchange cross sections between deuterons and deuterium atoms have been measured. The calculations of Dalgarno and Yadav, using a perturbed stationary-state approximation are close to the experimental results which show a very large cross section for charge exchange.

  4. 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.

  5. Introduction to Density Functional Theory: Calculations by Hand on the Helium Atom

    Science.gov (United States)

    Baseden, Kyle A.; Tye, Jesse W.

    2014-01-01

    Density functional theory (DFT) is a type of electronic structure calculation that has rapidly gained popularity. In this article, we provide a step-by-step demonstration of a DFT calculation by hand on the helium atom using Slater's X-Alpha exchange functional on a single Gaussian-type orbital to represent the atomic wave function. This DFT…

  6. The influence of nitrogen sources on the alpha-amylase productivity of Aspergillus oryzae in continuous cultures

    DEFF Research Database (Denmark)

    Pedersen, Henrik; Nielsen, Jens

    2000-01-01

    The influence of the nitrogen source on the cc-amylase productivity of Aspergillus oryzae was quantified in continuous cultivations. Both inorganic and complex nitrogen sources were investigated and glucose was used as the carbon and energy sources. For production of alpha-amylase, nitrate...... in the cc-amylase productivity. The higher alpha-amylase productivity during growth on casein hydrolysate was not caused by increased transcription of the alpha-amylase genes but was caused by a faster secretion of alpha-amylase or by a lower binding of alpha-amylase to the biomass....

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. Explorations of the application of cyanine dyes for quantitative alpha-synuclein detection

    NARCIS (Netherlands)

    Volkova, Kateryna D; Kovalska, V B; Segers-Nolten, G M J; Veldhuis, G.; Subramaniam, V; Yarmoluk, S M

    We examined the practical aspects of using fluorescent mono (T-284) and trimethinecyanine (SH-516) dyes for detecting and quantifying fibrillar alpha-synuclein (ASN). We studied the interaction of cyanine dyes with fibrillar proteins using fluorescence spectroscopy and atomic force microscopy. The

  12. Consequences of non-uniformity in the stoichiometry of component fractions within one and two loops models of alpha-helical peptides

    Science.gov (United States)

    Atoms in biomolecular structures like alpha helices contain an array of distances and angles which include abundant multiple patterns of redundancies. Thus all peptides backbones contain the three atom sequence N-C*C, whereas the repeating set of a four atom sequences (N-C*C-N, C*-C-N-C*, and C-N-C...

  13. 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.

  14. Laser-Ablated Beryllium Ions for Cold Antihydrogen in ALPHA

    CERN Document Server

    Sameed, Muhammed; Charlton, Michael

    One of the best ways to study antimatter is to investigate antihydrogen, the bound state of an antiproton and a positron. Antihydrogen atoms do not exist naturally and must be synthesized in the lab by merging carefully-prepared plasmas of positrons and antiprotons. If the atoms are created in a magnetic trap like the one used by the ALPHA experiment at CERN, then a fraction of the coldest atoms remain trapped, while the rest escape and annihilate on the trap walls. The trapped atoms may then be probed using microwaves or lasers to make high-precision comparisons with hydrogen. Increasing the trapping rate would allow us to perform precision measurements on antihydrogen in a shorter period of time and with better systematics. Particle simulations indicate that by sympathetically cooling positrons using laser-cooled beryllium ions, we have the ability to improve the antihydrogen trapping rate by up to two orders of magnitude. This thesis describes the effort to design and qualify a beryllium ion source that is...

  15. 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.

  16. 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.

  17. 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.

  18. Reactions of carbon radicals generated by 1,5-transposition of reactive centers

    Directory of Open Access Journals (Sweden)

    ZIVORAD CEKOVIC

    2005-03-01

    Full Text Available Radical intermediates can undergo specific reactions, such as intramolecular rearrangements, i.e., the transpositions of radical centers, which are not known in classical ionic organic reactions. 1,5-Transposition of a radical center to a non-activated carbon atom are of great synthetic importance. It can be successfully applied for the introduction of different functional groups (oxygen, nitrogen, sulfur, halogens onto a carbon atom remote from the present functional group. In addition to functionalization of a remote non-activated carbon atom, the formation of new C-C bonds on the d-carbon atom have also been achieved. 1,5-Transposition of the radical centers takes place from alkoxyl, aminyl and carbon radicals to a remote carbon atom. Relocation of the radical centers preferentially involves 1,5-transfer of a hydrogen atom, although migrations of some other groups are known. The reactions of the carbon radical generated by 1,5-relocation of the radical center are presented and their synthetic applications are reviewed.

  19. Atom probe study on the bulk nanocomposite SmCo/Fe permanent magnet produced by ball-milling and warm compaction

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, X.Y., E-mail: xiangyuan.xiong@mcem.monash.edu.au [Monash Centre for Electron Microscopy, Monash University, Vic. 3800 (Australia); Department of Materials Engineering, Monash University, Vic. 3800 (Australia); Rong, C.B. [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States); Rubanov, S. [Electron Microscopy Unit, Bio21 Institute, University of Melbourne, Vic. 3052 (Australia); Zhang, Y. [Division of Materials Science and Engineering, Ames Laboratory, Iowa State University, Ames, IA 50011 (United States); Liu, J.P. [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States)

    2011-11-15

    The microstructure and compositions of the bulk nanocomposite SmCo/Fe permanent magnet were studied using transmission electron microscopy and 3-dimensional atom probe techniques. The excellent magnetic properties were related to the uniform nanocomposite structure with nanometer {alpha}-Fe particles uniformly distributed in the SmCo phase matrix. The {alpha}-Fe phase contained {approx}26 at% Co, and the SmCo phase contained {approx}19 at% Fe, confirming that the interdiffusion of Fe and Co atoms between the two phases occurred. The formation of the {alpha}-Fe(Co) phase explained why the saturation magnetization of the nanocomposite permanent magnet was higher than that expected from the original pure {alpha}-Fe and SmCo{sub 5} powders, which enhanced further the maximum energy product of the nanocomposite permanent magnet. - Highlights: > A uniform nanocomposite SmCo/{alpha}-Fe permanent magnet with high performance obtained. > The first quantitative analyses of interdiffusion of Fe and Co between the two phases presented. > The saturation magnetization of the nanocomposite enhanced by the resulting {alpha}-Fe(Co) phase.

  20. Determination of alpha-dose rates and chronostratigraphical study of travertine samples

    International Nuclear Information System (INIS)

    Oufni, L.; University Moulay Ismail, Errachidia; Misdaq, M.A.; Boudad, L.; Kabiri, L.

    2001-01-01

    Uranium and thorium contents in different layers of stratigraphical sedimentary deposits have been evaluated by using LR-115 type II and CR-39 solid state nuclear track detectors (SSNTD). A method has been developed for determining the alpha-dose rates of the sedimentary travertine samples. Using the U/Th dating method, we succeeded in age dating carbonated level sampled in the sedimentary deposits. Correlation between the stratigraphy, alpha-dose rates and age has been investigated. (author)

  1. High performance platinum single atom electrocatalyst for oxygen reduction reaction

    Science.gov (United States)

    Liu, Jing; Jiao, Menggai; Lu, Lanlu; Barkholtz, Heather M.; Li, Yuping; Wang, Ying; Jiang, Luhua; Wu, Zhijian; Liu, Di-Jia; Zhuang, Lin; Ma, Chao; Zeng, Jie; Zhang, Bingsen; Su, Dangsheng; Song, Ping; Xing, Wei; Xu, Weilin; Wang, Ying; Jiang, Zheng; Sun, Gongquan

    2017-07-01

    For the large-scale sustainable implementation of polymer electrolyte membrane fuel cells in vehicles, high-performance electrocatalysts with low platinum consumption are desirable for use as cathode material during the oxygen reduction reaction in fuel cells. Here we report a carbon black-supported cost-effective, efficient and durable platinum single-atom electrocatalyst with carbon monoxide/methanol tolerance for the cathodic oxygen reduction reaction. The acidic single-cell with such a catalyst as cathode delivers high performance, with power density up to 680 mW cm-2 at 80 °C with a low platinum loading of 0.09 mgPt cm-2, corresponding to a platinum utilization of 0.13 gPt kW-1 in the fuel cell. Good fuel cell durability is also observed. Theoretical calculations reveal that the main effective sites on such platinum single-atom electrocatalysts are single-pyridinic-nitrogen-atom-anchored single-platinum-atom centres, which are tolerant to carbon monoxide/methanol, but highly active for the oxygen reduction reaction.

  2. Influence of beta instabilities on the early stages of nucleation and growth of alpha in beta titanium alloys

    Science.gov (United States)

    Nag, Soumya

    Microstructural evolution in beta Titanium alloys is an important factor that governs the properties exhibited by them. Intricate understanding of complex phase transformations in these alloys is vital to tailor their microstructures and in turn their properties to our advantage. One such important subject of study is the nucleation and growth of alpha precipitates triggered by the compositional instabilities in the beta matrix, instilled in them during non equilibrium heat treatments. The present work is an effort to investigate such a phenomenon. Here studies have been conducted primarily on two different beta-Titanium alloys of commercial relevance- Ti5553 (Ti-5Al-5Mo-5V-3Cr-0.5Fe), an alloy used in the aerospace industry for landing gear applications and, TNZT (Ti-35Nb-7Zr-5Ta), a potential load bearing orthopedic implant alloy. Apart from the effect of thermal treatment on these alloys, the focus of this work is to study the interplay between different alpha and beta stabilizers present in them. For this, advanced nano-scale characterization tools such as High Resolution STEM, High Resolution TEM, EFTEM and 3D Atom Probe have been used to determine the structure, distribution and composition of the non equilibrium instabilities such as beta' and o, and also to investigate the subsequent nucleation of stable alpha. Thus in this work, very early stages of phase separation via spinodal decomposition and second phase nucleation in titanium alloys are successfully probed at an atomic resolution. For the first time, atomically resolved HRSTEM 'Z'-contrast image is recorded showing modulated structures within the as-quenched beta matrix. Also in the same condition HRTEM results showed the presence of nanoscale alpha regions. These studies are revalidated by conventional selected area diffraction and 3D atom probe reconstruction results. Also TEM dark field and selected are diffraction studies are conducted to understand the effect of quenching and subsequent aging of

  3. Topological Characterization of Carbon Graphite and Crystal Cubic Carbon Structures.

    Science.gov (United States)

    Siddiqui, Wei Gao Muhammad Kamran; Naeem, Muhammad; Rehman, Najma Abdul

    2017-09-07

    Graph theory is used for modeling, designing, analysis and understanding chemical structures or chemical networks and their properties. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms called edges. In this article, we study the chemical graphs of carbon graphite and crystal structure of cubic carbon. Moreover, we compute and give closed formulas of degree based additive topological indices, namely hyper-Zagreb index, first multiple and second multiple Zagreb indices, and first and second Zagreb polynomials.

  4. Polarizabilities and hyperpolarizabilities of the alkali metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Fuentealba, P. (Chile Univ., Santiago (Chile). Departamento de Fisica and Centro de Mecanica Cuantica Aplicada (CMCA)); Reyes, O. (Chile Univ., Santiago (Chile). Dept. de Fisica)

    1993-08-14

    The electric static dipole polarizability [alpha], quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability [gamma] have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability [gamma]. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author).

  5. Comparing and contrasting nuclei and cold atomic gases

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas; Jensen, Aksel Stenholm

    2013-01-01

    The experimental revolution in ultracold atomic gas physics over the past decades has brought tremendous amounts of new insight to the world of degenerate quantum systems. Here we compare and contrast the developments of cold atomic gases with the physics of nuclei since many concepts, techniques......, and nomenclatures are common to both fields. However, nuclei are finite systems with interactions that are typically much more complicated than those of ultracold atomic gases. The similarities and differences must therefore be carefully addressed for a meaningful comparison and to facilitate fruitful......, interactions, and relevant length and energy scales of cold atoms and nuclei. Next we address some attempts in nuclear physics to transfer the concepts of condensates in nuclei that can in principle be built from bosonic alpha-particle constituents. We also consider Efimov physics, a prime example of nuclear...

  6. Attachment of carbon nanotubes to atomic force microscope probes

    International Nuclear Information System (INIS)

    Gibson, Christopher T.; Carnally, Stewart; Roberts, Clive J.

    2007-01-01

    In atomic force microscopy (AFM) the accuracy of data is often limited by the tip geometry and the effect on this geometry of wear. One way to improve the tip geometry is to attach carbon nanotubes (CNT) to AFM tips. CNTs are ideal because they have a small diameter (typically between 1 and 20 nm), high aspect ratio, high strength, good conductivity, and almost no wear. A number of methods for CNT attachment have been proposed and explored including chemical vapour deposition (CVD), dielectrophoresis, arc discharge and mechanical attachment. In this work we will use CVD to deposit nanotubes onto a silicon surface and then investigate improved methods to pick-up and attach CNTs to tapping mode probes. Conventional pick-up methods involve using standard tapping mode or non-contact mode so as to attach only those CNTs that are aligned vertically on the surface. We have developed improved methods to attach CNTs using contact mode and reduced set-point tapping mode imaging. Using these techniques the AFM tip is in contact with a greater number of CNTs and the rate and stability of CNT pick-up is improved. The presence of CNTs on the modified AFM tips was confirmed by high-resolution AFM imaging, analysis of the tips dynamic force curves and scanning electron microscopy (SEM)

  7. General architecture of the alpha-helical globule.

    Science.gov (United States)

    Murzin, A G; Finkelstein, A V

    1988-12-05

    A model is presented for the arrangement of alpha-helices in globular proteins. In the model, helices are placed on certain ribs of "quasi-spherical" polyhedra. The polyhedra are chosen so as to allow the close packing of helices around a hydrophobic core and to stress the collective interactions of the individual helices. The model predicts a small set of stable architectures for alpha-helices in globular proteins and describes the geometries of the helix packings. Some of the predicted helix arrangements have already been observed in known protein structures; others are new. An analysis of the three-dimensional structures of all proteins for which co-ordinates are available shows that the model closely approximates the arrangements and packing of helices actually observed. The average deviations of the real helix axes from those in the model polyhedra is +/- 20 degrees in orientation and +/- 2 A in position (1 A = 0.1 nm). We also show that for proteins that are not homologous, but whose helix arrangements are described by the same polyhedron, the root-mean-square difference in the position of the C alpha atoms in the helices is 1.6 to 3.0 A.

  8. Magnetic and transport properties of Fe{sub {beta}}V{sub 1-{beta}} atom bridge constructed between an STM tip and a solid surface

    Energy Technology Data Exchange (ETDEWEB)

    Nakanishi, Hiroshi; Kasai, Hideaki E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp; Kishi, Tomoya; Dino, W.A.; Komori, Fumio; Okiji, Ayao

    2004-05-01

    We have investigated the magnetic and transport properties of an atom bridge made from magnetic materials, which is an atom-scale wire constructed between a scanning tunneling microscopy tip and a solid surface, with the aid of ab initio calculations. In the case of Fe{sub {beta}}V{sub 1-{beta}} alloy atom bridges, we have found that the value of the mean magnetic moment is similar to that of the corresponding alloy bulk, and the quantized conductance contribution from both the majority and minority spin electrons changes as {beta} changes. These properties are different from the case of Fe{sub 1-{alpha}}Ni{sub {alpha}} alloy atom bridge.

  9. Characterization of compositional modifications in metal-organic frameworks using carbon and alpha particle microbeams

    Science.gov (United States)

    Paneta, V.; Fluch, U.; Petersson, P.; Ott, S.; Primetzhofer, D.

    2017-08-01

    Zirconium-oxide based metal-organic frameworks (MOFs) were grown on p-type Si wafers. A modified linker molecule containing iodine was introduced by post synthetic exchange (PSE). Samples have been studied using Rutherford Backscattering Spectrometry (RBS) and Particle Induced X-ray Emission (PIXE) techniques, employing the 5 MV 15SDH-2 Pelletron Tandem accelerator at the Ångström laboratory. The degree of post synthetic uptake of the iodine-containing linker has been investigated with both a broad beam and a focused beam of carbon and alpha particles targeting different kind of MOF crystals which were of ∼1-10 μm in size, depending on the linker used. Iodine concentrations in MOF crystallites were also measured by Nuclear Magnetic Resonance Spectroscopy (NMR) and are compared to the RBS results. In parallel to the ion beam studies, samples were investigated by Scanning Electron Microscopy (SEM) to quantify possible crystallite clustering, develop optimum sample preparation routines and to characterize the potential ion beam induced sample damage and its dependence on different parameters. Based on these results the reliability and accuracy of ion beam data is assessed.

  10. Modeling and optimization of atomic layer deposition processes on vertically aligned carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Nuri Yazdani

    2014-03-01

    Full Text Available 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.

  11. 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.

  12. Radiation damage in carbon-carbon composites: Structure and property effects

    International Nuclear Information System (INIS)

    Burchell, T.D.

    1995-01-01

    Carbon-carbon composites are an attractive choice for fusion reactor plasma facing components because of their low atomic number, superior thermal shock resistance, and low neutron activation. Next generation tokamak reactors such as the International Thermonuclear Experimental Reactor (ITER), will require high thermal conductivity carbon-carbon composites and other materials, such as beryllium, to protect their plasma facing components from the anticipated high heat fluxes. Moreover, ignition machines such as ITER will produce a large neutron flux. Consequently, the influence of neutron damage on the structure and properties of carbon-carbon composite materials must be evaluated. Data from two irradiation experiments are reported and discussed here. Carbon-carbon composite materials were irradiated in target capsules in the High Flux Isotope Reactor (HAIR) at Oak Ridge National Laboratory (ORAL). A peak damage dose of 4.7 displacements per atom (da) at an irradiation temperature of ∼600 degrees C was attained. The carbon materials irradiated here included unidirectional, two- directional, and three-directional carbon-carbon composites. Irradiation induced dimensional changes are reported for the materials and related to single crystal dimensional changes through fiber and composite structural models. Moreover, carbon-carbon composite material dimensional changes are discussed in terms of their architecture, fiber type, and graphitization temperature. Neutron irradiation induced reductions in the thermal conductivity of two, three-directional carbon-carbon composites are reported, and the recovery of thermal conductivity due to thermal annealing is demonstrated. Irradiation induced strength changes are reported for several carbon-carbon composite materials and are explained in terms of in-crystal and composite structural effects

  13. Current-induced dynamics in carbon atomic contacts

    DEFF Research Database (Denmark)

    Lu, Jing Tao; Gunst, Tue; Brandbyge, Mads

    2011-01-01

    voltage, which can be used to explore current-induced vibrational instabilities due the NC/BP forces. Furthermore, using tight-binding and the Brenner potential we illustrate how Langevin-type molecular-dynamics calculations including the Joule heating effect for the carbon-chain systems can be performed...... be used to explore current-induced dynamics and instabilities. We find instabilities at experimentally relevant bias and gate voltages for the carbon-chain system. © 2011 Lü et al....... carbon chain connecting electrically gated graphene electrodes. This illustrates how the device stability can be predicted solely from the modes obtained from the Langevin equation, including the current-induced forces. We point out that the gate offers control of the current, independent of the bias...

  14. Mechanism of formation and spatial distribution of lead atoms in quartz tube atomizers

    Science.gov (United States)

    Johansson, M.; Baxter, D. C.; Ohlsson, K. E. A.; Frech, W.

    1997-05-01

    The cross-sectional and longitudinal spatial distributions of lead atoms in a quartz tube (QT) atomizers coupled to a gas chromatograph have been investigated. A uniform analyte atom distribution over the cross-section was found in a QT having an inner diameter (i.d.) of 7 mm, whereas a 10 mm i.d. QT showed an inhomogeneous distribution. These results accentuate the importance of using QTs with i.d.s below 10 mm to fulfil the prerequirement of the Beer—Lambert law to avoid bent calibration curves. The influence of the make up gas on the formation of lead atoms from alkyllead compounds has been studied, and carbon monoxide was found equally efficient in promoting free atom formation as hydrogen. This suggests that hydrogen radicals are not essential for mediating the atomization of alkyllead in QT atomizers at ˜ 1200 K. Furthermore, thermodynamic equilibrium calculations describing the investigated system were performed supporting the experimental results. Based on the presented data, a mechanism for free lead atom formation in continuously heated QT atomizers is proposed; thermal atomization occurs under thermodynamic equilibrium conditions in a reducing gas. The longitudinal atom distribution has been further investigated applying other make up gases, N 2 and He. These results show the effect of the influx of atmospheric oxygen on the free lead atom formation. Calculations of the partial pressure of oxygen in the atomizer gas phase assuming thermodynamic equilibrium have been undertaken using a convective-diffusional model.

  15. A new method of alpha ray measurement using a Quadrupole Mass Spectrometer

    International Nuclear Information System (INIS)

    Iwata, Y.; Inoue, Y.; Minowa, M.

    2007-01-01

    We propose a new method of alpha (α)-ray measurement that detects helium atoms with a Quadrupole Mass Spectrometer (QMS). A demonstration is undertaken with a plastic-covered 241 Am α-emitting source to detect α-rays stopped in the capsule. We successfully detect helium atoms that diffuse out of the capsule by accumulating them for 1-20h in a closed chamber. The detected amount is found to be proportional to the accumulation time. Our method is applicable to probe α-emitting radioactivity in bulk material

  16. The annealing of interstitial carbon atoms in high-resistivity n-type silicon after proton irradiation

    CERN Document Server

    Kuhnke, M; Lindström, G

    2002-01-01

    The annealing of interstitial carbon C sub i after 7-10 MeV and 23 GeV proton irradiations at room temperature in high-resistivity n-type silicon is investigated. Deep level transient spectroscopy is used to determine the defect parameters. The annealing characteristics of the impurity defects C sub i , C sub i C sub s , C sub i O sub i and VO sub i suggest that the mobile C sub i atoms are also captured at divacancy VV sites at the cluster peripheries and not only at C sub s and O sub i sites in the silicon bulk. The deviation of the electrical filling characteristic of C sub i from the characteristic of a homogeneously distributed defect can be explained by an aggregation of C sub i atoms in the environment of the clusters. The capture rate of electrons into defects located in the cluster environment is reduced due to a positive space charge region surrounding the negatively charged cluster core. The optical filling characteristic of C sub i suggests that the change of the triangle-shaped electric field dis...

  17. Alpha decay of {sup 181}Pb

    Energy Technology Data Exchange (ETDEWEB)

    Davids, C.N.; Henderson, D.J.; Hermann, R. [and others

    1995-08-01

    The {alpha}-decay energy of {sup 181}Pb was measured as 7211(10) keV and 7044(15). In the first study the isotope was produced in {sup 90}Zr bombardments of {sup 94}Mo and, after traversing a velocity filter, implanted in a position-sensitive Si detector; no half life for {sup 181}Pb was reported. In the second study the isotope was produced in {sup 40}Ca bombardments of {sup 144}Sm and transported to a position in front of a Si(Au) surface barrier detector with a fast He-gas-jet capillary system; an estimate of 50 ms was determined for the {sup 181}Pb half life. Recently we investigated {sup 181}Pb {alpha} decay at ATLAS as part of a survey experiment in which a l-pnA beam of 400-MeV {sup 92}Mo was used to irradiate targets of {sup 89}Y, {sup 90,92,94}Zr, and {sup 92}Mo to examine yields for one- and two-nucleon evaporation products from symmetric cold-fusion reactions. Recoiling nuclei of interest were passed through the Fragment Mass Analyzer and implanted in a double-sided silicon strip detector for {alpha}-particle assay. With the {sup 90}Zr target we observed a group at 7065(20) keV which was correlated with A = 181 recoils and had a half life of 45(20) ms. Our new results for {sup 181}Pb therefore agreed with those of the second study. There was no indication in the {sup 90}Zr + {sup 92}Mo data of the 7211(10)-keV {alpha} particles seen by Keller et al. The interested reader is referred to the 1993 atomic mass evaluation wherein the input {alpha}-decay energies and resultant masses of the light Pb isotopes (including {sup 181}Pb) are discussed.

  18. Dynamic response of a carbon nanotube-based rotary nano device with different carbon-hydrogen bonding layout

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Hang [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Cai, Kun, E-mail: caikun1978@163.com [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Wan, Jing [College of Water Resources and Architectural Engineering, Northwest A& F University, Yangling 712100 (China); Gao, Zhaoliang, E-mail: coopcg@163.com [Institute of Soil and Water Conservation, Northwest A& F University, Yangling, 712100 (China); Chen, Zhen [State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024 (China)

    2016-03-01

    Graphical abstract: - Highlights: • The rotational transmission performance of a rotational transmission system (RTS) with different types of C−H bonding layouts on the edge of motor and rotor is investigated using MD simulation method. • The L–J interaction between covalently bonded hydrogen atoms and sp1 carbon atoms is too weak to support a stable rotational transmission when only the motor or rotor has bonded hydrogen atoms. • When both the motor and rotor have the same C−H bonding layout on their adjacent ends, a stable output rotational speed of rotor can be obtained. • A low input rotational speed (e.g., 100 GHz) would lead to a synchronous rotational transmission if the system has (+0.5H) C−H bonding layout. - Abstract: In a nano rotational transmission system (RTS) which consists of a single walled carbon nanotube (SWCNT) as the motor and a coaxially arranged double walled carbon nanotube (DWCNT) as a bearing, the interaction between the motor and the rotor in bearing, which has great effects on the response of the RTS, is determined by their adjacent edges. Using molecular dynamics (MD) simulation, the interaction is analyzed when the adjacent edges have different carbon-hydrogen (C−H) bonding layouts. In the computational models, the rotor in bearing and the motor with a specific input rotational speed are made from the same armchair SWCNT. Simulation results demonstrate that a perfect rotational transmission could happen when the motor and rotor have the same C−H bonding layout on their adjacent ends. If only half or less of the carbon atoms on the adjacent ends are bonded with hydrogen atoms, the strong attraction between the lower speed (100 GHz) motor and rotor leads to a synchronous rotational transmission. If only the motor or the rotor has C−H bonds on their adjacent ends, no rotational transmission happens due to weak interaction between the bonded hydrogen atoms on one end with the sp{sup 1} bonded carbon atoms on the other

  19. Effect of hydrostatic pressure on the tensile properties of alpha uranium

    International Nuclear Information System (INIS)

    Chandler, E.F.

    1984-09-01

    This report examines the effect of a superimposed hydrostatic pressure on the tensile properties of four grades of rolled unalloyed alpha uranium. The materials varied in carbon content and heat treatment. The principal effect of increasing pressure is an increase in the ductility of the materials. By not heat treating the uranium after the rolling process, the interaction of carbon content on mechanical properties is almost nullified. (author)

  20. Synthesis of triblock and random copolymers of 4- acetoxystyrene and styrene by living atom transfer radical polymerization

    DEFF Research Database (Denmark)

    Gao, Bo; Chen, Xianyi; Ivan, Bela

    1997-01-01

    Triblock copolymers containing polystyrene (PSt) and poly(4-acetoxystyrene) (PAcOSt) segments have been prepared by atom transfer radical polymerization (ATRP). In the first step one of the two monomers was polymerized in bulk using the initiating system alpha,alpha'-dibromo-p-xylene/CuBr/2,2'-bi...

  1. Techniques for measuring the alpha-particle distribution in magnetically confined plasmas

    International Nuclear Information System (INIS)

    Post, D.E.; Mikkelsen, D.R.; Hulse, R.A.; Stewart, L.D.; Weisheit, J.C.

    1979-10-01

    Methods are proposed for measuring the alpha-particle distribution in magnetically confined fusion plasmas using neutral-atom doping beams, ultraviolet spectroscopy, and neutral particle detectors. In the first method single charge exchange reactions, A 0 + He ++ - > A + (He + )*, are used to populate the n=2 and n=3 levels of He + . The ultraviolet photons from the decaying excited states are Doppler shifted by 5 to 10 Angstroms from those produced by the thermalized alpha-particle ash. In the second method double charge exchange reactions, A 0 + He ++ - > A ++ + He 0 , enable fast neutralized alpha-particles to escape from the plasma and be detected by neutral particle analysers. Detector configurations are analyzed, count rates are estimated and their detectability is discussed. A preliminary analysis of the feasibility of the required neutral beams is presented, and exploratory experiments on existing devices are suggested

  2. Alpha-particle autoradiography by solid state track detectors to spatial distribution of radioactivity in alpha-counting source

    International Nuclear Information System (INIS)

    Ishigure, Nobuhito; Nakano, Takashi; Enomoto, Hiroko; Koizumi, Akira; Miyamoto, Katsuhiro

    1989-01-01

    A technique of autoradiography using solid state track detectors is described by which spatial distribution of radioactivity in an alpha-counting source can easily be visualized. As solid state track detectors, polymer of allyl diglycol carbonate was used. The advantage of the present technique was proved that alpha-emitters can be handled in the light place alone through the whole course of autoradiography, otherwise in the conventional autoradiography the alpha-emitters, which requires special carefulness from the point of radiation protection, must be handled in the dark place with difficulty. This technique was applied to rough examination of self-absorption of the plutonium source prepared by the following different methods; the source (A) was prepared by drying at room temperature, (B) by drying under an infrared lamp, (C) by drying in ammonia atmosphere after redissolving by the addition of a drop of distilled water which followed complete evaporation under an infrared lamp and (D) by drying under an infrared lamp after adding a drop of diluted neutral detergent. The difference in the spatial distributions of radioactivity could clearly be observed on the autoradiographs. For example, the source (C) showed the most diffuse distribution, which suggested that the self-absorption of this source was the smallest. The present autoradiographic observation was in accordance with the result of the alpha-spectrometry with a silicon surface-barrier detector. (author)

  3. Evaluation of an improved atomic data basis for carbon in UEDGE emission modeling for L-mode plasmas in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    Muñoz Burgos, J.M., E-mail: munozj@fusion.gat.com [Oak Ridge Institute for Science and Education, Oak Ridge, TN 37831-0117 (United States); Leonard, A.W. [General Atomics, P.O. Box 85608, San Diego, CA 92186-5608 (United States); Loch, S.D.; Ballance, C.P. [Auburn University, Auburn, AL 36849 (United States)

    2013-07-15

    New scaled carbon atomic electron-impact excitation data is utilized to evaluate comparisons between experimental measurements and fluid emission modeling of detached plasmas at DIII-D. The C I and C II modeled emission lines for 909.8 and 514.7 nm were overestimated by a factor of 10–20 than observed experimentally for the inner leg, while the outer leg was within a factor of 2. Due to higher modeled emissions, a previous study using the UEDGE code predicted that a higher amount of carbon was required to achieve a detached outboard divertor plasma in L-mode at DIII-D. The line emission predicted by using the new scaled carbon data yields closer results when compared against experiment. We also compare modeling and measurements of D{sub α} emission from neutral deuterium against predictions from newly calculated R-Matrix with pseudostates data available at the ADAS database.

  4. Background of SAM atom-fraction profiles

    International Nuclear Information System (INIS)

    Ernst, Frank

    2017-01-01

    Atom-fraction profiles acquired by SAM (scanning Auger microprobe) have important applications, e.g. in the context of alloy surface engineering by infusion of carbon or nitrogen through the alloy surface. However, such profiles often exhibit an artifact in form of a background with a level that anti-correlates with the local atom fraction. This article presents a theory explaining this phenomenon as a consequence of the way in which random noise in the spectrum propagates into the discretized differentiated spectrum that is used for quantification. The resulting model of “energy channel statistics” leads to a useful semi-quantitative background reduction procedure, which is validated by applying it to simulated data. Subsequently, the procedure is applied to an example of experimental SAM data. The analysis leads to conclusions regarding optimum experimental acquisition conditions. The proposed method of background reduction is based on general principles and should be useful for a broad variety of applications. - Highlights: • Atom-fraction–depth profiles of carbon measured by scanning Auger microprobe • Strong background, varies with local carbon concentration. • Needs correction e.g. for quantitative comparison with simulations • Quantitative theory explains background. • Provides background removal strategy and practical advice for acquisition

  5. Background of SAM atom-fraction profiles

    Energy Technology Data Exchange (ETDEWEB)

    Ernst, Frank

    2017-03-15

    Atom-fraction profiles acquired by SAM (scanning Auger microprobe) have important applications, e.g. in the context of alloy surface engineering by infusion of carbon or nitrogen through the alloy surface. However, such profiles often exhibit an artifact in form of a background with a level that anti-correlates with the local atom fraction. This article presents a theory explaining this phenomenon as a consequence of the way in which random noise in the spectrum propagates into the discretized differentiated spectrum that is used for quantification. The resulting model of “energy channel statistics” leads to a useful semi-quantitative background reduction procedure, which is validated by applying it to simulated data. Subsequently, the procedure is applied to an example of experimental SAM data. The analysis leads to conclusions regarding optimum experimental acquisition conditions. The proposed method of background reduction is based on general principles and should be useful for a broad variety of applications. - Highlights: • Atom-fraction–depth profiles of carbon measured by scanning Auger microprobe • Strong background, varies with local carbon concentration. • Needs correction e.g. for quantitative comparison with simulations • Quantitative theory explains background. • Provides background removal strategy and practical advice for acquisition.

  6. Synthesis and characterization of f-element iodate architectures with variable dimensionality, alpha- and beta-Am(IO3)3.

    Science.gov (United States)

    Runde, Wolfgang; Bean, Amanda C; Brodnax, Lia F; Scott, Brian L

    2006-03-20

    Two americium(III) iodates, beta-Am(IO3)3 (I) and alpha-Am(IO3)3 (II), have been prepared from the aqueous reactions of Am(III) with KIO(4) at 180 degrees C and have been characterized by single-crystal X-ray diffraction, diffuse reflectance, and Raman spectroscopy. The alpha-form is consistent with the known structure type I of anhydrous lanthanide iodates. It consists of a three-dimensional network of pyramidal iodate groups bridging [AmO8] polyhedra where each of the americium ions are coordinated to eight iodate ligands. The beta-form reveals a novel architecture that is unknown within the f-element iodate series. beta-Am(IO3)3 exhibits a two-dimensional layered structure with nine-coordinate Am(III) atoms. Three crystallographically unique pyramidal iodate anions link the Am atoms into corrugated sheets that interact with one another through intermolecular IO3-...IO3- interactions forming dimeric I2O10 units. One of these anions utilizes all three O atoms to simultaneously bridge three Am atoms. The other two iodate ligands bridge only two Am atoms and have one terminal O atom. In contrast to alpha-Am(IO3)3, where the [IO3] ligands are solely corner-sharing with [AmO8] polyhedra, a complex arrangement of corner- and edge-sharing mu2- and mu3-[IO3] pyramids can be found in beta-Am(IO3)3. Crystallographic data: I, monoclinic, space group P2(1)/n, a = 8.871(3) A, b = 5.933(2) A, c = 15.315(4) A, beta = 96.948(4) degrees , V = 800.1(4) A(3), Z = 4; II, monoclinic, space group P2(1)/c, a = 7.243(2) A, b = 8.538(3) A, c = 13.513(5) A, beta = 100.123(6) degrees , V = 822.7(5) A(3), Z = 4.

  7. Do gamma rays and alpha particles cause different types of lung cancer? A comparison between atomic bomb survivors and uranium miners

    International Nuclear Information System (INIS)

    Land, C.E.

    1995-01-01

    Excess lung cancer risk has been associated with exposure to alpha particle radiation from inhaled radon daughter products among uranium miners in Czechoslovakia, Canada, the United States, and elsewhere, and with exposure to gamma rays and neutrons from the atomic bombings of Hiroshima and Nagasaki, Japan. Differences in distribution by histological type, as well as certain epidemiological differences, suggest the possibility of differences in the causation of radiation-induced lung cancer. An epidemiological analysis is summarised of results from a blind pathology panel review of tissue slides from lung cancer cases diagnosed in 108 Japanese A bomb survivors and 92 American uranium miners selected on the basis of radiation exposure, smoking history, sex, age, and source and quality of pathology material. Consensus diagnoses were obtained with respect to principal sub-type, including squamous cell cancer, small cell cancer, adenocarcinoma, and less frequent sub-types. The results were analysed in terms of population, radiation dose, and smoking history. As expected, the proportion of squamous cell cancer was positively related to smoking history in both populations. The relative frequencies of small cell cancer and adenocarcinoma were very different in the two populations, but this difference was adequately accounted for by differences in radiation dose (more specifically, dose-based relative risk estimates based on published risk coefficients). Data for the two populations conformed to a common pattern, in which radiation-induced cancers appeared more likely to be of the small-cell sub-type, and less likely to be adenocarcinomas. No additional explanation in terms of radiation quality (alpha particles or gamma rays), uniform or local irradiation, inhaled as against external radiation source, or other population differences, appeared to be required. (author)

  8. Carbon-coated ZnO mat passivation by atomic-layer-deposited HfO2 as an anode material for lithium-ion batteries.

    Science.gov (United States)

    Jung, Mi-Hee

    2017-11-01

    ZnO has had little consideration as an anode material in lithium-ion batteries compared with other transition-metal oxides due to its inherent poor electrical conductivity and large volume expansion upon cycling and pulverization of ZnO-based electrodes. A logical design and facile synthesis of ZnO with well-controlled particle sizes and a specific morphology is essential to improving the performance of ZnO in lithium-ion batteries. In this paper, a simple approach is reported that uses a cation surfactant and a chelating agent to synthesize three-dimensional hierarchical nanostructured carbon-coated ZnO mats, in which the ZnO mats are composed of stacked individual ZnO nanowires and form well-defined nanoporous structures with high surface areas. In order to improve the performance of lithium-ion batteries, HfO 2 is deposited on the carbon-coated ZnO mat electrode via atomic layer deposition. Lithium-ion battery devices based on the carbon-coated ZnO mat passivation by atomic layer deposited HfO 2 exhibit an excellent initial discharge and charge capacities of 2684.01 and 963.21mAhg -1 , respectively, at a current density of 100mAg -1 in the voltage range of 0.01-3V. They also exhibit cycle stability after 125 cycles with a capacity of 740mAhg -1 and a remarkable rate capability. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Moessbauer Study of Iron-Containing Carbon Nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Marco, J. F.; Gancedo, J. R. [CSIC, Instituto de Quimica-Fisica ' Rocasolano' (Spain); Hernando, A.; Crespo, P.; Prados, C.; Gonzalez, J. M. [Instituto de Magnetismo Aplicado (Spain); Grobert, N.; Terrones, M.; Walton, D. R. M.; Kroto, H. W. [University of Sussex, Fullerene Science Centre, School of Chemistry, Physics and Environmental Science (United Kingdom)

    2002-03-15

    {sup 57}Fe transmission Moessbauer at temperatures between 18 and 298 K and magnetic measurements have been used to characterize Fe-filled carbon nanotubes which were prepared by pyrolisis of Ferrocene + C{sub 60} at atmospheric pressure under an Ar atmosphere at 1050{sup o}C. The Moessbauer data have shown that the Fe phases encapsulated within the carbon nanotubes are {alpha}-Fe, Fe{sub 3}C and {gamma}-Fe. The magnetic results are compatible with the Moessbauer data. Taken together the results allow us to propose a simple picture of the distribution of iron phases within the carbon nanotubes which would consist of an {alpha}-Fe core surrounded by an {gamma}-Fe shell, finally covered by an Fe{sub 3}C layer.

  10. Surface and electron emission properties of hydrogen-free diamond-like carbon films investigated by atomic force microscopy

    International Nuclear Information System (INIS)

    Liu Dongping; Zhang, Sam; Ong, S.-E.; Benstetter, Guenther; Du Hejun

    2006-01-01

    In this study, we have deposited hydrogen-free diamond-like carbon (DLC) films by using DC magnetron sputtering of graphite target at various r.f. bias voltages. Surface and nanoscale emission properties of these DLC films have been investigated using a combination of atomic force microscopy (AFM)-based nanowear tests and conducting-AFM, by simultaneously measuring the topography and the conductivity of the samples. Nanowear tests show that these DLC films are covered with the thin (1.5-2.0 nm) graphite-like layers at surfaces. Compared to the film bulk structure, the graphite-like surface layers are more conductive. The graphite-like surface layers significantly influence the electron emission properties of these films. Low-energy carbon species can be responsible for the formation of graphite-like surface layers. Nanoscale electron emission measurements have revealed the inhomogeneous emission nature of these films. The low-field emission from these films can be attributed to the existence of sp 2 -configured nanoclusters inside the films

  11. Direct in situ observations of single Fe atom catalytic processes and anomalous diffusion at graphene edges

    Science.gov (United States)

    Zhao, Jiong; Deng, Qingming; Avdoshenko, Stanislav M.; Fu, Lei; Eckert, Jürgen; Rümmeli, Mark H.

    2014-01-01

    Single-atom catalysts are of great interest because of their high efficiency. In the case of chemically deposited sp2 carbon, the implementation of a single transition metal atom for growth can provide crucial insight into the formation mechanisms of graphene and carbon nanotubes. This knowledge is particularly important if we are to overcome fabrication difficulties in these materials and fully take advantage of their distinct band structures and physical properties. In this work, we present atomically resolved transmission EM in situ investigations of single Fe atoms at graphene edges. Our in situ observations show individual iron atoms diffusing along an edge either removing or adding carbon atoms (viz., catalytic action). The experimental observations of the catalytic behavior of a single Fe atom are in excellent agreement with supporting theoretical studies. In addition, the kinetics of Fe atoms at graphene edges are shown to exhibit anomalous diffusion, which again, is in agreement with our theoretical investigations. PMID:25331874

  12. A rational approach to predict and modulate stereolability of chiral alpha substituted ketones.

    Science.gov (United States)

    Cirilli, Roberto; Costi, Roberta; Di Santo, Roberto; Gasparrini, Francesco; La Torre, Francesco; Pierini, Marco; Siani, Gabriella

    2009-01-01

    An effective strategy to assess and modulate the stereolability of chiral alpha substituted ketones (C alpha SKs) is presented. The tendency of C alpha SKs to retain or change their configuration in water is analyzed as a function of thermodynamic proton-release attitude of alpha asymmetric atoms inside the structures by linear Brønsted correlations. A molecular modeling procedure was developed to analyze and suggest chemical modifications of C alpha SKs in view to obtain the desired grade of stereochemical stability. The approach was employed to predict the tendency to enantiomerize in water of two ketones (1 and 2) endowed with inhibitory activity against monoamine oxidases (MAOs) and the results were confirmed by experimental kinetics measurements performed in organic medium. As a demonstration of practical potentialities of the approach, four new structures, conceived as simple chemical modifications of 1 and 2, were designed to improve/reduce the stereostability grade of the starting anti-MAO ketones. The possibility to extend easily the procedure to other classes of C-H acids appears of interest.

  13. X-ray transition yields of low-Z kaonic atoms produced in Kapton

    Energy Technology Data Exchange (ETDEWEB)

    Bazzi, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Beer, G. [Department of Physics and Astronomy, University of Victoria, P.O. Box 1700 STN CNC, Victoria, BC V8W 2Y2 (Canada); Berucci, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Bombelli, L. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Bragadireanu, A.M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); IFIN-HH, Institutul National pentru Fizica si Inginerie Nucleara Horia Hulubei, Reactorului 30, Magurele (Romania); Cargnelli, M. [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Curceanu, C.; D' Uffizi, A. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Fiorini, C. [Politecnico di Milano, Dipartimento di Elettronica e Informazione, Piazza L. da Vinci 32, I-20133 Milano (Italy); Ghio, F. [INFN Sezione di Roma I and Instituto Superiore di Sanita, I-00161 Roma (Italy); Guaraldo, C. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Hayano, R.S. [University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo (Japan); Iliescu, M. [INFN, Laboratori Nazionali di Frascati, C.P. 13, Via E. Fermi 40, I-00044 Frascati (Roma) (Italy); Ishiwatari, T., E-mail: tomoichi.ishiwatari@assoc.oeaw.ac.at [Stefan-Meyer-Institut für subatomare Physik, Boltzmanngasse 3, 1090 Wien (Austria); Iwasaki, M. [RIKEN, Institute of Physical and Chemical Research, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); and others

    2013-10-23

    The X-ray transition yields of kaonic atoms produced in Kapton polyimide (C{sub 22}H{sub 10}N{sub 2}O{sub 5}) were measured for the first time in the SIDDHARTA experiment. X-ray yields of the kaonic atoms with low atomic numbers (Z=6,7, and 8) and transitions with high principal quantum numbers (n=5–8) were determined. The relative yields of the successive transitions in the same atoms and the yield ratios of carbon-to-nitrogen (C:N) and carbon-to-oxygen (C:O) for the same transitions were also determined. These X-ray yields provide important information for understanding the capture ratios and cascade mechanisms of kaonic atoms produced in a compound material, such as Kapton.

  14. Nickel doping effect on resistance to movement of edge dislocations in. cap alpha. -Fe

    Energy Technology Data Exchange (ETDEWEB)

    Brovkov, V.A.; Dudarev, E.F. (Tomskij Gosudarstvennyj Univ. (USSR). Sibirskij Fiziko-Tekhnicheskij Inst.)

    1984-03-01

    Microplastic deformation of ..cap alpha..-Fe polycrystals and Fe-Ni solid solutions is studied. Data on the concentration and temperature dependences of resistance to movement of edge dislocation at the expense of elastic interaction with atoms of the doping element are obtained.

  15. Development of optical monitor of alpha radiations based on CR-39.

    Science.gov (United States)

    Joshirao, Pranav M; Shin, Jae Won; Vyas, Chirag K; Kulkarni, Atul D; Kim, Hojoong; Kim, Taesung; Hong, Seung-Woo; Manchanda, Vijay K

    2013-11-01

    Fukushima accident has highlighted the need to intensify efforts to develop sensitive detectors to monitor the release of alpha emitting radionuclides in the environment caused by the meltdown of the discharged spent fuel. Conventionally, proportional counting, scintillation counting and alpha spectrometry are employed to assay the alpha emitting radionuclides but these techniques are difficult to be configured for online operations. Solid State Nuclear Track Detectors (SSNTDs) offer an alternative off line sensitive technique to measure alpha emitters as well as fissile radionuclides at ultra-trace level in the environment. Recently, our group has reported the first ever attempt to use reflectance based fiber optic sensor (FOS) to quantify the alpha radiations emitted from (232)Th. In the present work, an effort has been made to develop an online FOS to monitor alpha radiations emitted from (241)Am source employing CR-39 as detector. Here, we report the optical response of CR-39 (on exposure to alpha radiations) employing techniques such as Atomic Force Microscopy (AFM) and Reflectance Spectroscopy. In the present work GEANT4 simulation of transport of alpha particles in the detector has also been carried out. Simulation includes validation test wherein the projected ranges of alpha particles in the air, polystyrene and CR-39 were calculated and were found to agree with the literature values. An attempt has been further made to compute the fluence as a function of the incidence angle and incidence energy of alphas. There was an excellent correlation in experimentally observed track density with the simulated fluence. The present work offers a novel approach to design an online CR-39 based fiber optic sensor (CRFOS) to measure the release of nanogram quantity of (241)Am in the environment. © 2013 Elsevier Ltd. All rights reserved.

  16. Carbon nanotube junctions and devices

    NARCIS (Netherlands)

    Postma, H.W.Ch.

    2001-01-01

    In this thesis Postma presents transport experiments performed on individual single-wall carbon nanotubes. Carbon nanotubes are molecules entirely made of carbon atoms. The electronic properties are determined by the exact symmetry of the nanotube lattice, resulting in either metallic or

  17. Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

    Science.gov (United States)

    Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

    2017-06-27

    Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

  18. Investigation of the formation of Fe-filled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Reuther, H [Forschungszentrum Dresden-Rossendorf, PO Box 510119, D-01314 Dresden (Germany); Mueller, C; Leonhardt, A; Kutz, M C, E-mail: reuther@fzd.d [Leibniz-Institute of Solid State and Materials Research Dresden, PO Box 270116, D-01171 Dresden (Germany)

    2010-03-01

    The formation of Fe-filled carbon nanotubes by thermal decomposition of ferrocene combined with a Fe-catalyst-nanostructuring on an oxidized Si substrate is investigated in the temperature range of 1015 - 1200 K. The optimal growth conditions for aligned and homogeneous carbon nanotubes are found at 1103 K. Moessbauer spectroscopy (both in transmission geometry and CEMS) was used to analyze and quantify the different formed Fe-phases. In general, {alpha}-Fe, {gamma}-Fe and Fe{sub 3}C are found to form within the carbon nanotubes. Depending on the growth conditions their fractions vary strongly. Moreover, an alignment of the {alpha}-Fe in the tubes could be detected.

  19. Time-resolved and doppler-reduced laser spectroscopy on atoms

    International Nuclear Information System (INIS)

    Bergstroem, H.

    1991-10-01

    Radiative lifetimes have been studied in neutral boron, carbon, silicon and strontium, in singly ionized gadolinium and tantalum and in molecular carbon monoxide and C 2 . The time-resolved techniques were based either on pulsed lasers or pulse-modulated CW lasers. Several techniques have been utilized for the production of free atoms and ions such as evaporation into an atomic beam, sputtering in hollow cathodes and laser-produced plasmas. Hyperfine interactions in boron, copper and strontium have been examined using quantum beat spectroscopy, saturation spectroscopy and collimated atomic beam spectroscopy. Measurement techniques based on effusive hollow cathodes as well as laser produced plasmas in atomic physics have been developed. Investigations on laser produced plasmas using two colour beam deflection tomography for determination of electron densities have been performed. Finally, new possibilities for view-time-expansion in light-in-flight holography using mode-locked CW lasers have been demonstrated. (au)

  20. Investigation of the effective atomic numbers of dosimetric materials for electrons, protons and alpha particles using a direct method in the energy region 10 keV-1 GeV: a comparative study.

    Science.gov (United States)

    Kurudirek, Murat; Aksakal, Oğuz; Akkuş, Tuba

    2015-11-01

    A direct method has been used for the first time, to compute effective atomic numbers (Z eff) of water, air, human tissues, and some organic and inorganic compounds, for total electron proton and alpha particle interaction in the energy region 10 keV-1 GeV. The obtained values for Z eff were then compared to those obtained using an interpolation procedure. In general, good agreement has been observed for electrons, and the difference (%) in Z eff between the results of the direct and the interpolation method was found to be energy range from 10 keV to 1 MeV. More specifically, results of the two methods were found to agree well (Dif. energy region with respect to the total electron interaction. On the other hand, values for Z eff calculated using both methods for protons and alpha particles generally agree with each other in the high-energy region above 10 MeV.

  1. Development of thermal conditioning technology for Alpha-containment wastes: Alpha-contaminated waste incineration technology

    International Nuclear Information System (INIS)

    Kim, Joon Hyung; Kim, Jeong Guk; Yang, Hee Chul; Choi, Byung Seon; Jeong, Myeong Soo

    1999-03-01

    As the first step of a 3-year project named 'development of alpha-contaminated waste incineration technology', the basic information and data were reviewed, while focusing on establishment of R and D direction to develop the final goal, self-supporting treatment of α- wastes that would be generated from domestic nuclear industries. The status on α waste incineration technology of advanced states was reviewed. A conceptual design for α waste incineration process was suggested. Besides, removal characteristics of volatile metals and radionuclides in a low-temperature dry off-gas system were investigated. Radiation dose assessments and some modification for the Demonstration-scale Incineration Plant (DSIP) at Korea Atomic Energy Research Institute (KAERI) were also done

  2. Distribution of alpha3, alpha5 and alpha(v) integrin subunits in mature and immature human oocytes.

    Science.gov (United States)

    Capmany, G; Mart, M; Santaló, J; Bolton, V N

    1998-10-01

    The distribution of three integrin subunits, alpha3, alpha5 and alpha(v), in immature and mature human oocytes has been examined using immunofluorescence and confocal microscopy. The results demonstrate that both alpha5 and alpha(v) are present at the germinal vesicle stage, while alpha3 was only detected in oocytes after germinal vesicle breakdown, in metaphase I and II stage oocytes. The cortical concentration of integrin subunits alpha3 and alpha5 is consistent with their localization in the oolemma. In contrast, the homogeneous distribution of alpha(v) throughout the oocyte suggests the existence of cytoplasmic reservoirs of this protein in the oocyte.

  3. Atomic structure of non-stoichiometric transition metal carbides

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1981-10-01

    Different kinds of experimental studies of the atomic arrangement in non-stoichiometric transition metal carbides are proposed: the ordering of carbon vacancies and the atomic static displacements are the main subjects studied. Powder neutron diffraction on TiCsub(1-x) allowed us to determine the order-disorder transition critical temperature -Tsub(c) approximately 770 0 C- in the TiCsub(0.52-0.67) range, and to analyze at 300 K the crystal structure of long-range ordered samples. A neutron diffuse scattering quantitative study at 300 K of short-range order in TiCsub(0.76), TiCsub(0.79) and NbCsub(0.73) single crystals is presented: as in Ti 2 Csub(1+x) and Nb 6 C 5 superstructures, vacancies avoid to be on each side of a metal atom. Besides, the mean-square carbon atom displacements from their sites are small, whereas metal atoms move radially about 0.03 A away from vacancies. These results are in qualitative agreement with EXAFS measurements at titanium-K edge of TiCsub(1-x). An interpretation of ordering in term of short-range interaction pair potentials between vacancies is proposed [fr

  4. Atomic Layer Deposition of ZnO on Multi-walled Carbon Nanotubes and Its Use for Synthesis of CNT–ZnO Heterostructures

    Directory of Open Access Journals (Sweden)

    Li C

    2010-01-01

    Full Text Available Abstract In this article, direct coating of ZnO on PECVD-grown multi-walled carbon nanotubes (MWCNTs is achieved using atomic layer deposition (ALD. Transmission electron microscopy investigation shows that the deposited ZnO shell is continuous and uniform, in contrast to the previously reported particle morphology. The ZnO layer has a good crystalline quality as indicated by Raman and photoluminescence (PL measurements. We also show that such ZnO layer can be used as seed layer for subsequent hydrothermal growth of ZnO nanorods, resulting in branched CNT–inorganic hybrid nanostructures. Potentially, this method can also apply to the fabrication of ZnO-based hybrid nanostructures on other carbon nanomaterials.

  5. CIT alpha particle extraction and measurement: Low-Z ablation cloud profile simulation for alpha-particle diagnostics

    International Nuclear Information System (INIS)

    Gerdin, G.; Vahala, L.; El Cashlan, A.G.

    1990-01-01

    In order to determine the expected properties of the ablation cloud of low-Z pellets interacting with a thermonuclear plasma, which in turn is proposed as a charge-neutralization medium for confined alpha particles, a numerical program has been developed. The physical model for this program is based on Parks' low-Z pellet-plasma interaction model for the interior of the cloud adjacent to the pellet's surface out to the sonic surface (roughly, a millimeter in separation) and then propagating outward from this region using the conservation laws of enthalpy, momentum, and mass, along with the assumption of charge-state equilibrium. The effects of local heating by the plasma electrons slowing down in the cloud, and ionization of the ablatant material are treated self-consistently in the model. In collaboration with Dr. Paul Parks of General Atomics Corporation, a joint ODU-GAC research plan for modeling low-Z pellet-plasma interactions has been devised, and considerable progress has been made in its implementation. Recently, using a constraint in the ablatant flow, results from the program were obtained which could be compared with the results from the GAC experiments on TEXT. The predictions of the program are in pretty good agreement with the TEXT data as to the dimensions of the C +3 region of the cloud along the magnetic field. Also a small improvement has been made in the low-Z pellet plasma-penetration program, which brings the predictions of the model in closer agreement with the carbon pellet injection experiments on TFTR. 22 refs., 3 figs

  6. Irradiation-induced structure and property changes in tokamak plasma-facing, carbon-carbon composites

    International Nuclear Information System (INIS)

    Burchell, T.D.

    1994-01-01

    Carbon-carbon composites are an attractive choice for fusion reactor plasma-facing components because of their low atomic number, superior thermal shock resistance, and low neutron activation. Next generation plasma fusion reactors, such as the International Thermonuclear Experimental Reactor (ITER), will require advanced carbon-carbon composite materials possessing high thermal conductivity to manage the anticipated severe heat loads. Moreover, ignition machines such as ITER will produce large neutron fluxes. Consequently, the influence of neutron damage on the structure and properties of carbon-carbon composite materials must be evaluated. Data from two irradiation experiments are reported and discussed here. Carbon-carbon composite materials were irradiated in target capsules in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). A peak damage dose of 4.7 displacements per atom (dpa) at 600 degree C was attained. The carbon materials irradiated included uni-directional, two-directional, and three-directional carbon-carbon composites. Dimensional changes are reported for the composite materials and are related to single crystal dimensional changes through fiber and composite structural models. Moreover, the irradiation-induced dimensional changes are reported and discussed in terms of their architecture, fiber type, and graphitization temperature. The effect of neutron irradiation on thermal conductivity of two three-directional, carbon-carbon composites is reported and the recovery of thermal conductivity due to thermal annealing is discussed

  7. Range-energy relations and stopping powers of organic liquids and vapours for alpha particles

    International Nuclear Information System (INIS)

    Akhavan-Rezayat, A.; Palmer, R.B.J.

    1980-01-01

    Experimental range-energy relations are presented for alpha particles in methyl alcohol, propyl alcohol, dichloromethane, chloroform and carbon tetrachloride in both the liquid and vapour phases. Stopping power values for these materials and for oxygen gas over the energy range 1.0-8.0 MeV are also given. From these results stopping powers have been derived for the -CH 2 -group and for -Cl occurring in chemical combination in the liquid and vapour phases. The molecular stopping power in the vapour phase is shown to exceed that in the liquid phase by 2-6% below 2 MeV, reducing to negligible differences at about 5 MeV for the materials directly investigated and for the -Cl atom. No significant phase effect is observed for the -CH 2 -group, but it is noted that the uncertainties in the values of the derived stopping powers are much greater in this case. Comparison of the experimental molecular stopping powers with values calculated from elemental values using the Bragg additivity rule shows agreement for vapours but not for liquids. (author)

  8. Molecular dynamics simulation for the influence of incident angles of energetic carbon atoms on the structure and properties of diamond-like carbon films

    International Nuclear Information System (INIS)

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

    2014-01-01

    The influence of incident angles of energetic carbon atoms (0–60°) on the structure and properties of diamond-like carbon (DLC) films was investigated by the molecular dynamics simulation using a Tersoff interatomic potential. The present simulation revealed that as the incident angles increased from 0 to 60°, the surface roughness of DLC films increased and the more porous structure was generated. Along the growth direction of DLC films, the whole system could be divided into four regions including substrate region, transition region, stable region and surface region except the case at the incident angle of 60°. When the incident angle was 45°, the residual stress was significantly reduced by 12% with little deterioration of mechanical behavior. The further structure analysis using both the bond angles and bond length distributions indicated that the compressive stress reduction mainly resulted from the relaxation of highly distorted C–C bond length. - Highlights: • The dependence of films properties on different incident angles was investigated. • The change of incident angles reduced the stress without obvious damage of density. • The stress reduction attributed to the relaxation of highly distorted bond length

  9. 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

  10. Investigation of the self tempering effect of martensite by means of atom probe tomography

    International Nuclear Information System (INIS)

    Sackl, Stephanie; Clemens, Helmut; Primig, Sophie

    2015-01-01

    Self-tempering effects can be observed in steels with relatively high martensite start temperatures. After the formation of the first martensitic laths, carbon is able to diffuse in these laths during cooling, which can be attributed to sufficiently high temperatures. This effect cannot be observed in laths formed at lower temperatures. In steels containing up to 0.2 m.-% carbon, up to 90 % of the carbon atoms in the martensite segregate to dislocations during quenching. Due to its atomic resolution and sensitivity with respect to light elements, atom probe tomography is very well suited for the investigation of this phenomenon. In this study, the self-tempering effect in a quenched and tempered steel 42CrMo4 with a martensite start temperature of 310 C is investigated by means of atom probe tomography.

  11. Hydrogen Balmer alpha intensity distributions and line profiles from multiple scattering theory using realistic geocoronal models

    Science.gov (United States)

    Anderson, D. E., Jr.; Meier, R. R.; Hodges, R. R., Jr.; Tinsley, B. A.

    1987-01-01

    The H Balmer alpha nightglow is investigated by using Monte Carlo models of asymmetric geocoronal atomic hydrogen distributions as input to a radiative transfer model of solar Lyman-beta radiation in the thermosphere and atmosphere. It is shown that it is essential to include multiple scattering of Lyman-beta radiation in the interpretation of Balmer alpha airglow data. Observations of diurnal variation in the Balmer alpha airglow showing slightly greater intensities in the morning relative to evening are consistent with theory. No evidence is found for anything other than a single sinusoidal diurnal variation of exobase density. Dramatic changes in effective temperature derived from the observed Balmer alpha line profiles are expected on the basis of changing illumination conditions in the thermosphere and exosphere as different regions of the sky are scanned.

  12. Graph-theoretical concepts and physicochemical data

    Directory of Open Access Journals (Sweden)

    Lionello Pogliani

    2003-02-01

    Full Text Available Graph theoretical concepts have been used to model the molecular polarizabilities of fifty-four organic derivatives, and the induced dipole moment of a set of fifty-seven organic compounds divided into three subsets. The starting point of these modeling strategies is the hydrogen-suppressed chemical graph and pseudograph of a molecule, which works very well for second row atoms. From these types of graphs a set of graph-theoretical basis indices, the molecular connectivity indices, can be derived and used to model properties and activities of molecules. With the aid of the molecular connectivity basis indices it is then possible to build higher-order descriptors. The problem of 'graph' encoding the contribution of the inner-core electrons of heteroatoms can here be solved with the aid of odd complete graphs, Kp-(p-odd. The use of these graph tools allow to draw an optimal modeling of the molecular polarizabilities and a satisfactory modeling of the induced dipole moment of a wide set of organic derivatives.

  13. Resonant quantum transitions in trapped antihydrogen atoms.

    Science.gov (United States)

    Amole, C; Ashkezari, M D; Baquero-Ruiz, M; Bertsche, W; Bowe, P D; Butler, E; Capra, A; Cesar, C L; Charlton, M; Deller, A; Donnan, P H; Eriksson, S; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Humphries, A J; Isaac, C A; Jonsell, S; Kurchaninov, L; Little, A; Madsen, N; McKenna, J T K; Menary, S; Napoli, S C; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sarid, E; Shields, C R; Silveira, D M; Stracka, S; So, C; Thompson, R I; van der Werf, D P; Wurtele, J S

    2012-03-07

    The hydrogen atom is one of the most important and influential model systems in modern physics. Attempts to understand its spectrum are inextricably linked to the early history and development of quantum mechanics. The hydrogen atom's stature lies in its simplicity and in the accuracy with which its spectrum can be measured and compared to theory. Today its spectrum remains a valuable tool for determining the values of fundamental constants and for challenging the limits of modern physics, including the validity of quantum electrodynamics and--by comparison with measurements on its antimatter counterpart, antihydrogen--the validity of CPT (charge conjugation, parity and time reversal) symmetry. Here we report spectroscopy of a pure antimatter atom, demonstrating resonant quantum transitions in antihydrogen. We have manipulated the internal spin state of antihydrogen atoms so as to induce magnetic resonance transitions between hyperfine levels of the positronic ground state. We used resonant microwave radiation to flip the spin of the positron in antihydrogen atoms that were magnetically trapped in the ALPHA apparatus. The spin flip causes trapped anti-atoms to be ejected from the trap. We look for evidence of resonant interaction by comparing the survival rate of trapped atoms irradiated with microwaves on-resonance to that of atoms subjected to microwaves that are off-resonance. In one variant of the experiment, we detect 23 atoms that survive in 110 trapping attempts with microwaves off-resonance (0.21 per attempt), and only two atoms that survive in 103 attempts with microwaves on-resonance (0.02 per attempt). We also describe the direct detection of the annihilation of antihydrogen atoms ejected by the microwaves.

  14. The determination of $\\alpha_s$ by the ALPHA collaboration

    CERN Document Server

    Bruno, Mattia

    2016-01-01

    We review the ALPHA collaboration strategy for obtaining the QCD coupling at high scale. In the three-flavor effective theory it avoids the use of perturbation theory at $\\alpha > 0.2$ and at the same time has the physical scales small compared to the cutoff $1/a$ in all stages of the computation. The result $\\Lambda_\\overline{MS}^{(3)}=332(14)$~MeV is translated to $\\alpha_\\overline{MS}(m_Z)=0.1179(10)(2)$ by use of (high order) perturbative relations between the effective theory couplings at the charm and beauty quark "thresholds". The error of this perturbative step is discussed and estimated as $0.0002$.

  15. Atomic-absorption determination of mercury in geological materials by flame and carbon-rod atomisation after solvent extraction and using co-extracted silver as a matrix modifier

    Science.gov (United States)

    Sanzolone, R.F.; Chao, T.T.

    1983-01-01

    Based on modifications and expansion of the original Tindall's solvent extraction flame atomic-absorption procedure, an atomic-absorption spectrophotometric method has been developed for the determination of mercury in geological materials. The sample is digested with nitric and hydrochloric acids in a boiling water-bath. The solution is made ammoniacal and potassium iodide and silver nitrate are added. The mercury is extracted into isobutyl methyl ketone as the tetraiodomercurate(ll). Added silver is co-extracted with mercury and serves as a matrix modifier in the carbon-rod atomiser. The mercury in the isobutyl methyl ketone extract may be determined by either the flame- or the carbon-rod atomisation method, depending on the concentration level. The limits of determination are 0.05-10 p.p.m. of mercury for the carbon-rod atomisation and 1 -200 p.p.m. of mercury for the flame atomisation. Mercury values for reference samples obtained by replicate analyses are in good agreement with those reported by other workers, with relative standard deviations ranging from 2.3 to 0.9%. Recoveries of mercury spiked at two levels were 93-106%. Major and trace elements commonly found in geological materials do not interfere.

  16. Conformational analysis and electronic structure of chiral carbon and carbon nitride nanotubes

    Directory of Open Access Journals (Sweden)

    Cristiano Geraldo de Faria

    2011-12-01

    Full Text Available Geometry and electronic structure of chiral carbon and carbon nitride (CNx nanotubes were investigated through quantum chemical methods. Finite nanotubes with diameters ranging from 5 to 10 Å and containing up to 500 atoms were considered. CNx structures were built through random substitution of carbon atoms by nitrogen. The molecules were fully optimized by semi-empirical quantum chemical method (PM3. Our results show that the energy associated with nitrogen incorporation depends strongly upon the tube helicity and diameter. The doping of nanotubes with nitrogen contributes to reduce the stress caused by the small diameter of the studied systems. Density of States (DOS results for pure carbon and CNx nanostructures, obtained through DFT and Hartree-Fock calculations, were analyzed. The introduction of nitrogen in the tube produce states in the gap region which characterizes the metallic behavior, as expected for these systems after N-doping.

  17. A rechargeable carbon-oxygen battery

    DEFF Research Database (Denmark)

    2014-01-01

    The invention relates to a rechargeable battery and a method to operate a rechargeable battery having high efficiency and high energy density for storing energy. The battery stores electrical energy in the bonds of carbon and oxygen atoms by converting carbon dioxide into solid carbon and oxygen....

  18. Atomic bonding between metal and graphene

    KAUST Repository

    Wang, Hongtao

    2013-03-07

    To understand structural and chemical properties of metal-graphene composites, it is crucial to unveil the chemical bonding along the interface. We provide direct experimental evidence of atomic bonding between typical metal nano structures and graphene, agreeing well with density functional theory studies. Single Cr atoms are located in the valleys of a zigzag edge, and few-atom ensembles preferentially form atomic chains by self-assembly. Low migration barriers lead to rich dynamics of metal atoms and clusters under electron irradiation. We demonstrate no electron-instigated interaction between Cr clusters and pristine graphene, though Cr has been reported to be highly reactive to graphene. The metal-mediated etching is a dynamic effect between metal clusters and pre-existing defects. The resolved atomic configurations of typical nano metal structures on graphene offer insight into modeling and simulations on properties of metal-decorated graphene for both catalysis and future carbon-based electronics. © 2013 American Chemical Society.

  19. Combustor exhaust-emissions and blowout-limits with diesel number 2 and Jet A fuels utilizing air-atomizing and pressure-atomizing nozzles

    Science.gov (United States)

    Ingebo, R. D.; Norgren, C. T.

    1975-01-01

    The effect of fuel properties on exhaust emissions and blowout limits of a high-pressure combustor segment is evaluated using a splash-groove air-atomizing fuel injector and a pressure-atomizing simplex fuel nozzle to burn both diesel number 2 and Jet A fuels. Exhaust emissions and blowout data are obtained and compared on the basis of the aromatic content and volatility of the two fuels. Exhaust smoke number and emission indices for oxides of nitrogen, carbon monoxide, and unburned hydrocarbons are determined for comparison. As compared to the pressure-atomizing nozzle, the air-atomizing nozzle is found to reduce nitrogen oxides by 20%, smoke number by 30%, carbon monoxide by 70%, and unburned hydrocarbons by 50% when used with diesel number 2 fuel. The higher concentration of aromatics and lower volatility of diesel number 2 fuel as compared to Jet A fuel appears to have the most detrimental effect on exhaust emissions. Smoke number and unburned hydrocarbons are twice as high with diesel number 2 as with Jet A fuel.

  20. Towards weighing individual atoms by high-angle scattering of electrons

    Energy Technology Data Exchange (ETDEWEB)

    Argentero, G.; Mangler, C.; Kotakoski, J.; Eder, F.R.; Meyer, J.C., E-mail: Jannik.Meyer@univie.ac.at

    2015-04-15

    We consider theoretically the energy loss of electrons scattered to high angles when assuming that the primary beam can be limited to a single atom. We discuss the possibility of identifying the isotopes of light elements and of extracting information about phonons in this signal. The energy loss is related to the mass of the much heavier nucleus, and is spread out due to atomic vibrations. Importantly, while the width of the broadening is much larger than the energy separation of isotopes, only the shift in the peak positions must be detected if the beam is limited to a single atom. We conclude that the experimental case will be challenging but is not excluded by the physical principles as far as considered here. Moreover, the initial experiments demonstrate that the separation of gold and carbon based on a signal that is related to their mass, rather than their atomic number. - Highlights: • We explore how energy loss spectroscopy could be used to obtain information about the mass, rather than the charge, of atoms. • The dose and precision that would be needed to distinguish between the two isotopes of carbon, C12 and C13, is estimated. • Signal broadening due to phonons is included in the calculation. • Initial experiments show the separation between gold and carbon based on their mass rather than charge.

  1. A contribution to the structural and kinetic study of the slow transformation of an iron or uranium alpha crystal; Contribution a l'etude structurale et cinetique de la transformation lente d'un cristal de fer alpha ou d'uranium alpha

    Energy Technology Data Exchange (ETDEWEB)

    Donze, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-12-15

    1- During the course of the work reported, we observed and studied a curious phenomenon of regeneration of an iron or uranium {alpha} crystal in the double transformation of iron or uranium: {alpha} {yields} {gamma} {yields} {alpha} and {alpha} {yields} {beta} {yields} {alpha} respectively. We have demonstrated that this phenomenon does not occur with very pure metals, but only in the case of metals containing impurities, and more particularly, containing carbon. The monocrystal is not regenerated unless care is taken not to exceed final transformation temperatures by more than a few degrees. The same phenomenon is encountered in polycrystalline compounds: the orientation of the crystals is maintained, though the respective grain positions ('joints') are considerably displaced. 2- Kinetic study of the transformation at cooling, on the one hand, and the analysis of the texture at the {gamma} phase (iron) on the other, show that regeneration results from the conservation of the phase {alpha} germs at the high temperature phase. They appear to be relatively stable because they had retained their properties at the end of 24 hours at the experiment temperature. 3- Study of the twin crystals of {gamma} iron engendered by the transformation {alpha} {yields} {gamma} demonstrated that there is no orientation relationship in the transformation: {alpha} {yields} {gamma} of pure iron. 4- Thanks to the production of an epitaxic oxide film on the surface of {gamma} iron, we were able to evidence a new type of iron transformation twinned crystal which grows in one direction (110) and is in contact also at 110. Formed of very thin lamina, these crystals are very instable and become penetrant, each element - much larger - consisting of the increased thickness of a certain number of lamina. (author) [French] 1- Au cours de ce travail, nous avons observe et etudie un curieux phenomene de regeneration d'un cristal unique de fer {alpha} ou d'uranium {alpha} au cours de la double

  2. Lyman-alpha detector designed for rocket measurements of the direct solar radiation at 121.5 nm

    International Nuclear Information System (INIS)

    Guineva, V.; Tashev, V.; Witt, G.; Gumbel, J.; Khaplanov, M.

    2007-01-01

    Rocket measurements of the direct Lyman-alpha radiation penetrating in the atmosphere were planned during the HotPay I rocket experiment, June 2006, Project ASLAF (Attenuation of the Solar Lyman-Alpha Flux), Andoya Rocket Range (ARR), Norway. The basic goal of ASLAF project was the study of the processes in the summer mesosphere and thermosphere (up to 110 km), at high latitudes using the Lyman-alpha measurements. The resonance transition 2 P- 2 S of the atomic hydrogen (Lyman-alpha emission) is the strongest and most conspicuous feature in the solar EUV spectrum. Due to the favourable circumstance, that the Lyman-alpha wavelength (121.5 nm) coincides with a minimum of the O 2 absorption spectrum, the direct Lyman-alpha radiation penetrates well in the mesosphere. The Lyman-alpha radiation is the basic agent of the NO molecules ionization, thus generating the ionospheric D-layer, and of the water vapour photolysis, being one of the main H 2 O loss processes. The Lyman-alpha radiation transfer depends on the resonance scattering from the hydrogen atoms in the atmosphere and on the O 2 absorption. Since the Lyman-alpha extinction in the atmosphere is a measure for the column density of the oxygen molecules, the atmospheric temperature profile can be calculated thereof. The detector of solar Lyman-alpha radiation was manufactured in the Stara Zagora Department of the Solar-Terrestrial Influences Laboratory (STIL). Its basic part is an ionization chamber, filled in with NO. A 60 V power supply is applied to the chamber. The produced photoelectric current from the sensor is fed to a 2-channels amplifier, providing an analogue signal. The characteristics of the Lyman-alpha detector were studied. It passed successfully all tests and the results showed that the instrument could be used in rocket experiments to measure the Lyman-alpha flux. From the measurements of the detector, the Lyman-alpha vertical profile can be obtained. The forthcoming scientific data analysis will

  3. The use of alpha-methyl-D-glucoside, a synthetic analogue of maltose, as inducer of amylase by Aspergillus sp in solid-state and submerged fermentations

    Directory of Open Access Journals (Sweden)

    Fabiana G. Moreira

    2001-03-01

    Full Text Available The use of a methyl-D-glucoside (alphaMG, a synthetic analogue of maltose, as carbon source and inducer of amylase synthesis to several species of Aspergillus was studied in submerged and solid-state fermentations. Among a group of ten species, A. tamarii, A. fumigatus and A. flavus were able to produce biomass and high specific amylolytic activity in submerged cultures containing alphaMG as the only carbon source. In solid state fermentation, the enrichment of basal wheat bran or corn cob medium with alphaMG increased up to 3 times the production of amylases. In both submerged and solid state fermentations, alphaMG was more effective inducer of amylases than maltose and starch.

  4. Fabrication, characterization, and photocatalytic property of {alpha}-Fe{sub 2}O{sub 3}/graphene oxide composite

    Energy Technology Data Exchange (ETDEWEB)

    Li Hong; Zhao Qidong; Li Xinyong, E-mail: xinyongli@hotmail.com [School of Environmental Science and Technology, Dalian University of Technology, State Key Laboratory of Fine Chemical, Key Laboratory of Industrial Ecology and Environmental Engineering (MOE) (China); Zhu Zhengru [Research Center of Hydrology and Engineering, Academy of City and Environment, Liaoning Normal University (China); Tade, Moses; Liu Shaomin, E-mail: shaomin.liu@curtin.edu.au [Curtin University, Department of Chemical Engineering (Australia)

    2013-06-15

    Spindle-shaped microstructure of {alpha}-Fe{sub 2}O{sub 3} was successfully synthesized by a simple hydrothermal method. The {alpha}-Fe{sub 2}O{sub 3}/graphene oxide (GO) composites was prepared using a modified Hummers' strategy. The properties of the samples were systematically investigated by X-ray powder diffraction (XRD), UV-Vis diffuse reflectance spectrophotometer, transmission electron microscope, atomic force microscope, X-ray photoelectron spectroscopy, and Raman spectroscopy (Raman) techniques. GO nanosheets act as supporting materials for anchoring the {alpha}-Fe{sub 2}O{sub 3} particles. The average crystallite sizes of the {alpha}-Fe{sub 2}O{sub 3} and {alpha}-Fe{sub 2}O{sub 3}/GO samples are ca. 27 and 24 nm, respectively. The possible growth of {alpha}-Fe{sub 2}O{sub 3} onto GO layers led to a higher absorbance capacity for visible light by {alpha}-Fe{sub 2}O{sub 3}/GO than {alpha}-Fe{sub 2}O{sub 3} composite. The photocatalytic degradation of toluene over the {alpha}-Fe{sub 2}O{sub 3} and {alpha}-Fe{sub 2}O{sub 3}/GO samples under xenon-lamp irradiation was comparatively studied by in situ FTIR technique. The results indicate that the {alpha}-Fe{sub 2}O{sub 3}/GO sample synthesized exhibited a higher capacity for the degradation of toluene. The composite of {alpha}-Fe{sub 2}O{sub 3}/GO could be promisingly applied in photo-driven air purification.

  5. Nitrogen-doped porous carbon from Camellia oleifera shells with enhanced electrochemical performance

    International Nuclear Information System (INIS)

    Zhai, Yunbo; Xu, Bibo; Zhu, Yun; Qing, Renpeng; Peng, Chuan; Wang, Tengfei; Li, Caiting; Zeng, Guangming

    2016-01-01

    Nitrogen doped porous activated carbon was prepared by annealing treatment of Camellia oleifera shell activated carbon under NH 3 . We found that nitrogen content of activated carbon up to 10.43 at.% when annealed in NH 3 at 800 °C. At 600 °C or above, the N-doped carbon further reacts with NH 3 , leads to a low surface area down to 458 m 2 /g and low graphitization degree. X-ray photoelectron spectroscope (XPS) analysis indicated that the nitrogen functional groups on the nitrogen-doped activated carbons (NACs) were mostly in the form of pyridinic nitrogen. We discovered that the oxygen groups and carbon atoms at the defect and edge sites of graphene play an important role in the reaction, leading to nitrogen atoms incorporated into the lattice of carbon. When temperatures were lower than 600 °C the nitrogen atoms displaced oxygen groups and formed nitrogen function groups, and when temperatures were higher than 600 °C and ~ 4 at.% carbon atoms and part of oxygen function groups reacted with NH 3 . When compared to pure activated carbon, the nitrogen doped activated carbon shows nearly four times the capacitance (191 vs 51 F/g). - Highlights: • The nitrogen content up to 10.43 at % during CAC pyrolysis under NH3 at 800 °C. • The oxygen groups and carbon atoms played an important role in the nitrogen doping. • NAC-600 shows a much higher specific capacitance than CAC.

  6. A study of some lattice defects with help of channeled {alpha} particles; Etude de quelques defauts cristallins a l'aide de particules {alpha} canalisees

    Energy Technology Data Exchange (ETDEWEB)

    Quere, Y [Commissariat a l' Energie Atomique, 92 - Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

    1968-07-01

    A method is described in which a metallic foil is irradiated by isotropic {alpha} particles. The thickness of the foil is such that only channeled particles can traverse it. The emerging flux, a function of the local concentration of defects, falls on a collector where an image of the foil is formed. The influence of grain or twin boundaries, of stacking faults, of dislocations, is observed. A quantitative study of dislocation is presented. The effect of a dislocation is represented by the presence of a coaxial dechanneling-cylinder of diameter: {lambda}-bar = [(b d a E)/({alpha}Z{sub 1}Z{sub 2}e{sup 2})]{sup 1/2}, b is the Burgers vector; d the interatomic distance along the channel; a the screening radius of the interaction between the particles (Z{sub 2}) and the metal (Z{sub 1} ); E the energy of the particles; {alpha} a numerical parameter. There is a reasonable agreement with experimental results. Channeling patterns, observed in all metals, are described. They are more numerous if the metal has been treated some time in gaseous atmospheres. They correspond to zones, on the metal, situated on the side of entrance of particles. It is proposed that in these zones, gaseous atoms strengthen the channels and enhance channeling. (author) [French] On decrit une methode qui consiste a irradier une feuille metallique par des particules {alpha} isotropes. La feuille est assez epaisse pour que seules les particules canalisees emergent. Le flux sortant depend alors fortement de la concentration en defauts. Il est recueilli sur un collecteur ou se forme ainsi une image de l'echantillon. On montre l'influence des joints de grains ou de macle, des fautes d'empilement et des dislocations. Dans ce dernier cas, la methode se prete bien a des etudes quantitatives. On represente l'effet d'une dislocation par la presence d'un cylindre de decanalisation coaxial de diametre: {lambda}-bar = [(b d a E)/({alpha}Z{sub 1}Z{sub 2}e{sup 2})]{sup 1/2} ou b est le vecteur de Burgers, d la

  7. Effect of electron injection on defect reactions in irradiated silicon containing boron, carbon, and oxygen

    Science.gov (United States)

    Makarenko, L. F.; Lastovskii, S. B.; Yakushevich, H. S.; Moll, M.; Pintilie, I.

    2018-04-01

    Comparative studies employing Deep Level Transient Spectroscopy and C-V measurements have been performed on recombination-enhanced reactions between defects of interstitial type in boron doped silicon diodes irradiated with alpha-particles. It has been shown that self-interstitial related defects which are immobile even at room temperatures can be activated by very low forward currents at liquid nitrogen temperatures. Their activation is accompanied by the appearance of interstitial carbon atoms. It has been found that at rather high forward current densities which enhance BiOi complex disappearance, a retardation of Ci annealing takes place. Contrary to conventional thermal annealing of the interstitial boron-interstitial oxygen complex, the use of forward current injection helps to recover an essential part of charge carriers removed due to irradiation.

  8. Proposal for Testing and Validation of Vacuum Ultra-Violet Atomic Laser-Induced Fluorescence as a Method to Analyze Carbon Grid Erosion in Ion Thrusters

    Science.gov (United States)

    Stevens, Richard

    2003-01-01

    Previous investigation under award NAG3-25 10 sought to determine the best method of LIF to determine the carbon density in a thruster plume. Initial reports from other groups were ambiguous as to the number of carbon clusters that might be present in the plume of a thruster. Carbon clusters would certainly affect the ability to LIF; if they were the dominant species, then perhaps the LIF method should target clusters. The results of quadrupole mass spectroscopy on sputtered carbon determined that minimal numbers of clusters were sputtered from graphite under impact from keV Krypton. There were some investigations in the keV range by other groups that hinted at clusters, but at the time the proposal was presented to NASA, there was no data from low-energy sputtering available. Thus, the proposal sought to develop a method to characterize the population only of atoms sputtered from a graphite target in a test cell. Most of the ground work had been established by the previous two years of investigation. The proposal covering 2003 sought to develop an anti-Stokes Raman shifting cell to generate VUW light and test this cell on two different laser systems, ArF and YAG- pumped dye. The second goal was to measure the lowest detectable amounts of carbon atoms by 156.1 nm and 165.7 nm LIF. If equipment was functioning properly, it was expected that these goals would be met easily during the timeframe of the proposal, and that is the reason only modest funding was requested. The PI was only funded at half- time by Glenn during the summer months. All other work time was paid for by Whitworth College. The college also funded a student, Charles Shawley, who worked on the project during the spring.

  9. Carbon sheet pumping

    International Nuclear Information System (INIS)

    Ohyabu, N.; Sagara, A.; Kawamura, T.; Motojima, O.; Ono, T.

    1993-07-01

    A new hydrogen pumping scheme has been proposed which controls recycling of the particles for significant improvement of the energy confinement in toroidal magnetic fusion devices. In this scheme, a part of the vacuum vessel surface near the divertor is covered with carbon sheets of a large surface area. Before discharge initiation, the sheets are baked up to 700 ∼ 1000degC to remove the previously trapped hydrogen atoms. After being cooled down to below ∼ 200degC, the unsaturated carbon sheets trap high energy charge exchange hydrogen atoms effectively during a discharge and overall pumping efficiency can be as high as ∼ 50 %. (author)

  10. Thermal 18F atom addition to olefins

    International Nuclear Information System (INIS)

    Rogers, P.J.M.

    1986-01-01

    The addition of thermal 18 F atoms to olefins was investigated using various substrate molecules. The 18 F atoms were produced by the 19 F(n,2n) 18 F nuclear reaction with >10 5 eV of energy which is removed by multiple collisions with SF 6 molecules before reaction occurs with an olefin. By varying the SF 6 /substrate mole ratio it was demonstrated that the fraction of non-thermal reactions is dependent upon the frequency of non-reactive energy reducing collisions with SF 6 . The rate constants for addition and abstraction reactions with propene, cis-1-chloropropene and trans-1-chloropropene were determined. The substitution of a C1 atom for the olefinic H atom in the C 1 position does not affect the rate of 18 F bond formation but it changes the orientation of attack. The 18 F atom prefers the terminal carbon-in propene and propene-d 6 by a factor of 1.35 while the preference is less than 0.5 for the terminal carbon in cis-1-chloropropene and trans-1-chloropropene. The addition of 18 F atoms to olefins creates vibrationally excited fluoroalkyl radicals which can either decompose or stabilize by collision with another molecule. The rate constants for decomposition of excited CH 3 CHCHC1F radicals formed by 18 F addition to cis-1-chloropropene and trans-1-chloropropene are competitive with C 1 -C 2 bond rotation. The 18 F atoms add to the parent molecule with retention of geometry and a memory of the geometry persists as demonstrated by the cis-1-fluoropropene/trans-1-fluoropropene decomposition product ratio

  11. Electrical tomography using atomic force microscopy and its application towards carbon nanotube-based interconnects

    International Nuclear Information System (INIS)

    Schulze, A; Hantschel, T; Dathe, A; Eyben, P; Vandervorst, W; Ke, X

    2012-01-01

    The fabrication and integration of low-resistance carbon nanotubes (CNTs) for interconnects in future integrated circuits requires characterization techniques providing structural and electrical information at the nanometer scale. In this paper we present a slice-and-view approach based on electrical atomic force microscopy. Material removal achieved by successive scanning using doped ultra-sharp full-diamond probes, manufactured in-house, enables us to acquire two-dimensional (2D) resistance maps originating from different depths (equivalently different CNT lengths) on CNT-based interconnects. Stacking and interpolating these 2D resistance maps results in a three-dimensional (3D) representation (tomogram). This allows insight from a structural (e.g. size, density, distribution, straightness) and electrical point of view simultaneously. By extracting the resistance evolution over the length of an individual CNT we derive quantitative information about the resistivity and the contact resistance between the CNT and bottom electrode. (paper)

  12. Differentiation of the mRNA transcripts originating from the alpha 1- and alpha 2-globin loci in normals and alpha-thalassemics.

    OpenAIRE

    Liebhaber, S A; Kan, Y W

    1981-01-01

    The alpha-globin polypeptide is encoded by two adjacent genes, alpha 1 and alpha 2. In the normal diploid state (alpha alpha/alpha alpha) all four alpha-globin genes are expressed. Loss or dysfunction of one or more of these genes leads to deficient alpha-globin production and results in alpha-thalassemia. We present a technique to differentially assess the steady-state levels of the alpha 1- and alpha-2-globin messenger RNA (mRNA) transcripts and thus delineate the relative level of expressi...

  13. The role of amino acid electron-donor/acceptor atoms in host-cell binding peptides is associated with their 3D structure and HLA-binding capacity in sterile malarial immunity induction

    Energy Technology Data Exchange (ETDEWEB)

    Patarroyo, Manuel E., E-mail: mepatarr@mail.com [Fundacion Instituto de Inmunologia de Colombia (FIDIC), Bogota (Colombia); Universidad Nacional de Colombia, Bogota (Colombia); Almonacid, Hannia; Moreno-Vranich, Armando [Fundacion Instituto de Inmunologia de Colombia (FIDIC), Bogota (Colombia)

    2012-01-20

    Highlights: Black-Right-Pointing-Pointer Fundamental residues located in some HABPs are associated with their 3D structure. Black-Right-Pointing-Pointer Electron-donor atoms present in {beta}-turn, random, distorted {alpha}-helix structures. Black-Right-Pointing-Pointer Electron-donor atoms bound to HLA-DR53. Black-Right-Pointing-Pointer Electron-acceptor atoms present in regular {alpha}-helix structure bound to HLA-DR52. -- Abstract: Plasmodium falciparum malaria continues being one of the parasitic diseases causing the highest worldwide mortality due to the parasite's multiple evasion mechanisms, such as immunological silence. Membrane and organelle proteins are used during invasion for interactions mediated by high binding ability peptides (HABPs); these have amino acids which establish hydrogen bonds between them in some of their critical binding residues. Immunisation assays in the Aotus model using HABPs whose critical residues had been modified have revealed a conformational change thereby enabling a protection-inducing response. This has improved fitting within HLA-DR{beta}1{sup Asterisk-Operator} molecules where amino acid electron-donor atoms present in {beta}-turn, random or distorted {alpha}-helix structures preferentially bound to HLA-DR53 molecules, whilst HABPs having amino acid electron-acceptor atoms present in regular {alpha}-helix structure bound to HLA-DR52. This data has great implications for vaccine development.

  14. 3D scaffolds from vertically aligned carbon nanotubes/poly(methyl methacrylate) composites via atom transfer radical polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Tebikachew, Behabtu; Magina, Sandra [CICECO, Department of Chemistry, University of Aveiro (Portugal); Mata, Diogo; Oliveira, Filipe J.; Silva, Rui F. [CICECO, Department of Materials and Ceramic Engineering, University of Aveiro (Portugal); Barros-Timmons, Ana, E-mail: anabarros@ua.pt [CICECO, Department of Chemistry, University of Aveiro (Portugal)

    2015-01-15

    Vertically aligned carbon nanotubes (VACNTs) synthesized by Thermal Chemical Vapour Deposition (TCVD) were modified using an Ar:O{sub 2} (97:3) plasma to generate oxygen-containing functional groups on the surface for subsequent modification. X-ray photo-emission spectroscopy (XPS) and micro-Raman analyses confirmed the grafting of those functional groups onto the surface of the nanotubes as well as the removal of amorphous carbon produced and deposited on the VACNT forests during the CVD process. The plasma treated VACNT forests were further modified with 2-bromo-2-methylpropionyl bromide, an atom transfer radical polymerization (ATRP) initiator, to grow poly(methyl methacrylate) (PMMA) chains from the forests via ATRP. Scanning transmission electron microscopy (STEM) of the ensuing VACNT/PMMA composites confirmed the coating of the nanotube forests with the PMMA polymer. 3D scaffolds of polymeric composites with honeycomb like structure were then obtained. Compressive tests have shown that the VACNT/PMMA composite has higher compressive strength than the pristine forest. - Highlights: • Vertically aligned carbon nanotubes (VACNTs) were synthesized and plasma modified. • X-ray photo-emission and Raman spectroscopies confirmed the VACNTs modification. • Poly(methyl methacrylate) chains were grown via ATRP from the VACNTs. • STEM of the VACNT/PMMA composites confirmed that PMMA surrounds the nanotubes. • VACNT/PMMA composite has higher compressive strength compared to the pristine forest.

  15. 3D scaffolds from vertically aligned carbon nanotubes/poly(methyl methacrylate) composites via atom transfer radical polymerization

    International Nuclear Information System (INIS)

    Tebikachew, Behabtu; Magina, Sandra; Mata, Diogo; Oliveira, Filipe J.; Silva, Rui F.; Barros-Timmons, Ana

    2015-01-01

    Vertically aligned carbon nanotubes (VACNTs) synthesized by Thermal Chemical Vapour Deposition (TCVD) were modified using an Ar:O 2 (97:3) plasma to generate oxygen-containing functional groups on the surface for subsequent modification. X-ray photo-emission spectroscopy (XPS) and micro-Raman analyses confirmed the grafting of those functional groups onto the surface of the nanotubes as well as the removal of amorphous carbon produced and deposited on the VACNT forests during the CVD process. The plasma treated VACNT forests were further modified with 2-bromo-2-methylpropionyl bromide, an atom transfer radical polymerization (ATRP) initiator, to grow poly(methyl methacrylate) (PMMA) chains from the forests via ATRP. Scanning transmission electron microscopy (STEM) of the ensuing VACNT/PMMA composites confirmed the coating of the nanotube forests with the PMMA polymer. 3D scaffolds of polymeric composites with honeycomb like structure were then obtained. Compressive tests have shown that the VACNT/PMMA composite has higher compressive strength than the pristine forest. - Highlights: • Vertically aligned carbon nanotubes (VACNTs) were synthesized and plasma modified. • X-ray photo-emission and Raman spectroscopies confirmed the VACNTs modification. • Poly(methyl methacrylate) chains were grown via ATRP from the VACNTs. • STEM of the VACNT/PMMA composites confirmed that PMMA surrounds the nanotubes. • VACNT/PMMA composite has higher compressive strength compared to the pristine forest

  16. Fluorine atom subsurface diffusion and reaction in photoresist

    International Nuclear Information System (INIS)

    Greer, Frank; Fraser, D.; Coburn, J.W.; Graves, David B.

    2003-01-01

    Kinetic studies of fluorine and deuterium atoms interacting with an OiR 897 10i i-line photoresist (PR) are reported. All experiments were conducted at room temperature. Films of this PR were coated on quartz-crystal microbalance (QCM) substrates and exposed to alternating fluxes of these atoms in a high vacuum apparatus. Mass changes of the PR were observed in situ and in real time during the atom beam exposures using the QCM. A molecular-beam sampled differentially pumped quadrupole mass spectrometer (QMS) was used to measure the species desorbing from the PR surface during the F and D atom exposures. During the D atom exposures, hydrogen abstraction and etching of the PR was observed, but no DF formation was detected. However, during the F atom exposures, the major species observed to desorb from the surface was DF, formed from fluorine abstraction of deuterium from the photoresist. No evidence of film etching or fluorine self-abstraction was observed. The film mass increased during F atom exposure, evidently due to the replacement of D by F in the film. The rate of DF formation and mass uptake were both characterized by the same kinetics: An initially rapid step declining exponentially with time (e -t/τ ), followed by a much slower step following inverse square root of time (t -1/2 ) kinetics. The initially rapid step was interpreted as surface abstraction of D by F to form DF, which desorbs, with subsequent F impacting the surface inserted into surface C dangling bonds. The slower step was interpreted as F atoms diffusing into the fluorinated photoresist, forming DF at the boundary of the fluorinated carbon layer. The t -1/2 kinetics of this step are interpreted to indicate that F diffusion through the fluorinated carbon layer is much slower than the rate of F abstraction of D to form DF, or the rate of F insertion into the carbon dangling bonds left behind after DF formation. A diffusion-limited growth model was formulated, and the model parameters are

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  18. Carbon films produced from ionic liquid carbon precursors

    Science.gov (United States)

    Dai, Sheng; Luo, Huimin; Lee, Je Seung

    2013-11-05

    The invention is directed to a method for producing a film of porous carbon, the method comprising carbonizing a film of an ionic liquid, wherein the ionic liquid has the general formula (X.sup.+a).sub.x(Y.sup.-b).sub.y, wherein the variables a and b are, independently, non-zero integers, and the subscript variables x and y are, independently, non-zero integers, such that ax=by, and at least one of X.sup.+ and Y.sup.- possesses at least one carbon-nitrogen unsaturated bond. The invention is also directed to a composition comprising a porous carbon film possessing a nitrogen content of at least 10 atom %.

  19. Diamond surface: atomic and electronic structure

    International Nuclear Information System (INIS)

    Pate, B.B.

    1984-01-01

    Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

  20. High-Velocity Ly(Alpha) Emission from SMR 1987A

    Science.gov (United States)

    Michael, Eli; McCray, Richard; Borkowski, Kazimierz J.; Pun, Chu S. J.; Sonneborn, George

    1998-01-01

    The high-velocity Ly(Alpha) emission from SN 1987A observed with the Space Telescope Imaging Spectrograph (STIS) evidently comes from a reverse shock formed where the outer envelope of SN 1987A strikes ionized gas inside the inner circumstellar ring. The observations can be explained by a simple kinematic model, in which the Ly(Alpha) emission comes from hydrogen atoms with radial velocity approximately 15,000 km s(exp -1) crossing a reverse shock in the shape of a slightly prolate ellipsoid with equatorial radius 4.8 x 10(exp 17) cm or approximately 80% of the distance to the inner surface of the inner ring. N v double Lambda 1239, 1243 emission, if present, has a net luminosity approximately less than 30% times that of the Ly(Alpha) emission. Future STIS observations should enable us to predict the time of impact with the inner ring and to determine unambiguously whether or not N v emission is present. These observations will offer a unique opportunity to probe the structure of SN 1987A's circumstellar environment and the hydrodynamics and kinetics of very fast shocks.

  1. Calculation on uranium carbon oxygen system molecular structure by DFT

    International Nuclear Information System (INIS)

    Zhang Guangfeng; Wang Xiaolin; Zou Lexi; Sun Ying; Xue Weidong; Zhu Zhenghe; Wang Hongyan

    2001-01-01

    The authors study on the possible molecular structures U-C-O, U-O-C, C-U-O (angular structure C a nd linear structure C ∞υ ) of carbon monoxide interacting on uranium metal surface by Density functional theory (DFT). The uranium atom is used RECP (Relativistic Effective Core Potential) and contracted valence basis sets (6s5p2d4f)/[3s3p2d2f], and for carbon and oxygen atoms all are 6-311G basis sets. The author presents the results of energy optimum which shows that triple and quintuple state are more stable. The authors get the electronic state, geometry structure, energy, harmonic frequency, mechanical property, etc. of these twelve triple and quintuple state relative stable structures. The normal vibrational analytical figure of angular structure (C s ) and linear structure (C ∞υ ) is given at the same time. It is indicated that angular structure has lower energy than linear structure, moreover the angular structure of U-C-O( 3 A ) has the lowest energy. The bond strength between uranium atom and carbon monoxide is weak and between uranium atom and oxygen atom is slightly stronger than between uranium atom and carbon atom which the authors can know by superposition population and bond energy analysis among atoms

  2. The effect of carbon and boron on the accumulation of vacancy-oxygen complexes in silicon

    International Nuclear Information System (INIS)

    Akhmetov, V.D.; Bolotov, V.V.

    1980-01-01

    By means of IR-absorption measurements the dose dependencies of the concentrations of vacancy-oxygen complexes (VO), interstitial oxygen atoms (Osub(I)), substitutional carbon atoms (Csub(S)) and interstitial carbon-oxygen complexes (Csub(I)Osub(I)) in n- and p-type silicon irradiated with 1.1 MeV electrons have been investigated. The observed increase of the production rate of VO-complexes with the rise of carbon and boron atoms concentrations (these impurities act as sinks for silicon interstitial atoms) has been explained in terms of annihilation of the vacancies and interstitials on the oxygen atoms. The results obtained show that boron atoms are more effective sinks than carbon atoms for the interstitial silicon atoms. That seems to be connected not only with the higher probability of boron injection into interstitial position but also with the further capture of interstitial silicon atoms on the interstitial boron, i.e. with the interstitial cluster formation. (author)

  3. Atomic Mass Dependence of $\\Xi^{-}$ Baryon and $\\bar \\Xi^+$ Baryon Production in Central 250-GeV/c $\\pi^-$ - Nucleon Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Dagenhart, William David [Tufts U.

    2000-02-01

    We present the first measurement of the atomic mass dependence of central $\\Xi^-$ and $\\overline{\\Xi}^+$ production. It is measured using a sample of 22,459 $\\Xi^-$'s and $\\overline{\\Xi}^+$'s produced in collisions between a 250 GeV/c $\\pi^-$ beam and targets of beryllium, aluminum, copper, and tungsten. The relative cross sections are fit to the two parameter function $\\sigma_0 A^{\\alpha}$, where A is the atomic mass. We measure $\\alpha$ = 0:924 $\\pm$ 0:020 $\\pm$ 0:025, for Feynman-x in the range $\\pm$ 0:09 < $x_F$ < 0:15.

  4. Electron diffraction from carbon nanotubes

    International Nuclear Information System (INIS)

    Qin, L-C

    2006-01-01

    The properties of a carbon nanotube are dependent on its atomic structure. The atomic structure of a carbon nanotube can be defined by specifying its chiral indices (u, v), that specify its perimeter vector (chiral vector), with which the diameter and helicity are also determined. The fine electron beam available in a modern transmission electron microscope (TEM) offers a unique probe to reveal the atomic structure of individual nanotubes. This review covers two aspects related to the use of the electron probe in the TEM for the study of carbon nanotubes: (a) to understand the electron diffraction phenomena for inter-pretation of the electron diffraction patterns of carbon nanotubes and (b) to obtain the chiral indices (u, v), of the carbon nanotubes from the electron diffraction patterns. For a nanotube of a given structure, the electron scattering amplitude from the carbon nanotube is first described analytically in closed form using the helical diffraction theory. From a known structure as given by the chiral indices (u, v), its electron diffraction pattern can be calculated and understood. The reverse problem, i.e. assignment of the chiral indices from an electron diffraction pattern of a carbon nanotube, is approached from the relationship between the electron scattering intensity distribution and the chiral indices (u, v). We show that electron diffraction patterns can provide an accurate and unambiguous assignment of the chiral indices of carbon nanotubes. The chiral indices (u, v) can be read indiscriminately with a high accuracy from the intensity distribution on the principal layer lines in an electron diffraction pattern. The symmetry properties of electron diffraction from carbon nanotubes and the electron diffraction from deformed carbon nanotubes are also discussed in detail. It is shown that 2mm symmetry is always preserved for single-walled carbon nanotubes, but it can break down for multiwalled carbon nanotubes under some special circumstances

  5. Experimental setup for studying the effects of alpha particles on zebrafish embryos

    International Nuclear Information System (INIS)

    Yum, E.H.W.; Ng, C.K.M.; Lin, A.C.C.; Cheng, S.H.; Yu, K.N.

    2007-01-01

    In the present work, we have studied the feasibility to use an experimental setup based on polyallyldiglycol-carbonate (PADC) films to study effects of alpha particles on dechorionated zebrafish embryos. Thin PADC films with a thickness of 16 μm were prepared from commercially available CR-39 films by chemical etching and used as support substrates for holding zebrafish embryos for alpha-particle irradiation. These films recorded alpha-particle hit positions, quantified the number and energy of alpha particles actually incident on the embryo cells, and thus enabled the calculation of the dose absorbed by the embryo cells. Irradiation was made at 4 h post fertilization (hpf) with absorbed doses up to 2.3 mGy. Images of the embryos at 48 hpf were examined for identification of morphologic abnormalities. The preliminary results showed that absorbed doses corresponding to the abnormally developed embryos ranged from 0.41 to 2.3 mGy, which was equivalent to 0.21-1.2 mGy in human

  6. Experimental setup for studying the effects of alpha particles on zebrafish embryos

    Energy Technology Data Exchange (ETDEWEB)

    Yum, E.H.W.; Ng, C.K.M. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Hong Kong (China); Lin, A.C.C.; Cheng, S.H. [Department of Biology and Chemistry, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Hong Kong (China); Yu, K.N. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong, Hong Kong (China)], E-mail: peter.yu@cityu.edu.hk

    2007-11-15

    In the present work, we have studied the feasibility to use an experimental setup based on polyallyldiglycol-carbonate (PADC) films to study effects of alpha particles on dechorionated zebrafish embryos. Thin PADC films with a thickness of 16 {mu}m were prepared from commercially available CR-39 films by chemical etching and used as support substrates for holding zebrafish embryos for alpha-particle irradiation. These films recorded alpha-particle hit positions, quantified the number and energy of alpha particles actually incident on the embryo cells, and thus enabled the calculation of the dose absorbed by the embryo cells. Irradiation was made at 4 h post fertilization (hpf) with absorbed doses up to 2.3 mGy. Images of the embryos at 48 hpf were examined for identification of morphologic abnormalities. The preliminary results showed that absorbed doses corresponding to the abnormally developed embryos ranged from 0.41 to 2.3 mGy, which was equivalent to 0.21-1.2 mGy in human.

  7. Humidity measurement using alpha-ray and beta-ray

    International Nuclear Information System (INIS)

    Matsumoto, Shigeaki; Kobayashi, Hisanobu

    1981-01-01

    Two new hygrometers using radioisotopes were proposed, and the results of tests are described. The one is a dew-point hygrometer utilizing the backscattering phenomena of beta-ray by dew, and the other is a hygrometer by measuring the variation of ionization current by alpha ray due to humidity. The backscattering of beta-ray depends on the atomic number of scatters and the energy of beta-ray. Therefore, the backscattering from dew on a gold plate is different from that from the gold itself. The temperature dependence of the backscattering intensity was measured with a GM counter. Decrease of the intensity was seen at the dew point. A control circuit was designed to measure the dew point automatically. The error of the measurement was within 1 degree C. An alpha-ray ionization hygrometer was constructed. The dependence of ionization current on humidity was measured with an operational amplifier. The resolution of humidity measurement was within 5 percent. (Kato, T.)

  8. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Collisional destruction of fast hydrogen Rydberg atoms

    International Nuclear Information System (INIS)

    King, M.R.

    1984-01-01

    A new modulated electric field technique was developed to study Rydberg atom destruction processes in a fast beam. The process of destruction of a band of Rydberg atom destruction of a band of Rydberg atoms through the combined processes of ionization, excitation, and deexcitation was studied for collisions with gas targets. Rydberg atoms of hydrogen were formed by electron capture, and detected by field ionization. The modulated field technique described proved to be an effective technique for producing a large signal for accurate cross section measurements. The independent particle model for Rydberg atom destruction processes was found to hold well for collisions with molecular nitrogen, argon, and carbon dioxide. The resonances in the cross sections for the free electron scattering with these targets were found to also occur in Rydberg destruction. Suggestions for future investigations of Rydberg atom collision processes in the fast beam regime are given

  10. Limits on visibility of single heavy atoms in the scanning transmission electron microscope: an experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Wall, J.S.

    1979-01-01

    Theoretical calculations of the visibility of single heavy atoms on thin carbon substrates have predicted higher signal to noise ratios then experimentally observed. Six experimental measurements were performed to determine where the theory is inadequate, five to determine the absolute value of heavy atom scattering cross sections in practical units, and one to determine substrate noise in some practical units. The practical unit of measure was chosen to be the scattering power of one carbon atom as determined by an internal standard, Tobacco Mosaic Virus. Measurements were performed on the following targets on thin carbon substrates: single isolated uranium atoms; silicotungstate clusters; colloidal platinum particles; fd bacteriophage embedded in negative strain; and fd bacteriophage reacted with a known quantity of heavy atom reagent. These measurements suggest that the scattering power of one heavy atom is approximately 9 +- 4 carbon atom equivalents, instead of 15 to 24 predicted by theory. The same techniques were used to measure intensity fluctuations from area to area of a clean substrate. Substrate noise was found to be less than expected for squares of width less than 10A, but up to 2.5 times greater than expected for larger squares. These signal and noise measurements have been combined to give an empirical formula for calculating signal to noise ratios from specimen and microscope parameters.

  11. Multi-functional carbon nanomaterials: Tailoring morphology for multidisciplinary applications

    Energy Technology Data Exchange (ETDEWEB)

    Dervishi, Enkeleda [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-05-14

    Carbon based nanomaterials are being developed to have many new properties and applications. Graphene, is a mono-layer 2D atomic thick structure formed from hexagons of carbon atoms bound together by sp^2hybrid bonds. A carbon nanotube (CNT) can be viewed as a sheet of graphene rolled up into a cylinder, usually 1-2 nanometers in diameter and a few microns thick. A few applications of graphene and carbon nanotubes include the development of Nanoelectronics, nanocomposite materials, Hydrogen storage and Li⁺ battery, etc.

  12. Alternative splicing of T cell receptor (TCR) alpha chain transcripts containing V alpha 1 or V alpha 14 elements.

    Science.gov (United States)

    Mahotka, C; Hansen-Hagge, T E; Bartram, C R

    1995-10-01

    Human acute lymphoblastic leukemia cell lines represent valuable tools to investigate distinct steps of the complex regulatory pathways underlying T cell receptor recombination and expression. A case in point are V delta 2D delta 3 and subsequent V delta 2D delta 3J alpha rearrangements observed in human leukemic pre-B cells as well as in normal lymphopoiesis. The functional expression of these unusual (VD) delta (JC) alpha hybrids is almost exclusively prevented by alternative splicing events. In this report we show that alternative splicing at cryptic splice donor sites within V elements is not a unique feature of hybrid TCR delta/alpha transcripts. Among seven V alpha families analyzed by RT-PCR, alternatively spliced products were observed in TCR alpha recombinations containing V alpha 1 or V alpha 14 elements. In contrast to normal peripheral blood cells and thymocytes, the leukemia cell line JM expressing functional V alpha 1J alpha 3C alpha transcripts lacked evidence of aberrant TCR alpha RNA species.

  13. Nitrogen-doped porous carbon from Camellia oleifera shells with enhanced electrochemical performance

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Yunbo, E-mail: ybzhai@hnu.edu.cn [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Xu, Bibo [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China); Zhu, Yun [Office of Scientific R& D, Hunan University, Changsha 410082 (China); Qing, Renpeng; Peng, Chuan; Wang, Tengfei; Li, Caiting; Zeng, Guangming [College of Environmental Science and Engineering, Hunan University, Changsha 410082 (China); Key Laboratory of Environmental Biology and Pollution Control, Hunan University, Ministry of Education, Changsha 410082 (China)

    2016-04-01

    Nitrogen doped porous activated carbon was prepared by annealing treatment of Camellia oleifera shell activated carbon under NH{sub 3}. We found that nitrogen content of activated carbon up to 10.43 at.% when annealed in NH{sub 3} at 800 °C. At 600 °C or above, the N-doped carbon further reacts with NH{sub 3}, leads to a low surface area down to 458 m{sup 2}/g and low graphitization degree. X-ray photoelectron spectroscope (XPS) analysis indicated that the nitrogen functional groups on the nitrogen-doped activated carbons (NACs) were mostly in the form of pyridinic nitrogen. We discovered that the oxygen groups and carbon atoms at the defect and edge sites of graphene play an important role in the reaction, leading to nitrogen atoms incorporated into the lattice of carbon. When temperatures were lower than 600 °C the nitrogen atoms displaced oxygen groups and formed nitrogen function groups, and when temperatures were higher than 600 °C and ~ 4 at.% carbon atoms and part of oxygen function groups reacted with NH{sub 3}. When compared to pure activated carbon, the nitrogen doped activated carbon shows nearly four times the capacitance (191 vs 51 F/g). - Highlights: • The nitrogen content up to 10.43 at % during CAC pyrolysis under NH3 at 800 °C. • The oxygen groups and carbon atoms played an important role in the nitrogen doping. • NAC-600 shows a much higher specific capacitance than CAC.

  14. Contemporary models of the atomic nucleus

    CERN Document Server

    Nemirovskii, P E

    2013-01-01

    Contemporary Models of the Atomic Nucleus discusses nuclear structure and properties, expounding contemporary theoretical concepts of the low-energy nuclear processes underlying in nuclear models. This book focuses on subjects such as the optical nuclear model, unified or collective model, and deuteron stripping reaction. Other topics discussed include the basic nuclear properties; shell model; theoretical analysis of the shell model; and radiative transitions and alpha-decay. The deuteron theory and the liquid drop nuclear model with its application to fission theory are also mentioned, but o

  15. 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

  16. ALPHA/AMPU, Radionuclide Radioactivity from Alpha Spectrometer Measurements

    International Nuclear Information System (INIS)

    Sill, D.S.

    1990-01-01

    1 - Description of program or function: The two computer programs, ALPHA and AMPU, take raw data obtained from alpha spectrometry and from these calculate activities and uncertainties of the radionuclides present in the sample. ALPHA determines activities of any alpha emitter in a sample that has been directly precipitated with NdF 3 . AMPU determines the Pu-239, Pu-238,and Am-241 activities using Pu-236 and Am-243 tracers. 2 - Method of solution: These programs propagate all random and systematic uncertainties, found anywhere in the experimental process, to the final result. The result is rounded and is in decimal agreement with the uncertainty. 3 - Restrictions on the complexity of the problem: In ALPHA, a chemical yield of 98% is assumed

  17. Resting alpha activity predicts learning ability in alpha neurofeedback

    Directory of Open Access Journals (Sweden)

    Wenya eNan

    2014-07-01

    Full Text Available Individuals differ in their ability to learn how to regulate the alpha activity by neurofeedback. This study aimed to investigate whether the resting alpha activity is related to the learning ability of alpha enhancement in neurofeedback and could be used as a predictor. A total of 25 subjects performed 20 sessions of individualized alpha neurofeedback in order to learn how to enhance activity in the alpha frequency band. The learning ability was assessed by three indices respectively: the training parameter changes between two periods, within a short period and across the whole training time. It was found that the resting alpha amplitude measured before training had significant positive correlations with all learning indices and could be used as a predictor for the learning ability prediction. This finding would help the researchers in not only predicting the training efficacy in individuals but also gaining further insight into the mechanisms of alpha neurofeedback.

  18. Ag-catalysed cutting of multi-walled carbon nanotubes

    International Nuclear Information System (INIS)

    La Torre, A; Rance, G A; Miners, S A; Lucas, C Herreros; Smith, E F; Giménez-López, M C; Khlobystov, A N; Fay, M W; Brown, P D; Zoberbier, T; Kaiser, U

    2016-01-01

    In this work, the cutting of carbon nanotubes is investigated using silver nanoparticles deposited on arc discharge multi-walled carbon nanotubes. The composite is subsequently heated in air to fabricate shortened multi-walled nanotubes. Complementary transmission electron microscopy and spectroscopy techniques shed light on the cutting mechanism. The nanotube cutting is catalysed by the fundamental mechanism based on the coordination of the silver atoms to the π-bonds of carbon nanotubes. As a result of the metal coordination, the strength of the carbon–carbon bond is reduced, promoting the oxidation of carbon at lower temperature when heated in air, or lowering the activation energy required for the removal of carbon atoms by electron beam irradiation, assuring in both cases the cutting of the nanotubes. (paper)

  19. Investigation of cascade regions of damage in alpha iron by a computer simulation method (crystal model). Issledovaniye kaskadnykh oblastey povrezhdeniya v. cap alpha. -zheleze metodom mashinnogo modelirovaniya (kristallicheskaya model)

    Energy Technology Data Exchange (ETDEWEB)

    Kevorkyan, Yu R

    1974-01-01

    A SPIKE program is used to study regions of structural damage that arise as a result of cascades of atomic collisions in single-crystal alpha iron. The model of the cascade process realized in the program uses a pair collision approximation and accounts for the influence of the crystal structure of the material. The following characteristics of regions of damage are found as a function of the energy of the primary knock-on atom: volume of the region, displacement effectiveness, size distribution of complexes of vacancies and injections. The results are compared with data in the literature. An appendix gives the text of the SPIKE program in FORTRAN.

  20. Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

    KAUST Repository

    Wang, Hongtao

    2012-01-01

    Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.

  1. Simple preparation of thin CR-39 detectors for alpha-particle radiobiological experiments

    International Nuclear Information System (INIS)

    Chan, K.F.; Lau, B.M.F.; Nikezic, D.; Tse, A.K.W.; Fong, W.F.; Yu, K.N.

    2007-01-01

    Alpha-particle radiobiological experiments involve irradiating cells with alpha particles and require accurate positions where the alpha particles hit the cells. In the present work, we prepared thin CR-39 detectors from commercially available CR-39 SSNTDs with a thickness of 100 μm by etching them in 1 N NaOH/ethanol at 40 deg. C to below 20 μm. The desired final thickness was achieved within ∼8 h. Such etching conditions can provide relatively small roughness of the detector as revealed by atomic force microscope, and thus provide transparent detectors for radiobiological experiments. UV radiation was employed to shorten track formation time on these thin CR-39 detectors. After exposure to UV light (UVA + B radiation) for 2-3 h with doses from 259 to 389 W/cm 2 , 5 MeV alpha-particle tracks can be seen to develop on these CR-39 detectors clearly under the optical microscope within 2 h in 14 N KOH at 37 deg. C. As an example for practical use, custom-made petri dishes, with a hole drilled at the bottom and covered with a thin CR-39 detector, were used for culturing HeLa cells. The feasibility of using these thin CR-39 detectors is demonstrated by taking photographs of the cells and alpha-particle tracks together under the optical microscope, which can allow the hit positions on the cells by the alpha particles to be determined accurately

  2. Pattern recognition approach to quantify the atomic structure of graphene

    DEFF Research Database (Denmark)

    Kling, Jens; Vestergaard, Jacob Schack; Dahl, Anders Bjorholm

    2014-01-01

    We report a pattern recognition approach to detect the atomic structure in high-resolution transmission electron microscopy images of graphene. The approach provides quantitative information such as carbon-carbon bond lengths and bond length variations on a global and local scale alike. © 2014...

  3. Designing electronic anisotropy of three-dimensional carbon allotropes for the all-carbon device

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Li-Chun, E-mail: xulichun@tyut.edu.cn; Song, Xian-Jiang; Yang, Zhi; Li, Xiu-Yan [College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); Wang, Ru-Zhi; Yan, Hui [College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China)

    2015-07-13

    Extending two-dimensional (2D) graphene nanosheets to a three-dimensional (3D) network can enhance the design of all-carbon electronic devices. Based on the great diversity of carbon atomic bonding, we have constructed four superlattice-type carbon allotrope candidates, containing sp{sup 2}-bonding transport channels and sp{sup 3}-bonding insulating layers, using density functional theory. It was demonstrated through systematic simulations that the ultra-thin insulating layer with only three-atom thickness can switch off the tunneling transport and isolate the electronic connection between the adjacent graphene strips, and these alternating perpendicular strips also extend the electron road from 2D to 3D. Designing electronic anisotropy originates from the mutually perpendicular π bonds and the rare partial charge density of the corresponding carriers in insulating layers. Our results indicate the possibility of producing custom-designed 3D all-carbon devices with building blocks of graphene and diamond.

  4. Single-Atom Catalysts of Precious Metals for Electrochemical Reactions.

    Science.gov (United States)

    Kim, Jiwhan; Kim, Hee-Eun; Lee, Hyunjoo

    2018-01-10

    Single-atom catalysts (SACs), in which metal atoms are dispersed on the support without forming nanoparticles, have been used for various heterogeneous reactions and most recently for electrochemical reactions. In this Minireview, recent examples of single-atom electrocatalysts used for the oxygen reduction reaction (ORR), hydrogen oxidation reaction (HOR), hydrogen evolution reaction (HER), formic acid oxidation reaction (FAOR), and methanol oxidation reaction (MOR) are introduced. Many density functional theory (DFT) simulations have predicted that SACs may be effective for CO 2 reduction to methane or methanol production while suppressing H 2 evolution, and those cases are introduced here as well. Single atoms, mainly Pt single atoms, have been deposited on TiN or TiC nanoparticles, defective graphene nanosheets, N-doped covalent triazine frameworks, graphitic carbon nitride, S-doped zeolite-templated carbon, and Sb-doped SnO 2 surfaces. Scanning transmission electron microscopy, extended X-ray absorption fine structure measurement, and in situ infrared spectroscopy have been used to detect the single-atom structure and confirm the absence of nanoparticles. SACs have shown high mass activity, minimizing the use of precious metal, and unique selectivity distinct from nanoparticle catalysts owing to the absence of ensemble sites. Additional features that SACs should possess for effective electrochemical applications were also suggested. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Simultaneous Multi-Element Electrothermal Atomic Absorption ...

    African Journals Online (AJOL)

    width of transmittance profile 120 pm, a linear CCD array attached to a PC and a tube atomizer furnished with a carbon fibre collector. In the experiments simultaneous determination of 18 elements was performed in the mixed solutions at the mg ...

  6. Atomic Covalent Functionalization of Graphene

    Science.gov (United States)

    Johns, James E.; Hersam, Mark C.

    2012-01-01

    Conspectus Although graphene’s physical structure is a single atom thick, two-dimensional, hexagonal crystal of sp2 bonded carbon, this simple description belies the myriad interesting and complex physical properties attributed to this fascinating material. Because of its unusual electronic structure and superlative properties, graphene serves as a leading candidate for many next generation technologies including high frequency electronics, broadband photodetectors, biological and gas sensors, and transparent conductive coatings. Despite this promise, researchers could apply graphene more routinely in real-world technologies if they could chemically adjust graphene’s electronic properties. For example, the covalent modification of graphene to create a band gap comparable to silicon (~1 eV) would enable its use in digital electronics, and larger band gaps would provide new opportunities for graphene-based photonics. Towards this end, researchers have focused considerable effort on the chemical functionalization of graphene. Due to its high thermodynamic stability and chemical inertness, new methods and techniques are required to create covalent bonds without promoting undesirable side reactions or irreversible damage to the underlying carbon lattice. In this Account, we review and discuss recent theoretical and experimental work studying covalent modifications to graphene using gas phase atomic radicals. Atomic radicals have sufficient energy to overcome the kinetic and thermodynamic barriers associated with covalent reactions on the basal plane of graphene but lack the energy required to break the C-C sigma bonds that would destroy the carbon lattice. Furthermore, because they are atomic species, radicals substantially reduce the likelihood of unwanted side reactions that confound other covalent chemistries. Overall, these methods based on atomic radicals show promise for the homogeneous functionalization of graphene and the production of new classes of two

  7. Carbon monoxide and carbon dioxide interaction with tantalum

    Energy Technology Data Exchange (ETDEWEB)

    Belov, V D; USTINOV, YU K; KOMAR, A P [AN SSSR, LENINGRAD. FIZIKO-TEKHNICHESKIJ INST.

    1978-03-01

    The adsorption of carbon monoxide and carbon dioxide on tantalum and the dissolution of these gases in the adsorbent at T >= 300 K have been studied. The flash-filament method (FFM) in a monopole mass-spectrometer and a field emission microscopy was used in the same apparatus. Carbon monoxide and carbon dioxide dissociate on the tantalum surface, carbon monoxide being desorbed in both cases during the flash. The desorption curves of CO reveal three different binding states: two of them (..cap alpha.. and ..beta..'/sub 1/) for the adsorbed particles whereas the high temperature desorption state relates to the adsorbate dissolved in the metal. For the ..beta..'/sub 1/ state of CO the activation energy, the pre-exponential factor and the kinetic order in the kinetic equation of desorption have been estimated. They turned out to be E = 110 kcal/mol, C = 3 X 10/sup 12/ sec/sup -1/, and ..gamma.. = 1. The activation energy of diffusion for CO in tantalum and the energy of outgassing for the metal were found to be 9.4 and 49 kcal/mole, respectively.

  8. Molecular basis for nondeletion alpha-thalassemia in American blacks. Alpha 2(116GAG----UAG).

    OpenAIRE

    Liebhaber, S A; Coleman, M B; Adams, J G; Cash, F E; Steinberg, M H

    1987-01-01

    An American black woman was found to have the phenotype of moderately severe alpha-thalassemia normally associated with the loss of two to three alpha-globin genes despite an alpha-globin gene map that demonstrated the loss of only a single alpha-globin gene (-alpha/alpha alpha). Several individuals in her kindred with normal alpha-globin gene mapping studies (alpha alpha/alpha alpha) had mild alpha-thalassemia hematologic values consistent with the loss of one to two alpha-globin genes. Thes...

  9. Electrochemical selective detection of dopamine on microbial carbohydrate-doped multiwall carbon nanotube-modified electrodes.

    Science.gov (United States)

    Jin, Joon-Hyung; Cho, Eunae; Jung, Seunho

    2010-03-01

    Microbial carbohydrate-doped multiwall carbon nanotube (MWNT)-modified electrodes were prepared for the purpose of determining if 4-(2-aminoethyl)benzene-1,2-diol (3,4-dihydroxyphenylalanine; dopamine) exists in the presence of 0.5 mM ascorbic acid, a representative interfering agent in neurotransmitter detection. The microbial carbohydrate dopants were alpha-cyclosophorohexadecaose (alpha-C16) from Xanthomonas oryzae and cyclic-(1 --> 2)-beta-d-glucan (Cys) from Rhizobium meliloti. The cyclic voltammetric responses showed that the highest sensitivity (5.8 x 10(-3) mA cm(-2) microM(-1)) is attained with the Cys-doped MWNT-modified ultra-trace carbon electrode, and that the alpha-C16-doped MWNT-modified glassy carbon electrode displays the best selectivity to dopamine (the approximate peak potential separation is 310 mV).

  10. Formation of molecules in interstellar clouds from singly and multiply ionized atoms

    International Nuclear Information System (INIS)

    Langer, W.D.; and NASA, Institute for Space Studies, Goddard Space Flight Center, New York)

    1978-01-01

    Soft X-ray and cosmic rays produce multiply ionized atoms which may initiate molecule production in interstellar clouds. This molecule production can occur via ion-molecule reactions with H 2 , either directly from the multiply ionized atom (e.g.,C ++ + H 2 →CH + + H + ), or indirectly from the singly ionized atoms (e.g., N + + H 2 →NH + + H) that are formed from the recombination or charge transfer of the highly ionized atom (e.g., N ++ + e→N + + hv). We investigate the contribution of these reactions to the abundances of carbon-, nitrogen-, and oxygen-bearing molecules in isobaric models of diffuse clouds. In the presence of the average flux estimated for the diffuse soft X-ray background, multiply ionized atoms contribute only minimally (a few percent) to carbon-bearing molecules such as CH. In the neighborhood of diffuse structures or discrete sources, however, where the X-ray flux is enhanced, multiple ionization is considerably more important for molecule production

  11. Ab initio study of F- and Cl-functionalized single wall carbon nanotubes

    International Nuclear Information System (INIS)

    Pan, H; Feng, Y P; Lin, J Y

    2006-01-01

    First-principles calculations were carried out to study the functionalization of single wall carbon nanotubes by the chemical absorption of F and Cl atoms. Our results confirmed that the band gap of semiconductor zigzag carbon nanotubes is reduced on addition of F or Cl atoms on the walls of the nanotubes. For metallic armchair nanotubes, the doubly degenerate states crossing the Fermi level were separated by the introduction of F or Cl atoms. An additional energy level emerged near the Fermi level, due to coupling between the carbon nanotube and the F or Cl atom. For zigzag nanotubes, charge transfers of 0.27e from the tube to the Cl atom and of 0.41e to the F atom took place, while for armchair nanotubes, the charge transfers from the nanotube to Cl and F are 0.25 and 0.42e, respectively. The Cl-C and F-C bond lengths were found to be 2.09 and 1.49 A, respectively. The systems show semiconducting behaviour when charged with one electron per halogen atom, but remain metallic under hole injection, regardless of the chirality of the carbon nanotubes

  12. Effects of a new 3-alpha reaction on the s-process in massive stars

    International Nuclear Information System (INIS)

    Kikuch, Yukihiro; Ono, Masaomi; Matsuo, Yasuhide; Hashimoto, Masa-aki; Fujimoto, Shin-ichiro

    2012-01-01

    Effect of a new 3-alpha reaction rate on the s-process during the evolution of a massive star of 25 solar mass is investigated for the first time, because the s-process in massive stars have been believed to be established with only minor change. We find that the s-process with use of the new rate during the core helium burning is very inefficient compared to the case with the previous 3-alpha rate. However, the difference of the overproduction is found to be largely compensated by the subsequent carbon burning. Since the s-process in massive stars has been attributed so far to the neutron irradiation during core helium burning, our finding reveals for the first time the importance of the carbon burning for the s-process during the evolution of massive stars.

  13. Magnetic properties of {alpha}-Fe and Fe{sub 3}C nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Lutz, M U; Weissker, U; Wolny, F; Mueller, C; Loeffler, M; Muehl, T; Leonhardt, A; Buechner, B; Klingeler, R, E-mail: m.lutz@ifw-dresden.d [Leibniz Institute for Solid State and Materials Research IFW Dresden, Helmholtzstrasse 20, 01069 Dresden (Germany)

    2010-01-01

    The magnetic properties of single domain {alpha}-Fe and Fe{sub 3}C nanowires encapsulated within Multi Walled Carbon Nanotubes (MWNT) are investigated with a Magnetic Force Microscope (MFM). The wires are formed during the Chemical Vapour Deposition growth process, partially filling the hollow center of the MWNTs. The wires have a diameter variation of 10-60nm and can be several {mu}m long. The phase and crystal orientation of the filling relative to the long tube axis are probed by Transmission Electron Microscopy. The remanent magnetization states of the wires are investigated by MFM imaging. The {alpha}-Fe wires show shape dominated magnetization along the tube axis, whereas the FesC wires show a perpendicular magnetization imposed by magneto-crystalline anisotropy. Switching fields of {alpha}-Fe nanowires are determined by the application of an in-situ magnetic field, revealing a tip triggered magnetization reversal by localized nucleation.

  14. Transcriptional switch from albumin to alpha-fetoprotein and changes in transcription of other genes during carbon tetrachloride induced liver regeneration

    International Nuclear Information System (INIS)

    Panduro, A.; Shalaby, F.; Weiner, F.R.; Biempica, L.; Zern, M.A.; Shafritz, D.A.

    1986-01-01

    During liver regeneration induced by CCl 4 administration to rats, changes in the relative transcription rates of albumin and alpha-fetoprotein genes have been measured in conjunction with other liver-specific and general cellular function genes. Within 24 h following CCl 4 administration, albumin gene transcription decreases by 85%, whereas alpha-fetoprotein transcription increases from undetectable levels to 50% of that observed for albumin. These changes precede maximal [ 3 H]thymidine incorporation into DNA which peaks at 48 h. Other genes related to liver-specific functions, such as ligandin, alpha 1-antitrypsin, and cytochrome P-450's, as well as general cellular genes pro alpha 1- and pro alpha 2-collagen, beta-actin, and alpha-tubulin, respond in kinetic patterns often distinct from each other and from albumin and alpha-fetoprotein. Changes in the steady-state levels of albumin and alpha-fetoprotein mRNA correlate with changes in transcription, but there is a lag in alpha-fetoprotein mRNA accumulation, which peaks at 72 h following CCl 4 administration. These studies indicate that reciprocal changes in albumin and alpha-fetoprotein gene transcription occur during CCl 4 -induced liver regeneration, leading to changes in the level of these specific mRNAs. These changes precede DNA synthesis and would appear to represent an alteration in differentiated function of hepatocytes in conjunction with the liver regenerative process

  15. Synthesis of Antimony Doped Amorphous Carbon Films

    Science.gov (United States)

    Okuyama, H.; Takashima, M.; Akasaka, H.; Ohtake, N.

    2013-06-01

    We report the effects of antimony (Sb) doping on the electrical and optical properties of amorphous carbon (a-C:H) films grown on silicon and copper substrates by magnetron sputtering deposition. For film deposition, the mixture targets fabricated from carbon and antimony powders was used. The atomic concentration of carbon, hydrogen, and antimony, in the film deposited from the 1.0 mol% Sb containing target were 81, 17, 2 at.%, respectively. These elements were homogeneously distributed in the film. On the structural effect, the average continuous sp2 carbon bonding networks decreased with Sb concentration increasing, and defects in the films were increased with the Sb incorporation because atomic radius of Sb atoms is twice larger size than that of carbon. The optical gap and the electrical resistivity were carried out before and after the Sb doping. The results show that optical gap dropped from 3.15 to 3.04 eV corresponding to non-doping to Sb-doping conditions, respectively. The electrical resistivity reduced from 10.5 to 1.0 MΩm by the Sb doping. These results suggest the doping level was newly formed in the forbidden band.

  16. Synthesis of Antimony Doped Amorphous Carbon Films

    International Nuclear Information System (INIS)

    Okuyama, H; Takashima, M; Akasaka, H; Ohtake, N

    2013-01-01

    We report the effects of antimony (Sb) doping on the electrical and optical properties of amorphous carbon (a-C:H) films grown on silicon and copper substrates by magnetron sputtering deposition. For film deposition, the mixture targets fabricated from carbon and antimony powders was used. The atomic concentration of carbon, hydrogen, and antimony, in the film deposited from the 1.0 mol% Sb containing target were 81, 17, 2 at.%, respectively. These elements were homogeneously distributed in the film. On the structural effect, the average continuous sp 2 carbon bonding networks decreased with Sb concentration increasing, and defects in the films were increased with the Sb incorporation because atomic radius of Sb atoms is twice larger size than that of carbon. The optical gap and the electrical resistivity were carried out before and after the Sb doping. The results show that optical gap dropped from 3.15 to 3.04 eV corresponding to non-doping to Sb-doping conditions, respectively. The electrical resistivity reduced from 10.5 to 1.0 MΩm by the Sb doping. These results suggest the doping level was newly formed in the forbidden band.

  17. Tribological improvements of carbon-carbon composites by infiltration of atomic layer deposited lubricious nanostructured ceramic oxides

    Science.gov (United States)

    Mohseni, Hamidreza

    A number of investigators have reported enhancement in oxidation and wear resistant of carbon-carbon composites (CCC) in the presence of protective coating layers. However, application of a surface and subsurface coating system that can preserve its oxidation and wear resistance along with maintaining lubricity at high temperature remains unsolved. To this end, thermodynamically stable protective oxides (ZnO/Al2O3/ZrO2) have been deposited by atomic layer deposition (ALD) to infiltrate porous CCC and graphite foams in order to improve the thermal stability and wear resistance in low and high speed sliding contacts. Characterization of microstructural evolution was achieved by using energy dispersive x-ray spectroscopy (EDS) mapping in scanning electron microscope (SEM) coupled with focused ion beam (FIB), x-ray tomography, high resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM) and X-ray diffraction (XRD). Evaluation of the tribological properties of CCC coated with abovementioned ALD thin films were performed by employing low speed pure sliding tribometer and a high speed/frequency reciprocating rig to simulate the fretting wear behavior at ambient temperature and elevated temperatures of 400°C. It was determined with x-ray tomography imaging and EDS mapping that ALD ZnO/Al2O3/ZrO2 nanolaminates and baseline ZrO2 coatings exhibited excellent conformality and pore-filling capabilities down to ˜100 microm and 1.5 mm in the porous CCC and graphite foam, respectively, which were dependent on the exposure time of the ALD precursors. XRD and HRTEM determined the crystalline phases of {0002} textured ZnO (wurtzite), amorphous Al2O3, and {101}-tetragonal ZrO2. Significant improvements up to ˜65% in the sliding and fretting wear factors were determined for the nanolaminates in comparison to the uncoated CCC. A tribochemical sliding-induced mechanically mixed layer (MML) was found to be responsible for these improvements

  18. A viable way to tailor carbon nanomaterials by irradiation-induced transformations

    International Nuclear Information System (INIS)

    Caudillo, R.; Troiani, H.E.; Miki-Yoshida, M.; Marques, M.A.L.; Rubio, A.; Yacaman, M.J.

    2005-01-01

    Since the discovery of carbon nanotubes (CNT), transmission electron microscopy (TEM) has been the most important tool in their investigation. It is possible to use electron irradiation in a TEM to construct a single-walled carbon nanotube (SWCNT) from an amorphous carbon film. Here we show that such a synthesis method creates a large number of carbon ad-atoms, which after some critical amount of radiation act to restore the system by reconstructing the carbon film. The behavior of the ad-atoms can be controlled by adjusting the current density in the microscope, suggesting that carbon nanomaterials can be tailored by electron irradiation

  19. Using different drift gases to change separation factors (alpha) in ion mobility spectrometry

    Science.gov (United States)

    Asbury; Hill

    2000-02-01

    The use of different drift gases to alter separation factors (alpha) in ion mobility spectrometry has been demonstrated. The mobility of a series of low molecular weight compounds and three small peptides was determined in four different drift gases. The drift gases chosen were helium, argon, nitrogen, and carbon dioxide. These drift gases provide a range of polarizabilities and molecular weights. In all instances, the compounds showed the greatest mobility in helium and the lowest mobility in carbon dioxide; however the percentage change of mobility for each compound was different, effectively changing the alpha value. The alpha value changes were primarily due to differences in drift gas polarizability but were also influenced by the mass of the drift gas. In addition, gas-phase ion radii were calculated in each of the different drift gases. These radii were then plotted against drift gas polarizability producing linear plots with r2 values greater than 0.99. The intercept of these plots provides the gas-phase radius of an ion in a nonpolarizing environment, whereas the slope is indicative of the magnitude of the ion's mobility change related to polarizability. It therefore, should be possible to separate any two compounds that have different slopes with the appropriate drift gas.

  20. Chemical reaction between single hydrogen atom and graphene

    International Nuclear Information System (INIS)

    Ito, Atsushi; Nakamura, Hiroaki; Takayama, Arimichi

    2007-04-01

    We study chemical reaction between a single hydrogen atom and a graphene, which is the elemental reaction between hydrogen and graphitic carbon materials. In the present work, classical molecular dynamics simulation is used with modified Brenner's empirical bond order potential. The three reactions, that is, absorption reaction, reflection reaction and penetration reaction, are observed in our simulation. Reaction rates depend on the incident energy of the hydrogen atom and the graphene temperature. The dependence can be explained by the following mechanisms: (1) The hydrogen atom receives repulsive force by π-electrons in addition to nuclear repulsion. (2) Absorbing the hydrogen atom, the graphene transforms its structure to the 'overhand' configuration such as sp 3 state. (3) The hexagonal hole of the graphene is expanded during the penetration of the hydrogen atom. (author)

  1. Anti-pp,. cap alpha cap alpha. and p. cap alpha. elastic scattering at high energies and Chou-Yang conjecture

    Energy Technology Data Exchange (ETDEWEB)

    Saleem, M.; Fazal-e-Aleem; Rifique, M.

    1987-03-01

    The recent experimental measurements for anti-pp and ..cap alpha cap alpha.. elastic scattering at high energies have shown that the Chou-Yang conjecture regarding the relationship between the electromagnetic and the hadronic form factor of a particle is only an approximation. A new ansatz has been proposed to obtain hadronic form factors of proton and the ..cap alpha..-particle. These form factors have been used to explain the various characteristics of anti-pp, ..cap alpha cap alpha.. and p..cap alpha.. elastic scattering at high energies.

  2. Effect of oxide ion concentration on the electrochemical oxidation of carbon in molten LiCl

    International Nuclear Information System (INIS)

    Yun, J. W.; Choi, I. K.; Park, Y. S.; Kim, W. H.

    2001-01-01

    The continuous measurement of lithium oxide concentration was required in DOR (Direct Oxide Reduction) process, which converts spent nuclear fuel to metal form, for the reactivity monitor and effective control of the process. The concentration of lithium oxide was measured by the electrochemical method, which was based on the phenomenon that carbon atoms of glassy carbon electrode electrochemically react with oxygen ions of lithium oxide in molten LiCl medium. From the results of electrode polarization experiments, the trend of oxidation rate of carbon atoms was classified into two different regions, which were proportional and non-proportional ones, dependent on the amount of lithium oxide. Below about 2.5 wt % Li 2 O, as the carbon atom ionization rate was fast enough for reacting with diffusing lithium oxide to the surface of carbon electrode. In this concentration range, the oxidation rate of carbon atoms was controlled by the diffusion of lithium oxide, and the concentration of lithium oxide could be measured by electrochemical method. But, above 2.5 wt % Li 2 O, the oxidation rate of carbon atoms was controlled by the applied electrochemical potential, because the carbon atom ionization rate was suppressed by the huge amounts of diffusing Li 2 O. Above this concentration, the electrochemical method was not applicable to determine the concentration of lithium oxide

  3. Contribution to the study of alpha-alpha interaction; Contribution a l'etude de l'interaction alpha - alpha

    Energy Technology Data Exchange (ETDEWEB)

    Darriulai, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-03-01

    Two sets of measurements of the {alpha}-{alpha} elastic scattering differential cross section are presented. The first set - angular distributions from 50 up to 120 MeV - shows two new resonances, 6{sup +} and 8{sup +}, at 25 and 57 MeV. Complex phase shifts are extracted from the data and a phenomenological potential is given. A description of the 3 {alpha}-particle 0{sup +} states in C{sup 12} is made with this interaction potential. The second set - excitation curves between 20 and 50 MeV - allows investigation of the Be{sup 8} level structure within this energy range - It identifies the 16.6 and 16.9 MeV states as 2{sup +}, but the rise of inelastic processes at higher energies makes further identification of spins and parities more and more difficult. (author) [French] Deux series de mesures de la section efficace differentielle de diffusion {alpha}-{alpha} sont presentees. La premiere - distributions angulaires entre 50 et 120 MeV - fait apparaitre deux nouvelles resonances, 6{sup +} et 8{sup +}, a 25 et 57 MeV d'excitation. Des dephasages complexes en sont extraits et un potentiel phenomenologique est presente. Une etude des etats 0{sup +} a parentage (3{alpha}) de {sup 12}C est faite a partir de ce potentiel. La seconde - courbes d'excitation s'etendant de 20 a 50 MeV - met en evidence la structure de {sup 8}Be dans cette region. Elle montre que les niveaux a 16,6 et 16,9 MeV sont des 2{sup +} mais l'importance des processus inelastiques rend difficile l'identification des niveaux d'excitation plus elevee. (auteur)

  4. Changes in atomic populations due to edge plasma fluctuations

    Energy Technology Data Exchange (ETDEWEB)

    Hammami, R., E-mail: ramzi.hammami@univ-provence.fr [PIIM, Aix-Marseille Université and CNRS, centre Saint Jérôme, Marseille 13397 (France); Capes, H. [PIIM, Aix-Marseille Université and CNRS, centre Saint Jérôme, Marseille 13397 (France); Catoire, F. [CELIA, Université de Bordeaux 1 and CNRS, Domaine du Haut Carré, Talence 33405 (France); Godbert-Mouret, L.; Koubiti, M.; Marandet, Y.; Mekkaoui, A.; Rosato, J.; Stamm, R. [PIIM, Aix-Marseille Université and CNRS, centre Saint Jérôme, Marseille 13397 (France)

    2013-07-15

    The population balance of atoms or ions in an edge plasma is calculated in the presence of fluctuating density or temperature. We have used a stochastic model taking advantage of the knowledge of the plasma parameter statistical properties, and assuming a stepwise constant stochastic process for the fluctuating variable. The model is applied to simplified atomic systems such as three level hydrogen atoms or the ionization balance of carbon affected by electronic temperature or density fluctuations obeying a gamma PDF, and an exponential waiting time distribution.

  5. Determination of trace elements in atomic absorption spectrophotometry. Study of the atomic cloud and atom generator. Application to the measurement of physical quantities

    International Nuclear Information System (INIS)

    Hircq, Bernard.

    1976-06-01

    After the description of the absorption cell the principal parameters are studied: argon flow rate in the cell, atomization temperature, cell geometry etc. The technique is applied to the measurement of impurities in uranium after deposition on a carbon filament. The atomic concentration distribution and the dimensions of the cloud generated by a graphite filament are then studied along the axes parallel to the filament and as a function of the various experimental parameters. From the determination of the cloud elevation rate it is possible to calculate the absolute atomic concentration, which allows certain physical quantities to be evaluated: oscillator force, Lorentz Widening, diffusion coefficient... The size and penetration depth of the deposit are then determined with an ionic microprobe and the distribution with a Castaing microprobe. The chemical transformations undergone by the uranium matrix during the heat cycles are studied by the X-ray method [fr

  6. Atomic Oxygen Treatment as a Method of Recovering Smoke Damaged Paintings

    Science.gov (United States)

    Rutledge, Sharon K.; Banks, Bruce A.; Forkapa, Mark; Stueber, Thomas; Sechkar, Edward; Malinowski, Kevin

    1998-01-01

    Smoke damage, as a result of a fire, can be difficult to remove from some types of painting media without causing swelling, leaching or pigment movement or removal. A non-contact technique has been developed which can remove soot from the surface of a painting by use of a gently flowing gas containing atomic oxygen. The atomic oxygen chemically reacts with the soot on the surface creating gasses such as carbon monoxide and carbon dioxide which can be removed through the use of an exhaust system. The reaction is limited to the surface so that the process can be timed to stop when the paint layer is reached. Atomic oxygen is a primary component of the low Earth orbital environment, but can be generated on Earth through various methods. This paper will discuss the results of atomic oxygen treatment of soot exposed acrylic gesso, ink on paper, and a varnished oil painting. Reflectance measurements were used to characterize the surfaces before and after treatment.

  7. Comparative study of selenite adsorption on carbon based adsorbents and activated alumina.

    Science.gov (United States)

    Jegadeesan, G; Mondal, K; Lalvani, S B

    2003-08-01

    The sorption characteristics of carbon-based adsorbents such as activated carbon and chitin for the removal of selenite, Se (IV), an anionic, hazardous contaminant, are compared with those of alpha and gamma alumina. Batch experiments were conducted to determine the influence of pH, concentration of adsorbate, adsorbent loading and temperature on the sorption characteristics of the adsorbents. Generally, low pH of the solution resulted in favorable selenium removal. With the exception of activated carbon, uptakes decreased with increase in temperature. In comparison, chitin was found to be far less effective for the removal of Se (IV) from aqueous solutions. The data also showed that gamma alumina provided higher selenium removal percentages (99%) compared to alpha alumina (94%), activated carbon (87%) and chitin (49%). The selenite removal was found to decrease with increasing initial Se (IV) concentration in the solution. Adsorption capacities of the adsorbents are reported in terms of their Langmuir adsorption isotherms. The adsorption capacity (on unit mass basis) of the adsorbents for selenite is in the order: chitin (specific area (sa) = 9.58 m2 g(-1)) activated carbon (sa = 96.37 m2 g(-1)) < alpha alumina (sa = 6 m2 g(-1)) < gamma alumina (sa = 150 m2 g(-1)).

  8. Mass attenuation coefficients, effective atomic and electron numbers of stainless steel and carbon steels with different energies

    International Nuclear Information System (INIS)

    Mohd Fakarudin Abdul Rahman; Mohd Iqbal Saripan; Nor Paiza Mohamad Hasan; Ismail Mustapha

    2011-01-01

    The total mass attenuation coefficients (μ/ ρ) of stainless steel (SS316L) and carbon steel (A516) that are widely used as petrochemical plant components, such as distillation column, heat exchanger, boiler and storage tank were measured at 662, 1073 and 1332 keV of photon energies. Measurements of radiation intensity for various thicknesses of steel were made by using transmission method. The γ-ray intensity were counted by using a Gamma spectrometer that contains a Hyper-pure Germanium (HPGe) detector connected with Multi Channel Analyzer (MCA). The effective numbers of atomic (Z eff ) and electron (N eff ) obtained experimentally were compared by those obtained through theoretical calculation. Both experimental and calculated values of Z eff and N eff were in good agreement. (author)

  9. A spin-frustrated cobalt(II) carbonate pyrochlore network.

    Science.gov (United States)

    Zheng, Yanzhen; Ellern, Arkady; Kögerler, Paul

    2011-11-01

    The crystal structure of the cobalt(II) carbonate-based compound cobalt(II) dicarbonate trisodium chloride, Co(CO(3))(2)Na(3)Cl, grown from a water-ethanol mixture, exhibits a three-dimensional network of corner-sharing {Co(4)(μ(3)-CO(3))(4)} tetrahedral building blocks, in which the Co(II) centres define a pyrochlore lattice and reside in a slightly distorted octahedral Co(O-CO(2))(6) environment. The space outside the hexagonal framework defined by these interlinked groups is occupied by Na(+) and Cl(-) ions. Antiferromagnetic coupling between adjacent Co(II) centres, mediated by carbonate bridges, results in geometric spin frustration which is typical for pyrochlore networks. The Co and Cl atoms reside on the special position 3, one Na atom on position 2 and a carbonate C atom on position 3.

  10. Report of a Technical Meeting on ''Alpha emitting radionuclides and radiopharmaceuticals for therapy''

    International Nuclear Information System (INIS)

    2013-01-01

    Considering the high potential of α-emitters for future development of radionuclide therapy, the International Atomic Energy Agency (IAEA) organized a Technical Meeting on ‘Alpha Emitting Radionuclides and Radiopharmaceuticals for Therapy’, from June 24 to 28, 2013, at IAEA Headquarters in Vienna with the purpose of gathering eminent Experts in the field and discuss with them the status and future perspectives of the field. Sixteen Experts and two External Observers from ten different countries, and four IAEA Technical Officers attended this meeting. Outstanding lectures have been presented covering all relevant aspects of α-therapy, which were followed by extensive discussions and analysis. Selected arguments encompassed production methods and availability of alpha-emitting radionuclides, labelling chemistry of alpha-emittting radioelements, design and development of target-specific radiopharmaceuticals, physical principles of alpha-particle dosimetry and advanced dosimetric models, biological effects of alpha radiation at the cellular level, on-going preclinical and clinical studies with new radiopharmaceuticals, results of clinical trials on the use of radium-223 chloride solutions for the treatment of metastatic bone cancer. The broad scientific background of invited components of the Experts’ panel conferred a strong interdisciplinary trait to the overall discussion and stimulated a critical analysis of this emerging unexplored field. Results of this comprehensive overview on alpha therapy, including recommendations to the Agency on suitable initiatives that may help to promote and spread the knowledge to Members States on this emerging therapeutic modality, are summarized in the present Report

  11. Matrix modification with silver for the electrothermal atomization of arsenic and selenium

    Science.gov (United States)

    Sanzolone, R.F.; Chao, T.T.

    1981-01-01

    Silver as a matrix modifier is shown to improve the carbon-rod atomization of both arsenic and selenium for atomic absorption spectrometry. Compared to nickel, the efficiency of silver is greater for arsenic and about the same for selenium. Silver fulfils two functions in its reaction, namely stabilization during the ashing stage and enhancement of absorbance in the final atomization. ?? 1981.

  12. Production, purification, and characterization of human alpha1 proteinase inhibitor from Aspergillus niger.

    Science.gov (United States)

    Chill, Liat; Trinh, Loc; Azadi, Parastoo; Ishihara, Mayumi; Sonon, Roberto; Karnaukhova, Elena; Ophir, Yakir; Golding, Basil; Shiloach, Joseph

    2009-02-15

    Human alpha one proteinase inhibitor (alpha1-PI) was cloned and expressed in Aspergillus niger, filamentious fungus that can grow in defined media and can perform glycosylation. Submerged culture conditions were established using starch as carbon source, 30% dissolved oxygen concentration, pH 7.0 and 28 degrees C. Eight milligrams per liter of active alpha1-PI were secreted to the growth media in about 40 h. Controlling the protein proteolysis was found to be an important factor in the production. The effects of various carbon sources, pH and temperature on the production and stability of the protein were tested and the product was purified and characterized. Two molecular weights variants of the recombinant alpha1-PI were produced by the fungus; the difference is attributed to the glycosylated part of the molecule. The two glycoproteins were treated with PNGAse F and the released glycans were analyzed by HPAEC, MALDI/TOF-MS, NSI-MS(n), and GC-MS. The MALDI and NSI- full MS spectra of permethylated N-glycans revealed that the N-glycans of both variants contain a series of high-mannose type glycans with 5-20 hexose units. Monosaccharide analysis showed that these were composed of N-acetylglucos-amine, mannose, and galactose. Linkage analysis revealed that the galactosyl component was in the furanoic conformation, which was attaching in a terminal non-reducing position. The Galactofuranose-containing high-mannnose type N-glycans are typical structures, which recently have been found as part of several glycoproteins produced by Aspergillus niger.

  13. Investigation of the Pygmy Dipole Resonance in (alpha, alpha 'gamma) coincidence experiments

    NARCIS (Netherlands)

    Savran, D.; Babilon, M.; van den Berg, A. M.; Harakeh, M. N.; Hasper, J.; Wortche, H. J.; Zilges, A.

    2007-01-01

    We report on first results from experiments using the (alpha, alpha'gamma) reaction at E alpha = 136 MeV to investigate bound electric dipole (El) excitations building the so-called Pygmy Dipole Resonance (PDR) in the semi-magic nucleus Ce-140. The method of (alpha, alpha'gamma) allows the

  14. Neutron diffraction study of ordering of atoms and antiphase domains in titanium carbohydrides

    International Nuclear Information System (INIS)

    Khidirov, I.; Mirzaev, B.B.; Sultanova, S.Kh.; Mukhtarova, N.N.; Getmanskiy, V.V.

    2004-01-01

    Full text: As a result of neutron diffraction study of titanium carbon hydrides of a number of compositions at the lower limit of the carbon homogeneity region (TiC 0.47 H 0.22 , TiC 0.47 H 0.19 , TiC 0.47 H 0.07 , TiC 0.50 H 0.21 ) after by heat treatment using special regime for preventing exit of hydrogen out of the lattice, five temperature ranges of temperature of structural changes are found out. 1. T ≥ 1200 o C, at which titanium carbon hydrides have disordered cubic structure, is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy octahedral interstices and the hydrogen atoms - tetrahedral ones. 2. 1000 o C ≤ T ≤ 1100 o C: it is still observed the disordered cubic structure in which the hydrogen atoms statistically are arranged on both octahedral and tetrahedral interstices. 3. 800 0 C ≤ T ≤ 1000 o C: formation of long-range order is observed. Crystal structure of the ordered phase is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy one type of octahedral interstices 16 (c) and the hydrogen atoms - the other type of octahedral interstices 16 (d). 4. 600 o C ≤ T ≤ 800 o C: the decay of ordered cubic phase with segregation of α-Ti is observed. 5. T≤ 475 o C: the formation of metastable ordered cubic phase with the formation of periodic antiphase domains is observed, at these temperatures process of the decay is hindered. It should be noted that the formation of ordered periodic antiphase domains (long-period structure) in the interstitial phase is found for the first time. This work was supported by the Center of Science and Technology of the Republic of Uzbekistan (contract No F-2.1.2)

  15. Neutron diffraction study of ordering of atoms and antiphase domains in titanium carbohydrides

    International Nuclear Information System (INIS)

    Khidirov, I.; Mirzaev, B.B.; Sultanova, S.Kh.; Mukhtarova, N.N.; Getmanskiy, V.V.

    2004-01-01

    As a result of neutron diffraction study of titanium carbon hydrides of a number of compositions at the lower limit of the carbon homogeneity region (TiC 0.47 H 0.22 , TiC 0.47 H 0.19 , TiC 0.47 H 0.07 , TiC 0.50 H 0.21 ) after by heat treatment using special regime for preventing exit of hydrogen out of the lattice, five temperature ranges of temperature of structural changes are found out. 1. T ≥ 1200 o C, at which titanium carbon hydrides have disordered cubic structure, is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy octahedral interstices and the hydrogen atoms - tetrahedral ones. 2. 1000 o C ≤ T ≤ 1100 o C: it is still observed the disordered cubic structure in which the hydrogen atoms statistically are arranged on both octahedral and tetrahedral interstices. 3. 800 0 C ≤ T ≤ 1000 o C: formation of long-range order is observed. Crystal structure of the ordered phase is described within the framework of sp. gr. Fd3m, where the carbon atoms occupy one type of octahedral interstices 16 (c) and the hydrogen atoms - the other type of octahedral interstices 16 (d). 4. 600 o C ≤ T ≤ 800 o C: the decay of ordered cubic phase with segregation of α-Ti is observed. 5. T≤ 475 o C: the formation of metastable ordered cubic phase with the formation of periodic antiphase domains is observed, at these temperatures process of the decay is hindered. It should be noted that the formation of ordered periodic antiphase domains (long-period structure) in the interstitial phase is found for the first time. This work was supported by the Center of Science and Technology of the Republic of Uzbekistan (contract No F-2.1.2). (author)

  16. Determination of total alpha activity index in samples of radioactive wastes

    International Nuclear Information System (INIS)

    Galicia C, F. J.

    2015-01-01

    This study aimed to develop a methodology of preparation and quantification of samples containing radionuclides beta and/or alpha emitters, to determine the rates of alpha and beta total activity of radioactive waste samples. For this, a device of planchettes preparer was designed, to assist the planchettes preparation in a controlled environment and free of corrosive vapors. Planchettes were prepared in three means: nitrate, carbonate and sulfate, to different mass thickness, natural uranium (alpha and beta emitter) and in case of Sr-90 (beta emitter pure) only in half nitrate; and these planchettes were quantified in an alpha/beta counter, in order to construct the self-absorption curves for alpha and beta particles. These curves are necessary to determine the rate of alpha-beta activity of any sample because they provide the self-absorption correction factor to be applied in calculating the index. Samples with U were prepared with the help of the device of planchettes preparer and subsequently were analyzed in the proportional counter Mpc-100 Pic brand. Samples with Sr-90 were prepared without the device to see if there was a different behavior with respect to obtaining mass thickness. Similarly they were calcined and carried out count in the Mpc-100. To perform the count, first the parameters of counter operating were determined: operating voltages for alpha and beta particles 630 and 1500 V respectively, a count routine was generated where the time and count type were adjusted, and counting efficiencies for alpha and beta particles, with the aid of calibration sources of 210 Po for alphas and 90 Sr for betas. According to the results, the counts per minute will decrease as increasing the mass thickness of the sample (self-absorption curve), adjusting this behavior to an exponential function in all cases studied. The minor self-absorption of alpha and beta particles in the case of U was obtained in sulfate medium. The self-absorption curves of Sr-90 follow the

  17. Increased virulence and competitive advantage of a/alpha over a/a or alpha/alpha offspring conserves the mating system of Candida albicans.

    Science.gov (United States)

    Lockhart, Shawn R; Wu, Wei; Radke, Joshua B; Zhao, Rui; Soll, David R

    2005-04-01

    The majority of Candida albicans strains in nature are a/alpha and must undergo homozygosis to a/a or alpha/alpha to mate. Here we have used a mouse model for systemic infection to test the hypothesis that a/alpha strains predominate in nature because they have a competitive advantage over a/a and alpha/alpha offspring in colonizing hosts. Single-strain injection experiments revealed that a/alpha strains were far more virulent than either their a/a or alpha/alpha offspring. When equal numbers of parent a/alpha and offspring a/a or alpha/alpha cells were co-injected, a/alpha always exhibited a competitive advantage at the time of extreme host morbidity or death. When equal numbers of an engineered a/a/alpha2 strain and its isogenic a/a parent strain were co-injected, the a/a/alpha2 strain exhibited a competitive advantage at the time of host morbidity or death, suggesting that the genotype of the mating-type (MTL) locus, not associated genes on chromosome 5, provides a competitive advantage. We therefore propose that heterozygosity at the MTL locus not only represses white-opaque switching and genes involved in the mating process, but also affects virulence, providing a competitive advantage to the a/alpha genotype that conserves the mating system of C. albicans in nature.

  18. Secondary metabolites of the argan tree (Morocco) may have ...

    African Journals Online (AJOL)

    Administrator

    knowledge, researchers are screening metabolites of this rare plant to identify bioactive compounds for .... or 29 carbon atoms. ... argan oil does not absorb oxygen to form hydroperoxides ..... dioxide: superiority to alpha-tocopherol. Proc. Nat.

  19. Four- and eight-membered rings carbon nanotubes: A new class of carbon nanomaterials

    Science.gov (United States)

    Li, Fangfang; Lu, Junzhe; Zhu, Hengjiang; Lin, Xiang

    2018-06-01

    A new class of carbon nanomaterials composed of alternating four- and eight-membered rings is studied by density functional theory (DFT), including single-walled carbon nanotubes (SWCNTs) double-walled carbon nanotubes (DWCNTs) and triple-walled CNTs (TWCNTs). The analysis of geometrical structure shows that carbon atoms' hybridization in novel carbon tubular clusters (CTCs) and the corresponding carbon nanotubes (CNTs) are both sp2 hybridization; The thermal properties exhibit the high stability of these new CTCs. The results of energy band and density of state (DOS) indicate that the electronic properties of CNTs are independent of their diameter, number of walls and chirality, exhibit obvious metal properties.

  20. Chemical reactivity of {alpha}-isosaccharinic acid in heterogeneous alkaline systems

    Energy Technology Data Exchange (ETDEWEB)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-15

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, {alpha}- isosaccharinic acid ({alpha}-ISA) is the strongest complexant. The prediction of the equilibrium concentration of {alpha}-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of {alpha}-ISA in heterogeneous alkaline model systems containing either Ca(OH){sub 2} or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of {alpha}-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 {sup o}C or 90 {sup o}C, and under anaerobic atmospheres obtained by various methods. It was found that {alpha}-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than {alpha}-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was {approx} 50 % of the amount of {alpha}-ISA reacted. Sorption of {alpha}-ISA to Ca(OH){sub 2} contributed only to a minor extent to the loss of {alpha}-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of {alpha}-ISA. Under aerobic conditions {alpha}-ISA was

  1. The AS-76 interlaboratory experiment on the alpha spectrometric determinaion of Pu-238. Part 3: Preparation and characterization of samples

    International Nuclear Information System (INIS)

    Bortels, G.; Broothaerts, J.; Bievre, P. de

    1980-01-01

    Four plutonium samples containing 0.2, 0.8, 1.6 and 0.9 atom % of 238 Pu have been prepared for the Interlaboratory Experiment AS-76. Of these three were input solutions from a reprocessing plant. The fourth sample was from a plutonium product solution. These samples have been characterized by two alpha spectrometry laboratories and two mass spectrometry laboratories to certify the ratio of alpha activities 238 Pu/( 239 Pu + 240 Pu) and the isotopic composition, respectively

  2. Graphitic Carbon Materials Tailored for the Rapid Adsorption of Biomolecules

    Science.gov (United States)

    Pescatore, Nicholas A.

    Sepsis is an overactive inflammatory response to an infection, with 19 million cases estimated worldwide and causing organ dysfunction if left untreated. Three pro-inflammatory cytokines are seen from literature review as vital biomarkers for sepsis and are interleukin-6 (IL-6), interleukin-8 (IL-8) and tumor necrosis factor-alpha (TNF-alpha), which have the potential to be removed by hemoperfusion. This thesis examines carbon nanomaterials for their adsorption capabilities in the search for an optimal material for blood cleansing hemoperfusion application, such as mediating the effects of sepsis. Non-porous and porous carbon polymorphs and their properties are investigated in this thesis for their protein adsorption capabilities. Polymer-derived mesoporous carbons were compared to non-porous graphene nanoplatelets (GNP's) to observe changes in adsorption capacity for cytokines between porous and non-porous materials. GNP's were functionalized via high temperature vacuum annealing, air oxidation, acid oxidation and amination treatments to understand the effect of surface chemistry on adsorption. For practical use in a hemoperfusion column, polymer-derived carbon beads and composite materials such as cryogel and PTFE-GNP composites were designed and tested for their adsorption capacity. At concentrations of IL-6, IL-8, and TNF-alpha seen in septic patients, these cytokines were completely removed from the blood after 5 minutes of incubation with GNP's. Overall, a low-cost, scalable carbon adsorbent was found to provide a novel approach of rapidly removing pro-inflammatory cytokines from septic patients.

  3. Table sugar as preparation and carbon coating reagent for facile synthesis and coating of rod-shaped MnO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Hashem, Ahmed M., E-mail: ahmedh242@yahoo.co [National Research Centre, Inorganic Chemistry Department, Behoes St., Dokki, Cairo (Egypt); Abuzeid, Hanaa M. [National Research Centre, Inorganic Chemistry Department, Behoes St., Dokki, Cairo (Egypt); Nikolowski, Kristian; Ehrenberg, Helmut [Institute for Complex Materials, IFW Dresden, Helmholtzstr. 20, D-01069 Dresden (Germany)

    2010-05-14

    Rod-shaped {alpha}-MnO{sub 2} has been synthesized by a novel and facile wet chemical method using simple sugar and potassium permanganate. Redox reaction between KMnO{sub 4} and sucrose is carried out in an acidic medium. Acidic medium provides a reducing character to sucrose through its decomposition to elemental carbon. Carbon coating process was done using simple sugar also as a source for carbon in an absolute ethanol with heating the mixture of {alpha}-MnO{sub 2} and sugar at 350 {sup o}C for an hour in an ambient atmosphere. A single phase of cryptomelane-like phase MnO{sub 2} was observed from XRD patterns for bare and carbon coated samples. TGA analysis shows the presence of carbon layer through more weight loss percent of carbon coated sample in comparison with that of carbon free MnO{sub 2}. Both virgin and carbon coated MnO{sub 2} have high thermal stability due to high percent of K inside the tunnel determined from ICP analysis. Transmission Electron Microscope (TEM) showed a rod-shaped crystal for both the parent and carbon coated {alpha}-MnO{sub 2} and confirmed the presence of a thin film of carbon around MnO{sub 2} particles. Both XRD and TEM investigations show that the prepared powders are in nano-scale. Initial capacity of about 140 mAh/g was obtained for the parent and carbon coated samples. The results show also that carbon coating process improves the capacity retention and the efficiency of {alpha}-MnO{sub 2} in comparison with that carbon free sample.

  4. THE LYMAN ALPHA REFERENCE SAMPLE: EXTENDED LYMAN ALPHA HALOS PRODUCED AT LOW DUST CONTENT

    Energy Technology Data Exchange (ETDEWEB)

    Hayes, Matthew [Universite de Toulouse, UPS-OMP, IRAP, Toulouse (France); Oestlin, Goeran; Duval, Florent; Guaita, Lucia; Melinder, Jens; Sandberg, Andreas [Department of Astronomy, Oskar Klein Centre, Stockholm University, AlbaNova University Centre, SE-106 91 Stockholm (Sweden); Schaerer, Daniel [CNRS, IRAP, 14, avenue Edouard Belin, F-31400 Toulouse (France); Verhamme, Anne; Orlitova, Ivana [Geneva Observatory, University of Geneva, 51 Chemin des Maillettes, CH-1290 Versoix (Switzerland); Mas-Hesse, J. Miguel; Oti-Floranes, Hector [Centro de Astrobiologia (CSIC-INTA), Departamento de Astrofisica, POB 78, 28691 Villanueva de la Canada (Spain); Adamo, Angela [Max Planck Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany); Atek, Hakim [Laboratoire d' Astrophysique, Ecole Polytechnique Federale de Lausanne (EPFL), Observatoire, CH-1290 Sauverny (Switzerland); Cannon, John M. [Department of Physics and Astronomy, Macalester College, 1600 Grand Avenue, Saint Paul, MN 55105 (United States); Herenz, E. Christian [Leibniz-Institut fuer Astrophysik (AIP), An der Sternwarte 16, D-14482 Potsdam (Germany); Kunth, Daniel [Institut d' Astrophysique de Paris, UMR 7095 CNRS and UPMC, 98 bis Bd Arago, F-75014 Paris (France); Laursen, Peter, E-mail: matthew@astro.su.se [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen (Denmark)

    2013-03-10

    We report on new imaging observations of the Lyman alpha emission line (Ly{alpha}), performed with the Hubble Space Telescope, that comprise the backbone of the Lyman alpha Reference Sample. We present images of 14 starburst galaxies at redshifts 0.028 < z < 0.18 in continuum-subtracted Ly{alpha}, H{alpha}, and the far ultraviolet continuum. We show that Ly{alpha} is emitted on scales that systematically exceed those of the massive stellar population and recombination nebulae: as measured by the Petrosian 20% radius, R{sub P20}, Ly{alpha} radii are larger than those of H{alpha} by factors ranging from 1 to 3.6, with an average of 2.4. The average ratio of Ly{alpha}-to-FUV radii is 2.9. This suggests that much of the Ly{alpha} light is pushed to large radii by resonance scattering. Defining the Relative Petrosian Extension of Ly{alpha} compared to H{alpha}, {xi}{sub Ly{alpha}} = R {sup Ly{alpha}}{sub P20}/R {sup H{alpha}}{sub P20}, we find {xi}{sub Ly{alpha}} to be uncorrelated with total Ly{alpha} luminosity. However, {xi}{sub Ly{alpha}} is strongly correlated with quantities that scale with dust content, in the sense that a low dust abundance is a necessary requirement (although not the only one) in order to spread Ly{alpha} photons throughout the interstellar medium and drive a large extended Ly{alpha} halo.

  5. Atomic layer deposition of ruthenium on plasma-treated vertically aligned carbon nanotubes for high-performance ultracapacitors.

    Science.gov (United States)

    Kim, Jun Woo; Kim, Byungwoo; Park, Suk Won; Kim, Woong; Shim, Joon Hyung

    2014-10-31

    It is challenging to realize a conformal metal coating by atomic layer deposition (ALD) because of the high surface energy of metals. In this study, ALD of ruthenium (Ru) on vertically aligned carbon nanotubes (CNTs) was carried out. To activate the surface of CNTs that lack surface functional groups essential for ALD, oxygen plasma was applied ex situ before ALD. X-ray photoelectron spectroscopy and Raman spectroscopy confirmed surface activation of CNTs by the plasma pretreatment. Transmission electron microscopy analysis with energy-dispersive x-ray spectroscopy composition mapping showed that ALD Ru grew conformally along CNTs walls. ALD Ru/CNTs were electrochemically oxidized to ruthenium oxide (RuOx) that can be a potentially useful candidate for use in the electrodes of ultracapacitors. Electrode performance of RuOx/CNTs was evaluated using cyclic voltammetry and galvanostatic charge-discharge measurements.

  6. Induction, purification, and characterization of two extracellular alpha-L-arabinofuranosidases from Fusarium oxysporum

    DEFF Research Database (Denmark)

    Panagiotou, Gianni; Topakas, E.; Economou, L.

    2003-01-01

    In the presence of L-arabinose as sole carbon source, Fusarium oxysporum produces two alpha-L-arabinofuranosidases (ABFs) named ABF1 and ABF2, with molecular masses of 200 and 180 kDa, respectively. The two F. oxysporum proteins have been purified to homogeneity. The purified enzymes are composed...

  7. Adsorption configurations of two nitrogen atoms on graphene

    International Nuclear Information System (INIS)

    Rani, Babita; Jindal, V. K.; Dharamvir, Keya

    2014-01-01

    We present calculations for different possible configurations of two nitrogen adatoms on graphene using the code VASP, based on Density Functional Theory (DFT). Two N atoms adsorbed on the graphene sheet can share a bond in two ways. They take positions either just above two adjacent carbon atoms or they form a bridge across opposite bonds of a hexagon in the graphene sheet. Both these configurations result into structural distortion of the sheet. Another stable configuration involving two N atoms consists of an N 2 molecule which is physisorbed at a distance 3.69 Å on the graphene sheet. Two N atoms can also be adsorbed on alternate bridge sites of neighbouring hexagons of graphene. This configuration again leads to distortion of the sheet in perpendicular direction

  8. Final report on LDRD project : narrow-linewidth VCSELs for atomic microsystems.

    Energy Technology Data Exchange (ETDEWEB)

    Chow, Weng Wah; Geib, Kent Martin; Peake, Gregory Merwin; Serkland, Darwin Keith

    2011-09-01

    Vertical-cavity surface-emitting lasers (VCSELs) are well suited for emerging photonic microsystems due to their low power consumption, ease of integration with other optical components, and single frequency operation. However, the typical VCSEL linewidth of 100 MHz is approximately ten times wider than the natural linewidth of atoms used in atomic beam clocks and trapped atom research, which degrades or completely destroys performance in those systems. This report documents our efforts to reduce VCSEL linewidths below 10 MHz to meet the needs of advanced sub-Doppler atomic microsystems, such as cold-atom traps. We have investigated two complementary approaches to reduce VCSEL linewidth: (A) increasing the laser-cavity quality factor, and (B) decreasing the linewidth enhancement factor (alpha) of the optical gain medium. We have developed two new VCSEL devices that achieved increased cavity quality factors: (1) all-semiconductor extended-cavity VCSELs, and (2) micro-external-cavity surface-emitting lasers (MECSELs). These new VCSEL devices have demonstrated linewidths below 10 MHz, and linewidths below 1 MHz seem feasible with further optimization.

  9. Many Phases of Carbon

    Indian Academy of Sciences (India)

    According to the electronic configuration of a neutral carbon atom, there are only two unpaired .... coke. Further heating this to 2500°C - 3000°C causes an ordering .... The density of these carbon films is around 1.6-. 1.8 glee, which is less than that of graphite. The electrical conductivity of the films prepared depends on the.

  10. Smoking and serum proteins in atomic-bomb survivors in Japan

    International Nuclear Information System (INIS)

    Stram, D.O.; Akiba, S.; Neriishi, K.; Stevens, R.G.; Hosoda, Y.

    1990-01-01

    Associations of smoking habit with serum levels of total protein as well as protein fractions were studied in a population consisting of 4,739 atomic-bomb survivors and unexposed control subjects in Hiroshima, Japan who participated in the 1979-1981 period of the Adult Health Study, an ongoing health follow-up program of the Radiation Effects Research Foundation. Smoking was strongly related to serum protein concentration after correction for age, sex, and body mass index. Among current smokers, levels of total protein, beta globulin, and gamma globulin were significantly lower and levels of alpha-1 and alpha-2 globulin were significantly higher, when compared with nonsmokers. For serum albumin levels a decrease was also noted, but it failed to attain statistical significance. Ex-smokers were indistinguishable from nonsmokers in terms of the serum protein levels analyzed. With an increase of the amount of daily cigarette consumption, monotonic increases of serum levels were observed only in alpha-1 globulin. Duration of smoking was related to increased alpha-1 and alpha-2 globulin. Smoking duration was also associated with albumin level, but the trend was not monotonic. The radiation exposure effect on serum protein level was significant in several instances but was in general much smaller than the smoking effect, and its inclusion in the regression models did not noticeably affect the association between smoking and serum proteins

  11. Synthesis and antimicrobial evaluation of new 3-alkyl/aryl-2-[((alpha,alpha-diphenyl-alpha-hydroxy)acetyl)hydrazono]-5-methyl-4-thiazolidinones.

    Science.gov (United States)

    Güzeldemirci, Nuray Ulusoy; Ilhan, Eser; Küçükbasmaci, Omer; Satana, Dilek

    2010-01-01

    New 4-thiazolidinone derivatives of benzilic acid (alpha,alpha-diphenyl-alpha-hydroxyacetic acid) have been synthesized and evaluated for antibacterial and antifungal activities. The reaction of 1- (alpha,alpha-diphenyl-alpha-hydroxy)acetyl-4-alkyl/arylthiosemicarbazides with ethyl 2-bromopropionate gave 3-alkyl/aryl-2-[((alpha,alpha-diphenyl-alpha-hydroxy)acetyl)hydrazono]-5-methyl-4-thiazolidinone derivatives. Their antibacterial and antifungal activities were evaluated against S. aureus ATCC 29213, P. aeruginosa ATCC 27853, E. coli ATCC 25922, C. albicans ATCC 10231, C. parapsilosis ATCC 22019, C. krusei ATCC 6258, T. mentagrophytes var. erinacei NCPF 375, M. gypseum NCPF 580 and T. tonsurans NCPF 245. 3e, 3f, 3g and 3h showed the highest antibacterial activity. Particularly 3a and 3e showed the highest antifungal activities against C. parapsilosis ATCC 22019, T. tonsurans NCPF 245 and M. gypseum NCPF 580.

  12. Measurement of 233U/234U ratios in contaminated groundwater using alpha spectrometry

    International Nuclear Information System (INIS)

    Harrison, Jennifer J.; Payne, Timothy E.; Wilsher, Kerry L.; Thiruvoth, Sangeeth; Child, David P.; Johansen, Mathew P.; Hotchkis, Michael A.C.

    2016-01-01

    The uranium isotope 233 U is not usually observed in alpha spectra from environmental samples due to its low natural and fallout abundance. It may be present in samples from sites in the vicinity of nuclear operations such as reactors or fuel reprocessing facilities, radioactive waste disposal sites or sites affected by clandestine nuclear operations. On an alpha spectrum, the two most abundant alpha emissions of 233 U (4.784 MeV, 13.2%; and 4.824 MeV, 84.3%) will overlap with the 234 U doublet peak (4.722 MeV, 28.4%; and 4.775 MeV, 71.4%), if present, resulting in a combined 233+234 U multiplet. A technique for quantifying both 233 U and 234 U from alpha spectra was investigated. A series of groundwater samples were measured both by accelerator mass spectrometry (AMS) to determine 233 U/ 234 U atom and activity ratios and by alpha spectrometry in order to establish a reliable 233 U estimation technique using alpha spectra. The Genie™ 2000 Alpha Analysis and Interactive Peak Fitting (IPF) software packages were used and it was found that IPF with identification of three peaks ( 234 U minor, combined 234 U major and 233 U minor, and 233 U major) followed by interference correction on the combined peak and a weighted average activity calculation gave satisfactory agreement with the AMS data across the 233 U/ 234 U activity ratio range (0.1–20) and 233 U activity range (2–300 mBq) investigated. Correlation between the AMS 233 U and alpha spectrometry 233 U was r 2  = 0.996 (n = 10). - Highlights: • Describes a technique for deconvoluting the combined 233 U and 234 U multiplet in alpha spectra. • Enables 233 U and 234 U activities and 233 U/ 234 U ratios to be quantified without requiring additional analysis and measurement. • Applicable to an environmental matrix (groundwater) using standard alpha spectrometry counting equipment, operation and set-up.

  13. Photoluminescence detection of alpha particle using DAM-ADC nuclear detector

    Energy Technology Data Exchange (ETDEWEB)

    Abdalla, Ayman M., E-mail: aymanabdalla62@hotmail.com [Department of Physics, College of Science and Arts, Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box: 1988, Najran 11001 (Saudi Arabia); Harraz, Farid A., E-mail: fharraz68@yahoo.com [Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box: 1988, Najran 11001 (Saudi Arabia); Nanostructured Materials and Nanotechnology Division, Central Metallurgical Research and Development Institute (CMRDI), P.O. Box: 87 Helwan, Cairo 11421 (Egypt); Ali, Atif M. [Department of Physics, Faculty of Science, King Khalid University, Abha (Saudi Arabia); Al-Sayari, S.A. [Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box: 1988, Najran 11001 (Saudi Arabia); College of Science and Arts-Sharoura, Najran University (Saudi Arabia); Al-Hajry, A. [Department of Physics, College of Science and Arts, Najran University, P.O. Box 1988, Najran 11001 (Saudi Arabia); Promising Centre for Sensors and Electronic Devices (PCSED), Najran University, P.O. Box: 1988, Najran 11001 (Saudi Arabia)

    2016-09-11

    The photoluminescence (PL) and UV–vis spectral analysis of DAM-ADC (diallyl maleate: DAM, polyallyl diglycol carbonate: ADC) nuclear detector are demonstrated for the first time. The DAM-ADC surfaces were exposed to thin {sup 241}Am disk source that emits alpha particles with activity 333 kBq. It is found that the track density of the irradiated samples remarkably influences the PL characteristics of the DAM-ADC detector. The spectral peak heights and the integrated intensities under the peaks exhibit linear correlations with correlation coefficient R{sup 2}=0.9636 and 0.9806, respectively for different alpha particle fluences ranging from 8.16–40.82×10{sup 7} particles/cm{sup 2}. Additionally, a correlation coefficient R{sup 2}=0.9734 was achieved for the UV–vis spectral analysis. The linear fitting functions, along with the corresponding fitting parameters were evaluated in each case. Both the PL and the UV–vis data of the irradiated DAM-ADC samples showed considerable spectral differences, and hence they would be used to offer sensitive approaches for alpha particle detection.

  14. Measurement of gamma-ray multiplicity spectra and the alpha value for {sup 235}U resonances

    Energy Technology Data Exchange (ETDEWEB)

    Grigor` ev, Yu V [Institute of Physics and Power Engineering, Obninsk (Russian Federation); Georgiev, G P; Stanchik, Kh [Joint Inst. for Nuclear Research, Dubna (Russian Federation)

    1997-06-01

    Gamma spectra from 1 to 12 multiplicity were measured on th 500 m flight path of the IBR-30 reactor using a 16-section 32 L NaI(Tl) crystal scintillation detector able to hold 2 metallic samples of 90% {sup 235}U and 10% {sup 238}U 0.00137 atoms/b and 0.00411 atoms/b thick. Multiplicity spectra were obtained for resolved resonances in the E = 1-150 eV energy region. They were used to determine the value of {alpha} = {sigma}{sub {gamma}}/{sigma}{sub f} for 165 resonances of {sup 235}U. (author). 6 refs, 7 figs, 1 tab.

  15. SPIRAL STRUCTURE OF M51 - DISTRIBUTION AND KINEMATICS OF THE ATOMIC AND IONIZED HYDROGEN

    NARCIS (Netherlands)

    TILANUS, RPJ; ALLEN, RJ

    The atomic hydrogen (H I) and the H-alpha emission lines in the grand-design spiral galaxy M51 have been observed with the Westerbork Synthesis Radio Telescope and the TAURUS Fabry-Perot imaging spectrometer, respectively. Across the inner spiral arms significant tangential and radial velocity

  16. Spent fuel UO2 matrix corrosion behaviour studies through alpha-doped UO2 pellets leaching

    International Nuclear Information System (INIS)

    Muzeau, B.; Jegou, C.; Broudic, V.

    2005-01-01

    Full text of publication follows: The option of direct disposal of spent nuclear fuel in a deep geological formation raises the need to investigate the long-term behaviour of the UO 2 matrix in aqueous media subjected to α-β-γ radiations. The β-γ emitters account for the most of the activity of spent fuel at the moment it is removed from the reactor, but diminish within a millennial time frame by over three orders of magnitude to less than the long-term activity. The latter persist over much longer time periods and must therefore be taken into account over geological disposal scale. In the present investigation the UO 2 matrix corrosion under alpha radiation is studied as a function of different parameters such as: the alpha activity, the carbonates and hydrogen concentrations,.. In order to study the effect of alpha radiolysis of water on the UO 2 matrix, 238/239 Pu doped UO 2 pellets (0.22 %wt. Pu total) were fabricated with different 238 Pu/ 239 Pu ratio to reproduce the alpha activity of a 47 GWd.t HMi -1 UOX spent fuel at different milestones in time (15, 50, 1500, 10000 and 40000 years). Undoped UO 2 pellets were also available as reference sample. Leaching experiments were conducted in deionized or carbonated water (NaHCO 3 1 mM), under Argon (O 2 2 30% gas mixture. Previous experiments conducted in deionized water under argon atmosphere, have shown a good correlation between alpha activity and uranium release for the 15-, 1500- and 40000-years alpha doped UO 2 batches. Besides, uranium release in the leachate is controlled either by the kinetics, or by the thermodynamics. Provided the solubility limit of uranium is not achieved, uranium concentration increases and is only limited by the kinetics, unless precipitation occurs and the uranium concentration remains constant over time. These controls are highly dependant on the solution chemistry (HCO 3 - , pH, Eh,..), the atmosphere (Ar, Ar/H 2 ,..), and the radiolysis strength. The experimental matrix

  17. Lyman Alpha Control

    CERN Document Server

    Nielsen, Daniel Stefaniak

    2015-01-01

    This document gives an overview of how to operate the Lyman Alpha Control application written in LabVIEW along with things to watch out for. Overview of the LabVIEW code itself as well as the physical wiring of and connections from/to the NI PCI-6229 DAQ box is also included. The Lyman Alpha Control application is the interface between the ALPHA sequencer and the HighFinesse Wavelength Meter as well as the Lyman Alpha laser setup. The application measures the wavelength of the output light from the Lyman Alpha cavity through the Wavelength Meter. The application can use the Wavelength Meter’s PID capabilities to stabilize the Lyman Alpha laser output as well as switch between up to three frequencies.

  18. Atomic force microscopy of silica nanoparticles and carbon nanohorns in macrophages and red blood cells

    Energy Technology Data Exchange (ETDEWEB)

    Tetard, L. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Department of Physics, University of Tennessee, Knoxville, TN 37996 (United States); Passian, A., E-mail: passianan@ornl.gov [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Department of Physics, University of Tennessee, Knoxville, TN 37996 (United States); Farahi, R.H. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Thundat, T. [Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Department of Physics, University of Tennessee, Knoxville, TN 37996 (United States)

    2010-05-15

    The emerging interest in understanding the interactions of nanomaterial with biological systems necessitates imaging tools that capture the spatial and temporal distributions and attributes of the resulting nano-bio amalgam. Studies targeting organ specific response and/or nanoparticle-specific system toxicity would be profoundly benefited from tools that would allow imaging and tracking of in-vivo or in-vitro processes and particle-fate studies. Recently we demonstrated that mode synthesizing atomic force microscopy (MSAFM) can provide subsurface nanoscale information on the mechanical properties of materials at the nanoscale. However, the underlying mechanism of this imaging methodology is currently subject to theoretical and experimental investigation. In this paper we present further analysis by investigating tip-sample excitation forces associated with nanomechanical image formation. Images and force curves acquired under various operational frequencies and amplitudes are presented. We examine samples of mouse cells, where buried distributions of single-walled carbon nanohorns and silica nanoparticles are visualized.

  19. Optimum Pt and Ru atomic composition of carbon-supported Pt-Ru alloy electrocatalyst for methanol oxidation studied by the polygonal barrel-sputtering method

    International Nuclear Information System (INIS)

    Hiromi, Chikako; Inoue, Mitsuhiro; Taguchi, Akira; Abe, Takayuki

    2011-01-01

    Highlights: → The sputtered Pt and Ru form the Pt-Ru alloy nanoparticles on the carbon support. → The deposited Pt-Ru alloy particles have uniform Pt:Ru atomic ratios. → The optimum Pt:Ru ratio of the Pt-Ru/C for methanol oxidation is 58:42 at.% at 25 deg. C. → The optimum Pt:Ru ratio of 58:42 shifts to 50:50 at.% at 40 and 60 deg. C. → The polygonal barrel-sputtering method is useful to prepare the DMFC anode catalyst. - Abstract: The optimum Pt and Ru atomic composition of a carbon-supported Pt-Ru alloy (Pt-Ru/C) used in a practical direct methanol fuel cell (DMFC) anode was investigated. The samples were prepared by the polygonal barrel-sputtering method. Based on the physical properties of the prepared Pt-Ru/C samples, the Pt-Ru alloy was found to be deposited on a carbon support. The microscopic characterization showed that the deposited alloy forms nanoparticles, of which the atomic ratios of Pt and Ru (Pt:Ru ratios) are uniform and are in accordance with the overall Pt:Ru ratios of the samples. The formation of the Pt-Ru alloy is also supported by the electrochemical characterization. Based on these results, methanol oxidation on the Pt-Ru/C samples was measured by cyclic voltammetry and chronoamperometry. The results indicated that the methanol oxidation activities of the prepared samples depended on the Pt:Ru ratios, of which the optimum Pt:Ru ratio is 58:42 at.% at 25 deg. C and 50:50 at.% at 40 and 60 deg. C. This temperature dependence of the optimum Pt:Ru ratio is well explained by the relationship between the methanol oxidation reaction process and the temperature, which is reflected in the rate-determining steps considered from the activation energies. It should be noted that at 25-60 deg. C, the Pt-Ru/C with Pt:Ru = 50:50 at.% prepared by our sputtering method has the higher methanol oxidation activity than that of a commercially available sample with the identical overall Pt:Ru ratio. Consequently, the polygonal barrel-sputtering method

  20. Effect of carbon content on microstructure and mechanical properties of hot-rolled low carbon 12Cr-Ni stainless steel

    International Nuclear Information System (INIS)

    Zheng, H.; Ye, X.N.; Li, J.D.; Jiang, L.Z.; Liu, Z.Y.; Wang, G.D.; Wang, B.S.

    2010-01-01

    Research highlights: → Hot-rolled ultra low carbon martensite is characterized by dislocation cells substructure. → The formation of dislocation cells is attributed to high Ms and low interstitial atoms content. → Hot-rolled ultra low carbon 12Cr-Ni stainless steel has excellent impact toughness. → Delta ferrite deteriorates the impact toughness of hot-rolled 12Cr-Ni stainless steel. - Abstract: 12Cr-Ni stainless steels containing different carbon contents from 0.004 wt.% to 0.034 wt.% were hot-rolled and air-cooled. Their corresponding microstructures were observed with optical microscope and transmission electron microscope, and the Vickers hardness, tensile and impact tests were also carried out. It was found that the martensitic morphology was significantly influenced by carbon content. The as-received ultra low carbon martensite in the steel containing 0.004 wt.% C is characterized by dislocation cells substructure. The formation of dislocation cells is attributed to high martensite finishing point (above 400 deg. C) and low interstitial atoms content. On the other hand, the martensite in the steel containing 0.034 wt.% C consists mainly of typical martensite laths because of low martensite finishing point and high interstitial atoms content which hinder dislocation motion. Furthermore, carbon content has an evident effect on the mechanical properties of 12Cr-Ni steels. The hardness and strength of the as-received steels increase with an increase in carbon content, but their elongation and impact toughness decrease with the carbon content. The steel containing 0.004 wt.% C has excellent impact toughness due to the ultra low carbon content in the martensite composed of dislocation cells.

  1. The use of alpha-methyl-D-glucoside, a synthetic analogue of maltose, as inducer of amylase by Aspergillus sp in solid-state and submerged fermentations

    OpenAIRE

    Moreira, Fabiana G.; Lenartovicz, Veridiana; Souza, Cristina G.M. de; Ramos, Edivan P.; Peralta, Rosane M.

    2001-01-01

    The use of a methyl-D-glucoside (alphaMG), a synthetic analogue of maltose, as carbon source and inducer of amylase synthesis to several species of Aspergillus was studied in submerged and solid-state fermentations. Among a group of ten species, A. tamarii, A. fumigatus and A. flavus were able to produce biomass and high specific amylolytic activity in submerged cultures containing alphaMG as the only carbon source. In solid state fermentation, the enrichment of basal wheat bran or corn cob m...

  2. Atomic physics of the antimatter explored with slow antiprotons

    International Nuclear Information System (INIS)

    Torii, Hiroyuki A.

    2010-01-01

    Frontiers of antimatter physics are reviewed, with a focus on our ASACUSA collaboration, doing research on 'Atomic Spectroscopy And Collisions Using Slow Antiprotons' at the 'Antiproton Decelerator' facility at CERN. Antiprotonic helium atoms give a unique test ground for testing CPT invariance between particles and antiparticles. Laser spectroscopy of this exotic atom has reached a precision of a few parts per billion in determation of the antiproton mass. We also have developed techniques to decelerate antiprotons and cool them to sub-eV energies in an electromagnetic trap at ultra-high vacuum and extract them as an ultra-slow beam at typically 250 eV. This unique low-energy beam opens up the possibility to study ionization and formation of antiprotonic atoms. The antihydrogen has been synthesized at low temperature in nested Penning traps by ATRAP and ATHENA(presently ALPHA) collaborations. Confinement of this neutral anti-atoms in a trap with magnetic field gradient is being studied, with an aim of 1S-2S laser spectroscopy in the future. ASACUSA has prepared a cusp trap for production of antihydrogen atoms, and aims at microwave spectroscopy between the hyperfine states of spin-polarized antihydrogen. A wide variety of low-energy antiproton physics also includes measurement of nuclear scattering, radiational biological effects, and gravity test of antimatter. (author)

  3. 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

  4. An Analytical Model for Adsorption and Diffusion of Atoms/Ions on Graphene Surface

    Directory of Open Access Journals (Sweden)

    Yan-Zi Yu

    2015-01-01

    Full Text Available Theoretical investigations are made on adsorption and diffusion of atoms/ions on graphene surface based on an analytical continuous model. An atom/ion interacts with every carbon atom of graphene through a pairwise potential which can be approximated by the Lennard-Jones (L-J potential. Using the Fourier expansion of the interaction potential, the total interaction energy between the adsorption atom/ion and a monolayer graphene is derived. The energy-distance relationships in the normal and lateral directions for varied atoms/ions, including gold atom (Au, platinum atom (Pt, manganese ion (Mn2+, sodium ion (Na1+, and lithium-ion (Li1+, on monolayer graphene surface are analyzed. The equilibrium position and binding energy of the atoms/ions at three particular adsorption sites (hollow, bridge, and top are calculated, and the adsorption stability is discussed. The results show that H-site is the most stable adsorption site, which is in agreement with the results of other literatures. What is more, the periodic interaction energy and interaction forces of lithium-ion diffusing along specific paths on graphene surface are also obtained and analyzed. The minimum energy barrier for diffusion is calculated. The possible applications of present study include drug delivery system (DDS, atomic scale friction, rechargeable lithium-ion graphene battery, and energy storage in carbon materials.

  5. Flow injection analysis-flame atomic absorption spectrometry system for indirect determination of cyanide using cadmium carbonate as a new solid-phase reactor

    International Nuclear Information System (INIS)

    Noroozifar, M.; Khorasani-Motlagh, M.; Hosseini, S.-N.

    2005-01-01

    A new and simple flow injection system procedure has been developed for the indirect determination of cyanide. The method is based on insertion of aqueous cyanide solutions into an on-line cadmium carbonate packed column (25% m/m suspended on silica gel beads) and a sodium hydroxide with pH 10 is used as the carrier stream. The eluent containing the analyte as cadmiumcyanide complexes, produced from reaction between cadmium carbonate and cyanide, measured by flame atomic absorption spectrometry. The absorbance is proportional to the concentration of cyanide in the sample. The linear range of the system is up to 15 mg L -1 with a detection limit 0.2 mg L -1 and sampling rate 72 h -1 . The method is suitable for determination of cyanide in industrial waste waters with a relative standard deviation better than 1.22%

  6. Alpha - Skew Pi - Armendariz Rings

    Directory of Open Access Journals (Sweden)

    Areej M Abduldaim

    2018-03-01

    Full Text Available In this article we introduce a new concept called Alpha-skew Pi-Armendariz rings (Alpha - S Pi - ARas a generalization of the notion of Alpha-skew Armendariz rings.Another important goal behind studying this class of rings is to employ it in order to design a modern algorithm of an identification scheme according to the evolution of using modern algebra in the applications of the field of cryptography.We investigate general properties of this concept and give examples for illustration. Furthermore, this paperstudy the relationship between this concept and some previous notions related to Alpha-skew Armendariz rings. It clearly presents that every weak Alpha-skew Armendariz ring is Alpha-skew Pi-Armendariz (Alpha-S Pi-AR. Also, thisarticle showsthat the concepts of Alpha-skew Armendariz rings and Alpha-skew Pi- Armendariz rings are equivalent in case R is 2-primal and semiprime ring.Moreover, this paper proves for a semicommutative Alpha-compatible ringR that if R[x;Alpha] is nil-Armendariz, thenR is an Alpha-S Pi-AR. In addition, if R is an Alpha - S Pi -AR, 2-primal and semiprime ring, then N(R[x;Alpha]=N(R[x;Alpha]. Finally, we look forwardthat Alpha-skew Pi-Armendariz rings (Alpha-S Pi-ARbe more effect (due to their properties in the field of cryptography than Pi-Armendariz rings, weak Armendariz rings and others.For these properties and characterizations of the introduced concept Alpha-S Pi-AR, we aspire to design a novel algorithm of an identification scheme.

  7. High-pressure phase equilibrium data for systems with carbon dioxide, {alpha}-humulene and trans-caryophyllene

    Energy Technology Data Exchange (ETDEWEB)

    Michielin, Eliane M.Z.; Rosso, Sibele R [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil); Franceschi, Elton; Borges, Gustavo R; Corazza, Marcos L; Oliveira, J Vladimir [Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim, RS, 99700-000 (Brazil); Ferreira, Sandra R.S. [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil)], E-mail: sandra@enq.ufsc.br

    2009-01-15

    The aim of this work is to report phase equilibrium data for the binary systems (CO{sub 2} + {alpha}-humulene) and (CO{sub 2} + trans-caryophyllene), and for the ternary system (CO{sub 2} + {alpha}-humulene + trans-caryophyllene). Results from literature show that {alpha}-humulene and trans-caryophyllene are the main compounds responsible for the anti-inflammatory and anti-allergic characteristics attributed to the medicinal plant Cordia verbenacea D.C., hence giving importance to the phase behaviour investigation performed in this work. Phase equilibrium experiments were performed in a high-pressure, variable-volume view cell over the temperature range of T = (303 to 343) K and pressures up to 20 MPa. (Liquid + liquid) and (vapour + liquid + liquid) equilibrium were observed at T = 303 K, while (vapour + liquid) phase transitions were verified to occur from T = (313 to 343) K, for all systems studied. Thermodynamic modelling was performed using the Peng-Robinson equation of state and the classical quadratic mixing rules, with a satisfactory agreement between experimental and calculated values.

  8. Analysis of trehalose-6-phosphate control over carbon allocation and growth in plants

    NARCIS (Netherlands)

    Aghdasi, M.

    2007-01-01

    Trehalose is the non-reducing alpha-alpha-1, 1-linked glucose disaccharide. The biosynthesic precursor of trehalose, trehalose-6-phosphate (T6P), is essential for plant development, growth, carbon utilization and alters photosynthetic capacity but its mode of action is not underestood. This thesis

  9. The tree-alpha Faddeev calculation on 12C bound states with a Pauli correct alpha-alpha potential

    International Nuclear Information System (INIS)

    Kamada, Hiroyuki; Oryu, Shinsho

    1986-01-01

    The three-alpha model of 12 C is investigated by the Faddeev formalism with the UIM alpha-alpha potential, in which the Pauli effect between two-alpha system was taken into account adequately. The potential can reproduce the on- and off-shell effects of the alpha-alpha interaction by the rank-4 separable type for the S-wave, the rank-3 one for the D-wave, and the rank-2 one for the G-wave, in which two of the ranks in the S-wave, and one in the D-wave are prepared to eliminate the Pauli forbidden states. We obtained three even states J π = 0 + , 2 + , 4 + , and two odd states 1 - , 3 - , below the alpha- 8 Be(0 + g.s) threshold energy. The even parity states gain larger binding energies than those which have been obtained by former Faddeev calculation with the rank-1 Kukulin and Neudatchin (KN) potential. On the other hand, for the odd parity states, we obtained smaller binding energies than the former one. It is found that our Faddeev calculation with the UIM potential does not miss any important low-lying levels of 12 C, in which any spurious states do not appear. (author)

  10. Accurate atom-mapping computation for biochemical reactions.

    Science.gov (United States)

    Latendresse, Mario; Malerich, Jeremiah P; Travers, Mike; Karp, Peter D

    2012-11-26

    The complete atom mapping of a chemical reaction is a bijection of the reactant atoms to the product atoms that specifies the terminus of each reactant atom. Atom mapping of biochemical reactions is useful for many applications of systems biology, in particular for metabolic engineering where synthesizing new biochemical pathways has to take into account for the number of carbon atoms from a source compound that are conserved in the synthesis of a target compound. Rapid, accurate computation of the atom mapping(s) of a biochemical reaction remains elusive despite significant work on this topic. In particular, past researchers did not validate the accuracy of mapping algorithms. We introduce a new method for computing atom mappings called the minimum weighted edit-distance (MWED) metric. The metric is based on bond propensity to react and computes biochemically valid atom mappings for a large percentage of biochemical reactions. MWED models can be formulated efficiently as Mixed-Integer Linear Programs (MILPs). We have demonstrated this approach on 7501 reactions of the MetaCyc database for which 87% of the models could be solved in less than 10 s. For 2.1% of the reactions, we found multiple optimal atom mappings. We show that the error rate is 0.9% (22 reactions) by comparing these atom mappings to 2446 atom mappings of the manually curated Kyoto Encyclopedia of Genes and Genomes (KEGG) RPAIR database. To our knowledge, our computational atom-mapping approach is the most accurate and among the fastest published to date. The atom-mapping data will be available in the MetaCyc database later in 2012; the atom-mapping software will be available within the Pathway Tools software later in 2012.

  11. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling.

    Science.gov (United States)

    Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  12. Quantum dynamics of hydrogen atoms on graphene. I. System-bath modeling

    Energy Technology Data Exchange (ETDEWEB)

    Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

    2015-09-28

    An accurate system-bath model to investigate the quantum dynamics of hydrogen atoms chemisorbed on graphene is presented. The system comprises a hydrogen atom and the carbon atom from graphene that forms the covalent bond, and it is described by a previously developed 4D potential energy surface based on density functional theory ab initio data. The bath describes the rest of the carbon lattice and is obtained from an empirical force field through inversion of a classical equilibrium correlation function describing the hydrogen motion. By construction, model building easily accommodates improvements coming from the use of higher level electronic structure theory for the system. Further, it is well suited to a determination of the system-environment coupling by means of ab initio molecular dynamics. This paper details the system-bath modeling and shows its application to the quantum dynamics of vibrational relaxation of a chemisorbed hydrogen atom, which is here investigated at T = 0 K with the help of the multi-configuration time-dependent Hartree method. Paper II deals with the sticking dynamics.

  13. Development of graphite carbon nitride based fluorescent immune sensor for detection of alpha fetoprotein

    Science.gov (United States)

    Li, Yike; Dong, Lingyu; Wang, Xiangfeng; Liu, Yuan; Liu, Hailing; Xie, Mengxia

    2018-05-01

    A novel fluorescent immunosensor for determination of alpha fetoprotein (AFP) in serum samples has been developed based on the nano graphite carbon nitride (g-C3N4) as fluorophore and immunomagnetic beads (MBs) as separation material. The bulk g-C3N4 was obtained by thermal polymerization of melamine, and then carboxylated and exfoliated to acquire the carboxylated nano g-C3N4 (c-n-g-C3N4), which has been characterized and the results showed that it had excellent fluorescent properties. The antibodies of AFP (Ab1, Ab2) were conjugated to the MBs and the c-n-g-C3N4, respectively. In assay of AFP detection, the magnetic part of the immunosensor, MBs-Ab1, would form the sandwich type complex with the signal part of the sensor, c-n-g-C3N4-Ab2. The developed immunosensor could simplify the process of separation due to the MBs. The results illustrated that proposed approach held a good linearity between the fluorescence intensity of the sensor and the AFP concentration ranging from 5-600 ng/mL with the limit of detection as low as 0.43 ng/mL, and its spiking recoveries ranged from 98.2% to 105.9% with RSD from 2.1% to 3.5%. The fabricated fluorescent immunosensor possesses the merits of good sensitivity, excellent selectivity, high biocompatibility and low cost, and the results provide a novel clue to develop immunosensor for determination of the biomarkers in complex matrices.

  14. Metals on graphene and carbon nanotube surfaces: From mobile atoms to atomtronics to bulk metals to clusters and catalysts

    KAUST Repository

    Sarkar, Santanu C.

    2014-01-14

    In this Perspective, we present an overview of recent fundamental studies on the nature of the interaction between individual metal atoms and metal clusters and the conjugated surfaces of graphene and carbon nanotube with a particular focus on the electronic structure and chemical bonding at the metal-graphene interface. We discuss the relevance of organometallic complexes of graphitic materials to the development of a fundamental understanding of these interactions and their application in atomtronics as atomic interconnects, high mobility organometallic transistor devices, high-frequency electronic devices, organometallic catalysis (hydrogen fuel generation by photocatalytic water splitting, fuel cells, hydrogenation), spintronics, memory devices, and the next generation energy devices. We touch on chemical vapor deposition (CVD) graphene grown on metals, the reactivity of its surface, and its use as a template for asymmetric graphene functionalization chemistry (ultrathin Janus discs). We highlight some of the latest advances in understanding the nature of interactions between metals and graphene surfaces from the standpoint of metal overlayers deposited on graphene and SWNT thin films. Finally, we comment on the major challenges facing the field and the opportunities for technological applications. © 2013 American Chemical Society.

  15. Synthesis of tritiated 1-alpha-methadol and 1-alpha-acetylmethadol

    Energy Technology Data Exchange (ETDEWEB)

    Thang, D.C.; Nam, N.H.; Pontikis, R. (Institut National de la Sante et de la Recherche Medicale (INSERM), Hopital Fernand Widal, 75 - Paris (France)); Pichat, L. (CEA Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Service des Molecules Marquees)

    1982-04-01

    dl-Methadone was resolved by crystallization of its ammonium d- ..cap alpha.. -bromocamphor-..pi..-sulfonate salt to give d-methadone. The latter in ethyl acetate solution was reduced with tritium gas to 1-..cap alpha..-methadol /sup 3/H in presence of Adams platinum oxide at normal temperature and pressure. Acetylation of 1-..cap alpha..-carbinol hydrochloride by means of acetyl chloride afforded 1-..cap alpha..-acetylmethadol /sup 3/H, specific activity: 20 Ci/mMole. The positions and extent of tritium labelling were determined by /sup 3/H NMR spectroscopy.

  16. Variation of the uranium monocarbide parameter with changes in the carbon content; Variations du parametre du monocarbure d'uranium en fonction de sa teneur en carbone

    Energy Technology Data Exchange (ETDEWEB)

    Magnier, P; Accary, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    The authors show that the chemical species uranium monocarbide is only a particular composition of the uranium-carbon alloy phase containing between 48 and 50 atoms per cent of carbon, and that the crystalline parameter of this phase varies simultaneously from 4.956 to 4.961 Angstroms. (authors) [French] Les auteurs montrent que l'espece chimique monocarbure d'uranium n'est qu'une composition particuliere de la phase des alliages uranium carbone contenant entre 48 et 50 atomes pour cent de carbone et que le parametre cristallin de cette phase varie simultanement de 4.956 a 4.961 Angstroms.

  17. The Mean Excitation Energy of Atomic Ions

    DEFF Research Database (Denmark)

    Sauer, Stephan; Oddershede, Jens; Sabin, John R.

    2015-01-01

    A method for calculation of the mean excitation energies of atomic ions is presented, making the calculation of the energy deposition of fast ions to plasmas, warm, dense matter, and complex biological systems possible. Results are reported to all ions of helium, lithium, carbon, neon, aluminum...

  18. Thermal characteristics of carbon fiber reinforced epoxy containing multi-walled carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Jin-woo Lee

    2018-06-01

    Full Text Available The material with irregular atomic structures such as polymer material exhibits low thermal conductivity because of the complex structural properties. Even materials with same atomic configurations, thermal conductivity may be different based on their structural properties. It is expected that nanoparticles with conductivity will change non-conductive polymer base materials to electrical conductors, and improve the thermal conductivity even with extremely small filling amount. Nano-composite materials contain nanoparticles with a higher surface ratio which makes the higher interface percentage to the total surface of nanoparticles. Therefore, thermal resistance of the interface becomes a dominating factor determines the effective thermal conductivity in nano-composite materials. Carbon fiber has characteristic of resistance or magnetic induction and Also, Carbon nanotube (CNT has electronic and thermal property. It can be applied for heating system. These characteristic are used as heating composite. In this research, the exothermic characteristics of Carbon fiber reinforced composite added CNT were evaluated depend on CNT length and particle size. It was found that the CNT dispersed in the resin reduces the resistance between the interfaces due to the decrease in the total resistance of the heating element due to the addition of CNTs. It is expected to improve the life and performance of the carbon fiber composite material as a result of the heating element resulting from this paper. Keywords: Carbon Nanotube (CNT, Carbon Fiber Reinforcement Plastic (CFRP, Heater, Exothermic characteristics

  19. An in situ infrared study of dimethyl carbonate synthesis from carbon dioxide and methanol over zirconia

    International Nuclear Information System (INIS)

    Jung, Kyeong Taek; Bell, Alexis T.

    2001-01-01

    The mechanism of dimethyl carbonate (DMC) synthesis from methanol and carbon dioxide over monoclinic zirconia has been investigated using in situ infrared spectroscopy. The dissociative adsorption of methanol occurs more slowly than the adsorption of carbon dioxide, but the species formed from methanol are bound more strongly. Upon adsorption, the oxygen atom of methanol binds to coordinately unsaturated Zr4+ cations present at the catalyst surface. Rapid dissociation of the adsorbed methanol leads to the formation of a methoxide group (Zr-OCH3) and the release of a proton, which reacts with a surface hydroxyl group to produce water. Carbon dioxide inserts in the Zr-O bond of the methoxide to form a mondentate methyl carbonate group (Zr-OC(O)OCH3). This process is facilitated by the interactions of C and O atoms in CO2 with Lewis acid-base pairs of sites (Zr4+O2-) on the surface of the catalyst. Methyl carbonate species can also be produced via the reaction of methanol with carbon dioxide adsorbed in the form of bicarbonate species with methanol, a process that results in the transfer of a methyl group to the carbonate and restores a hydroxyl group to the zirconia surface. The decomposition of DMC on monoclinic zirconia has also been investigated and has been observed to occur via the reverse of the processes described for the synthesis of DMC

  20. On the trends of Fukui potential and hardness potential derivatives in isolated atoms vs. atoms in molecules.

    Science.gov (United States)

    Bhattacharjee, Rituparna; Roy, Ram Kinkar

    2014-10-28

    In the present study, trends of electronic contribution to molecular electrostatic potential [Vel(r¯)(r=0)], Fukui potential [v(+)f|(r=0) and v(-)f|(r=0)] and hardness potential derivatives [Δ(+)h(k) and Δ(-)h(k)] for isolated atoms as well as atoms in molecules are investigated. The generated numerical values of these three reactivity descriptors in these two electronically different situations are critically analyzed through the relevant formalism. Values of Vel(r¯) (when r → 0, i.e., on the nucleus) are higher for atoms in molecules than that of isolated atoms. In contrast, higher values of v(+)|(r=0) and v(-)|(r=0) are observed for isolated atoms compared to the values for atoms in a molecule. However, no such regular trend is observed for the Δ(+)h(k) and Δ(-)h(k) values, which is attributed to the uncertainty in the Fukui function values of atoms in molecules. The sum of Fukui potential and the sum of hardness potential derivatives in molecules are also critically analyzed, which shows the efficacy of orbital relaxation effects in quantifying the values of these parameters. The chemical consequence of the observed trends of these descriptors in interpreting electron delocalization, electronic relaxation and non-negativity of atomic Fukui function indices is also touched upon. Several commonly used molecules containing carbon as well as heteroatoms are chosen to make the investigation more insightful.

  1. Revisit of the Saito-Dresselhaus-Dresselhaus C2 ingestion model: on the mechanism of atomic-carbon-participated fullerene growth.

    Science.gov (United States)

    Wang, Wei-Wei; Dang, Jing-Shuang; Zhao, Xiang; Nagase, Shigeru

    2017-11-09

    We introduce a mechanistic study based on a controversial fullerene bottom-up growth model proposed by R. Saito, G. Dresselhaus, and M. S. Dresselhaus. The so-called SDD C 2 addition model has been dismissed as chemically inadmissible but here we prove that it is feasible via successive atomic-carbon-participated addition and migration reactions. Kinetic calculations on the formation of isolated pentagon rule (IPR)-obeying C 70 and Y 3 N@C 80 are carried out by employing the SDD model for the first time. A stepwise mechanism is proposed with a considerably low barrier of ca. 2 eV which is about 3 eV lower than a conventional isomerization-containing fullerene growth pathway.

  2. Quantitative determination of Quarternary alicyclic carbon atoms in coal and oil using nuclear magnetic resonance /sup 13/C method

    Energy Technology Data Exchange (ETDEWEB)

    Afonina, T.V.; Kushnarev, D.F.; Randin, O.I.; Shishkov, V.F.; Kalabin, G.A.

    1986-09-01

    Possibility is indicated for utilizing nuclear magnetic resonance spectroscopy for quantitative determination of Quarternary aliphatic carbon atoms in heavy hydrocarbon fractions of oil and coal extracts. C/sub n/, CH, CH/sub 2/ and CH/sub 3/ content in coal and oil samples are determined and corresponding resonance lines are referred to individual structural fragments (on the basis of nuclear magnetic resonance /sup 13/C spectra) of known saturated hydrocarbons. Tests were carried out on chloroform extracts of Irsha-Borodinsk coal, Mungunsk coal and paraffin and cycloparaffin of Sivinsk oil (b.p. over 550 C) fractions. Nuclear magnetic resonance spectra were obtained using Burker WP 200 spectrometer (50.13 MHz frequency). Results of the tests are given. 11 references.

  3. X-ray and neutron scattering from amorphous diamondlike carbon and hydrocarbon films

    International Nuclear Information System (INIS)

    Findeisen, E.

    1994-10-01

    In this report amorphous, diamondlike, carbon and hydrocarbon films are investigated by two different methods, namely, X-ray scattering and a combination of X-ray and neutron reflectivity. As specular reflectivity probes the scattering length density profile of a sample perpendicular to its surface, the combination of X-ray and neutron reflectivity reveals the nuclei density of both carbon and hydrogen separately. This allows to calculate the concentration of hydrogen in the films, which varies in the presented experiments between 0 and 36 atomic %. This method is a new and nondestructive technique to determine the concentration of hydrogen within an error of about ±1 at. % in samples with sharp interfaces. It is well suited for thin diamondlike carbon films. X-ray scattering is used to obtain structural information on the atomic scale, especially the average carbon-carbon distance and the average coordination number of the carbon atoms. As grazing incidence diffraction experiments were not successful, free-standing films are used for the scattering experiments with synchrotron light. However, the scattered intensity for large scattering vectors is, in spite of the intense primary beam, very weak, and therefore the accuracy of the obtained structural parameter is not sufficient to prove the diamondlike properties also on the atomic scale. (au) (10 tabs., 76 ills., 102 refs.)

  4. Contribution to the study of the effects of {alpha}-irradiation in nuclear glasses; Contribution a l'etude des effets de l'irradiation {alpha} sur les verres nucleaires

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, A

    2001-07-01

    The main topic of this work is to characterise the effects of {alpha}-disintegration in nuclear waste glasses. Experimental and numerical approaches have been considered. The structure of the French nuclear waste glass (R7T7) has been simulated using four- and six-oxides simplified glasses which contain the main elements of the R7T7 glass: SiO{sub 2}, B{sub 2}O{sub 3}, Na{sub 2}O, ZrO{sub 2}, Al{sub 2}O{sub 3} and CaO. Four- and six-oxides glasses have been irradiated with 1 MeV-He{sup +} (ionisation) and 2.1 MeV-Kr{sup 3+} (ionisation and atomic collisions) ions in order to reproduce the effects of the {alpha}-particle and of the recoil nucleus emitted during {alpha}-disintegration of actinides, and also to differentiate electronic and ballistic effects. Irradiated glasses have been characterised using several techniques, which have been adapted to the peculiarities of our samples (isolated material, small irradiated depth). The results point out the salient role of sodium in the observed modifications: depth concentration profiles obtained with RBS show an accumulation of sodium at the irradiated surface. We found a apparent acceleration of sodium release in leaching experiments which confirm that point. Modifications observed in Raman spectra of irradiated glasses show an increase of the polymerisation (increase of Q{sub 3}/Q{sub 2} ratio) due to sodium migration. In simplified glasses we have found that the modifications of mechanical properties by external irradiations reproduce the modifications observed in actinide doped nuclear glass (decrease of hardness and increase of fracture toughness). At the same time, we performed Molecular Dynamics simulations of a six-oxides glass. We have shown that the surface modifies the glass structure down to a depth of 10 Angstrom: modification of depth concentration profiles, decrease of the atomic coordination number (A1, B and Si). During cascades, we found that atomic displacements are easier near the surface. This

  5. Universal charge-mass relation: From black holes to atomic nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Hod, Shahar, E-mail: shaharhod@gmail.co [The Ruppin Academic Center, Emeq Hefer 40250 (Israel); The Hadassah Institute, Jerusalem 91010 (Israel)

    2010-10-04

    The cosmic censorship hypothesis, introduced by Penrose forty years ago, is one of the corner stones of general relativity. This conjecture asserts that spacetime singularities that arise in gravitational collapse are always hidden inside of black holes. The elimination of a black-hole horizon is ruled out by this principle because that would expose naked singularities to distant observers. We test the consistency of this prediction in a gedanken experiment in which a charged object is swallowed by a charged black hole. We find that the validity of the cosmic censorship conjecture requires the existence of a charge-mass bound of the form q{<=}{mu}{sup 2/3}E{sub c}{sup -1/3}, where q and {mu} are the charge and mass of the physical system respectively, and E{sub c} is the critical electric field for pair-production. Applying this bound to charged atomic nuclei, one finds an upper limit on the number Z of protons in a nucleus of given mass number A: Z{<=}Z{sup *}={alpha}{sup -1/3}A{sup 2/3}, where {alpha}=e{sup 2}/h is the fine structure constant. We test the validity of this novel bound against the (Z,A)-relation of atomic nuclei as deduced from the Weizsaecker semi-empirical mass formula.

  6. Density of states of adsorbed sulphur atoms on pristine and defective graphene layers

    International Nuclear Information System (INIS)

    Arellano, J S

    2017-01-01

    The density of states for adsorbed sulphur atom on a graphene layer system is discussed for pristine graphene layer and for mono and divacancies on the graphene layer. To our knowledge this is the first time that an entire adsorption of the sulphur atom is reported at the plane of the carbon atoms, when there is a pair of closer vacancies at the graphene layer. (paper)

  7. Description of atomic burials in compact globular proteins by Fermi-Dirac probability distributions.

    Science.gov (United States)

    Gomes, Antonio L C; de Rezende, Júlia R; Pereira de Araújo, Antônio F; Shakhnovich, Eugene I

    2007-02-01

    We perform a statistical analysis of atomic distributions as a function of the distance R from the molecular geometrical center in a nonredundant set of compact globular proteins. The number of atoms increases quadratically for small R, indicating a constant average density inside the core, reaches a maximum at a size-dependent distance R(max), and falls rapidly for larger R. The empirical curves turn out to be consistent with the volume increase of spherical concentric solid shells and a Fermi-Dirac distribution in which the distance R plays the role of an effective atomic energy epsilon(R) = R. The effective chemical potential mu governing the distribution increases with the number of residues, reflecting the size of the protein globule, while the temperature parameter beta decreases. Interestingly, betamu is not as strongly dependent on protein size and appears to be tuned to maintain approximately half of the atoms in the high density interior and the other half in the exterior region of rapidly decreasing density. A normalized size-independent distribution was obtained for the atomic probability as a function of the reduced distance, r = R/R(g), where R(g) is the radius of gyration. The global normalized Fermi distribution, F(r), can be reasonably decomposed in Fermi-like subdistributions for different atomic types tau, F(tau)(r), with Sigma(tau)F(tau)(r) = F(r), which depend on two additional parameters mu(tau) and h(tau). The chemical potential mu(tau) affects a scaling prefactor and depends on the overall frequency of the corresponding atomic type, while the maximum position of the subdistribution is determined by h(tau), which appears in a type-dependent atomic effective energy, epsilon(tau)(r) = h(tau)r, and is strongly correlated to available hydrophobicity scales. Better adjustments are obtained when the effective energy is not assumed to be necessarily linear, or epsilon(tau)*(r) = h(tau)*r(alpha,), in which case a correlation with hydrophobicity

  8. Atom probe tomographic studies of precipitation in Al-0.1Zr-0.1Ti (at.%) alloys.

    Science.gov (United States)

    Knipling, Keith E; Dunand, David C; Seidman, David N

    2007-12-01

    Atom probe tomography was utilized to measure directly the chemical compositions of Al(3)(Zr(1)-(x)Ti(x)) precipitates with a metastable L1(2) structure formed in Al-0.1Zr-0.1Ti (at.%) alloys upon aging at 375 degrees C or 425 degrees C. The alloys exhibit an inhomogeneous distribution of Al(3)(Zr(1)-(x)Ti(x)) precipitates, as a result of a nonuniform dendritic distribution of solute atoms after casting. At these aging temperatures, the Zr:Ti atomic ratio in the precipitates is about 10 and 5, respectively, indicating that Ti remains mainly in solid solution rather than partitioning to the Al(3)(Zr(1)-(x)Ti(x)) precipitates. This is interpreted as being due to the very small diffusivity of Ti in alpha-Al, consistent with prior studies on Al-Sc-Ti and Al-Sc-Zr alloys, where the slower diffusing Zr and Ti atoms make up a small fraction of the Al(3)(Zr(1)-(x)Ti(x)) precipitates. Unlike those alloys, however, the present Al-Zr-Ti alloys exhibit no interfacial segregation of Ti at the matrix/precipitate heterophase interface, a result that may be affected by a significant disparity in the evaporation fields of the alpha-Al matrix and Al(3)(Zr(1)-(x)Ti(x)) precipitates and/or a lack of local thermodynamic equilibrium at the interface.

  9. Application of laser fluorescence spectroscopy by two-photon excitation into atomic hydrogen density measurement in reactive plasmas

    International Nuclear Information System (INIS)

    Kajiwara, Toshinori; Takeda, Kazuyuki; Kim, Hee Je; Park, Won Zoo; Muraoka, Katsunori; Akazaki, Masanori; Okada, Tatsuo; Maeda, Mitsuo.

    1990-01-01

    Density profiles of hydrogen atoms in reactive plasmas of hydrogen and methane gases were measured, for the first time, using the laser fluorescence spectroscopy by two-photon excitation of Lyman beta transition and observation at the Balmer alpha radiation. Absolute density determinations showed atomic densities of around 3 x 10 17 m -3 , or the degree of dissociation to be 10 -4 . Densities along the axis perpendicular to the RF electrode showed peaked profiles, which were due to the balance of atomic hydrogen production by electron impact on molecules against diffusion loss to the walls. (author)

  10. Cubic martensite in high carbon steel

    Science.gov (United States)

    Chen, Yulin; Xiao, Wenlong; Jiao, Kun; Ping, Dehai; Xu, Huibin; Zhao, Xinqing; Wang, Yunzhi

    2018-05-01

    A distinguished structural characteristic of martensite in Fe-C steels is its tetragonality originating from carbon atoms occupying only one set of the three available octahedral interstitial sites in the body-centered-cubic (bcc) Fe lattice. Such a body-centered-tetragonal (bct) structure is believed to be thermodynamically stable because of elastic interactions between the interstitial carbon atoms. For such phase stability, however, there has been a lack of direct experimental evidence despite extensive studies of phase transformations in steels over one century. In this Rapid Communication, we report that the martensite formed in a high carbon Fe-8Ni-1.26C (wt%) steel at room temperature induced by applied stress/strain has actually a bcc rather than a bct crystal structure. This finding not only challenges the existing theories on the stability of bcc vs bct martensite in high carbon steels, but also provides insights into the mechanism for martensitic transformation in ferrous alloys.

  11. Extended x-ray absorption fine structure investigation of annealed carbon expanded austenite

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas L.; Somers, Marcel A. J.

    2012-01-01

    -carburized in a temperature regime around 470°C. The surface zone is converted into carbon expanded austenite; the high interstitial content of carbon dissolved in the surface results in highly favorable materials properties. In the present article the local atomic environment of (annealed) carbon expanded austenite...... austenite and Hägg carbide, Ξ-M5C2. EXAFS showed that the Cr atoms were mainly present in environments similar to the carbides Hägg Ξ-M5C2 and M23C6. The environments of the Fe and Ni atoms were concluded to be largely metallic austenite. Light optical micrograph of stainless steel AISI 316 gas...

  12. Particle beam technology for control of atomic-bonding state in materials

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Junzo [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    The atomic-bonding state in materials can be controlled through `kinetic bonding` process by energetic particle beams which have a sufficient atomic kinetic energy. In order to clarify the `kinetic bonding` process the negative-ion beam deposition is considered as an ideal method because the negative ion has no additional active energies. Sputter type heavy negative-ion sources can be used for this purpose. Carbon films prepared by carbon negative-ion beam deposition have a strong dependency of the film properties on ion beam kinetic energy and have a quite high thermal conductivity which is comparable to that of the IIb diamond at a kinetic energy of 50-100 eV/atom. It suggests that new or metastable materials could be formed through the `kinetic bonding` process. Negative-ion beams can also be used for ion implantation, in which charging problems are perfectly reduced. (author)

  13. van der Waals interaction between a microparticle and a single-walled carbon nanotube

    International Nuclear Information System (INIS)

    Blagov, E. V.; Mostepanenko, V. M.; Klimchitskaya, G. L.

    2007-01-01

    The Lifshitz-type formulas describing the free energy and the force of the van der Waals interaction between an atom (molecule) and a single-walled carbon nanotube are obtained. The single-walled nanotube is considered as a cylindrical sheet carrying a two-dimensional free-electron gas with appropriate boundary conditions on the electromagnetic field. The obtained formulas are used to calculate the van der Waals free energy and force between a hydrogen atom (molecule) and single-walled carbon nanotubes of different radii. Comparison studies of the van der Waals interaction of hydrogen atoms with single-walled and multiwalled carbon nanotubes show that depending on atom-nanotube separation distance, the idealization of graphite dielectric permittivity is already applicable to nanotubes with only two or three walls

  14. 3D hybrid carbon composed of multigraphene bridged by carbon chains

    Directory of Open Access Journals (Sweden)

    Lingyu Liu

    2018-01-01

    Full Text Available The element carbon possesses various stable and metastable allotropes; some of them have been applied in diverse fields. The experimental evidences of both carbon chain and graphdiyne have been reported. Here, we reveal the mystery of an enchanting carbon allotrope with sp-, sp2-, and sp3-hybridized carbon atoms using a newly developed ab initio particle-swarm optimization algorithm for crystal structure prediction. This crystalline allotrope, namely m-C12, can be viewed as braided mesh architecture interwoven with multigraphene and carbon chains. The m-C12 meets the criteria for dynamic and mechanical stabilities and is energetically more stable than carbyne and graphdiyne. Analysis of the B/G and Poisson’s ratio indicates that this allotrope is ductile. Notably, m-C12 is a superconducting carbon with Tc of 1.13 K, which is rare in the family of carbon allotropes.

  15. Determination of trace amounts of cadmium in sea water by a flameless atomic absorption method

    International Nuclear Information System (INIS)

    Yamazoe, Seigo; Oshima, Shozo

    1975-01-01

    Determination of trace amounts of cadmium in sea water has been developed by a flameless atomic absorption method using a carbon rod atomizer. Sea water is diluted with isopropyl alcohol and the white salt formed is removed by filtration, then the filtrate is fed to the instrument as a sample for measurement. A complete separation of the salt is not needed in this pre-treatment. The effect of the residual salt can be avoided by separating the atomic absorption of cadmium and the molecular absorption of the residual salt by means of controlling the temperature and the time of ashing and atomization of the sample in the carbon rod. The repeatability and the accuracy are 2.0--8.5% in the coefficient of variation and 0.8--5.3% respectively. (auth.)

  16. Cohesion Energetics of Carbon Allotropes: Quantum Monte Carlo Study

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Hyeondeok [Konkuk University, South Korea; Kang, Sinabro [Konkuk University, South Korea; Koo, Jahyun [Konkuk University, South Korea; Lee, Hoonkyung [Konkuk University, South Korea; Kim, Jeongnim [ORNL; Kwon, Yongkyung [Konkuk University, South Korea

    2014-01-01

    We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including sp3-bonded diamond, sp2-bonded graphene, sp-sp2 hybridized graphynes, and sp-bonded carbyne. The comput- ed cohesive energies of diamond and graphene are found to be in excellent agreement with the corresponding values de- termined experimentally for diamond and graphite, respectively, when the zero-point energies, along with the interlayer binding in the case of graphite, are included. We have also found that the cohesive energy of graphyne decreases system- atically as the ratio of sp-bonded carbon atoms increases. The cohesive energy of -graphyne, the most energetically- stable graphyne, turns out to be 6.766(6) eV/atom, which is smaller than that of graphene by 0.698(12) eV/atom. Experi- mental difficulty in synthesizing graphynes could be explained by their significantly smaller cohesive energies. Finally we conclude that the cohesive energy of a newly-proposed two-dimensional carbon network can be accurately estimated with the carbon-carbon bond energies determined from the cohesive energies of graphene and three different graphynes.

  17. Fabrication and atomic force microscopy/friction force microscopy (AFM/FFM) studies of polyacrylamide-carbon nanotubes (PAM-CNTs) copolymer thin films

    International Nuclear Information System (INIS)

    Li Xuefeng; Guan Wenchao; Yan Haibiao; Huang Lan

    2004-01-01

    A novel polyacrylamide-carbon nanotubes (PAM-CNTs) copolymer has been prepared by ultraviolet radiation initiated polymerization. The PAM-CNTs copolymer was characterized by the instruments of Fourier transform infrared spectroscopy, UV-vis absorbance spectra, fluorescence spectra and transmission electron microscope. The morphology and microtribological properties of PAM-CNTs thin films on mica were investigated by atomic force microscopy/friction force microscopy (AFM/FFM). The friction of the films was stable with the change of applied load and the friction coefficient decreased significantly as the CNTs addition. The results show that the rigid rod-like CNTs in polymer would enhance load-bearing and anti-wear properties of the thin films

  18. Secondary electron emission of thin carbon foils under the impact of hydrogen atoms, ions and molecular ions, under energies within the MeV range

    International Nuclear Information System (INIS)

    Vidovic, Z.

    1997-06-01

    This work focuses on the study of the emission statistics of secondary electrons from thin carbon foils bombarded with H 0 , H 2 + and H 3 + projectiles in the 0.25-2.2 MeV energy range. The phenomenon of secondary electron emission from solids under the impact of swift ions is mainly due to inelastic interactions with target electrons. The phenomenological and theoretical descriptions, as well as a summary of the main theoretical models are the subject of the first chapter. The experimental set-up used to measure event by event the electron emission of the two faces of a thin carbon foil traversed by an energetic projectile is described in the chapter two. In this chapter are also presented the method and algorithms used to process experimental spectra in order to obtain the statistical distribution of the emitted electrons. Chapter three presents the measurements of secondary electron emission induced by H atoms passing through thin carbon foils. The secondary electron yields are studied in correlation with the emergent projectile charge state. We show the peculiar role of the projectile electron, whether it remains or not bound to the incident proton. The fourth chapter is dedicated to the secondary electron emission induced by H 2 + and H 3 + polyatomic ions. The results are interpreted in terms of collective effects in the interactions of these ions with solids. The role of the proximity of the protons, molecular ion fragments, upon the amplitude of these collective effects is evidenced from the study of the statistics of forward emission. These experiences allowed us to shed light on various aspects of atom and polyatomic ion inter-actions with solid surfaces. (author)

  19. Hippocampal 3alpha,5alpha-THP may alter depressive behavior of pregnant and lactating rats.

    Science.gov (United States)

    Frye, Cheryl A; Walf, Alicia A

    2004-07-01

    The 5alpha-reduced metabolite of progesterone (P), 5alpha-pregnan-3alpha-ol-20-one (3alpha,5alpha-THP), may mediate progestins' effects to reduce depressive behavior of female rats in part through actions in the hippocampus. To investigate, forced swim test behavior and plasma and hippocampal progestin levels were assessed in groups of rats expected to differ in their 3alpha,5alpha-THP levels due to endogenous differences (pregnant and postpartum), administration of a 5alpha-reductase inhibitor (finasteride; 50 mg/kg sc), and/or gestational stress [prenatal stress (PNS)], an animal model of depression. Pregnant rats had higher plasma and hippocampal 3alpha,5alpha-THP levels and less depressive behavior (decreased immobility, increased struggling and swimming) in the forced swim test than did postpartum rats. Finasteride, compared to vehicle-administration, reduced plasma and hippocampal 3alpha,5alpha-THP levels and increased depressive behavior (increased immobility, decreased struggling and swimming). PNS was associated with lower hippocampal, but not plasma, 3alpha,5alpha-THP levels and increased swimming compared to that observed in control rats. Together, these data suggest that 3alpha,5alpha-THP in the hippocampus may mediate antidepressive behavior of female rats.

  20. The relationship of uranium isotopes to oxidation/reduction in the Edwards carbonate aquifer of Texas

    International Nuclear Information System (INIS)

    Cowart, J.B.

    1980-01-01

    The concentration of dissolved uranium and 234 U/ 238 U alpha activity ratio ( A.R. ) were determined in water samples from 23 locations in the Edwards carbonate aquifer of south central Texas by isotope dilution methods and alpha spectrometry. (orig./ME)

  1. 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.

  2. Nano-soldering to single atomic layer

    Science.gov (United States)

    Girit, Caglar O [Berkeley, CA; Zettl, Alexander K [Kensington, CA

    2011-10-11

    A simple technique to solder submicron sized, ohmic contacts to nanostructures has been disclosed. The technique has several advantages over standard electron beam lithography methods, which are complex, costly, and can contaminate samples. To demonstrate the soldering technique graphene, a single atomic layer of carbon, has been contacted, and low- and high-field electronic transport properties have been measured.

  3. 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.

  4. Emission Channeling Studies of the Lattice Site of Oversized Alkali Atoms Implanted in Metals

    CERN Multimedia

    2002-01-01

    % IS340 \\\\ \\\\ As alkali atoms have the largest atomic radius of all elements, the determination of their lattice configuration following implantation into metals forms a critical test for the various models predicting the lattice site of implanted impurity atoms. The site determination of these large atoms will especially be a crucial check for the most recent model that relates the substitutional fraction of oversized elements to their solution enthalpy. Recent exploratory $^{213}$Fr and $^{221}$Fr $\\alpha$-emission channeling experiments at ISOLDE-CERN and hyperfine interaction measurements on Fr implanted in Fe gave an indication for anomalously large substitutional fractions. To investigate further the behaviour of Fr and other alkali atoms like Cs and Rb thoroughly, more on-line emission channeling experiments are needed. We propose a number of shifts for each element, where the temperature of the implanted metals will be varied between 50$^\\circ$ and 700$^\\circ$~K. Temperature dependent measurements wi...

  5. Carbonate Mineral Formation on Mars: Clues from Stable Isotope Variation Seen in Cryogenic Laboratory Studies of Carbonate Salts

    Science.gov (United States)

    Socki, Richard; Niles, Paul B.; Sun, Tao; Fu, Qi; Romanek, Christopher S.; Gibson, Everett K.

    2013-01-01

    The geologic history of water on the planet Mars is intimately connected to the formation of carbonate minerals through atmospheric CO2 and its control of the climate history of Mars. Carbonate mineral formation under modern martian atmospheric conditions could be a critical factor in controlling the martian climate in a means similar to the rock weathering cycle on Earth. The combination of evidence for liquid water on the martian surface and cold surface conditions suggest fluid freezing could be very common on the surface of Mars. Cryogenic calcite forms readily when a rise in pH occurs as a result of carbon dioxide degassing quickly from freezing Ca-bicarbonate-rich water solutions. This is a process that has been observed in some terrestrial settings such as arctic permafrost cave deposits, lakebeds of the Dry Valleys of Antarctica, and in aufeis (river icings) from rivers of N.E. Alaska. We report here the results of a series of laboratory experiments that were conducted to simulate potential cryogenic carbonate formation on the planet Mars. These results indicate that carbonates grown under martian conditions (controlled atmospheric pressure and temperature) show enrichments from starting bicarbonate fluids in both carbon and oxygen isotopes beyond equilibrium values with average delta13C(DIC-CARB) values of 20.5%0 which exceed the expected equilibrium fractionation factor of [10(sup 3) ln alpha = 13%0] at 0 degC. Oxygen isotopes showed a smaller enrichment with delta18O(H2O-CARB) values of 35.5%0, slightly exceeding the equilibrium fractionation factor of [10(sup 3) ln alpha = 34%0 ] at 0degC. Large kinetic carbon isotope effects during carbonate precipitation could substantially affect the carbon isotope evolution of CO2 on Mars allowing for more efficient removal of 13C from the Noachian atmosphere enriched by atmospheric loss. This mechanism would be consistent with the observations of large carbon isotope variations in martian materials despite the

  6. The heavy quarkonium spectrum at order $m\\alpha_{s}^{5}\\ln\\alpha_{s}$

    CERN Document Server

    Brambilla, Nora; Soto, Joan; Vairo, Antonio

    1999-01-01

    We compute the complete leading-log terms of the next-to-next-to-next-to-leading-order corrections to potential NRQCD. As a by-product we obtain the leading logs at $O(m\\alpha_s^5)$ in the heavy quarkonium spectrum. These leading logs, when $\\Lambda_{QCD} \\ll m\\alpha_s^2$, give the complete $O(m\\alpha_s^5 \\ln \\alpha_s)$ corrections to the heavy quarkonium spectrum.

  7. Room-temperature growth of a carbon nanofiber on the tip of conical carbon protrusions

    International Nuclear Information System (INIS)

    Tanemura, Masaki; Okita, T.; Yamauchi, H.; Tanemura, S.; Morishima, R.

    2004-01-01

    Glassy carbon was Ar + -ion bombarded with a simultaneous Mo supply under ultrahigh vacuum conditions using a microprotrusion fabrication system that consists of a differentially pumped ion gun and a seed-material supply source. Conical protrusions were formed by sputtering with a seed supply, and carbon nanofibers (CNFs) grew on the tips even at room temperature. The length of CNFs reached up to ∼10 μm, and their diameter was almost uniform (50 nm) in the growth direction. The short CNFs aligned in the ion beam direction, whereas the long ones were non-aligned. The CNF growth on a glassy carbon surface was ascribed to the enhanced surface texturing and to the massive redeposition of C atoms onto cones, both of which are specific to the oblique ion bombardment: The former would lead to an increase in the number of possible nucleation sites for the CNF growth, and the C atoms arising from the latter process would migrate toward the conical tips, thus forming CNFs

  8. Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H2 Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton-Transfer Dynamics of the Boroalkoxide Intermediate.

    Science.gov (United States)

    Heshmat, Mojgan; Privalov, Timofei

    2017-07-06

    By using transition-state (TS) calculations, we examined how Lewis acid (LA) complexation activates carbonyl compounds in the context of hydrogenation of carbonyl compounds by H 2 in Lewis basic (ethereal) solvents containing borane LAs of the type (C 6 F 5 ) 3 B. According to our calculations, LA complexation does not activate a ketone sufficiently enough for the direct addition of H 2 to the O=C unsaturated bond; but, calculations indicate a possibly facile heterolytic cleavage of H 2 at the activated and thus sufficiently Lewis acidic carbonyl carbon atom with the assistance of the Lewis basic solvent (i.e., 1,4-dioxane or THF). For the solvent-assisted H 2 splitting at the carbonyl carbon atom of (C 6 F 5 ) 3 B adducts with different ketones, a number of TSs are computed and the obtained results are related to insights from experiment. By using the Born-Oppenheimer molecular dynamics with the DFT for electronic structure calculations, the evolution of the (C 6 F 5 ) 3 B-alkoxide ionic intermediate and the proton transfer to the alkoxide oxygen atom were investigated. The results indicate a plausible hydrogenation mechanism with a LA, that is, (C 6 F 5 ) 3 B, as a catalyst, namely, 1) the step of H 2 cleavage that involves a Lewis basic solvent molecule plus the carbonyl carbon atom of thermodynamically stable and experimentally identifiable (C 6 F 5 ) 3 B-ketone adducts in which (C 6 F 5 ) 3 B is the "Lewis acid promoter", 2) the transfer of the solvent-bound proton to the oxygen atom of the (C 6 F 5 ) 3 B-alkoxide intermediate giving the (C 6 F 5 ) 3 B-alcohol adduct, and 3) the S N 2-style displacement of the alcohol by a ketone or a Lewis basic solvent molecule. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Ionized carbon atomic ISM explorer (ICE)

    International Nuclear Information System (INIS)

    Kulkarni, S.R.; Watson, D.M.

    1987-01-01

    An Explorer-class satellite for an all-sky survey in the forbidden C II 157.7-micron line at low angular resolution (4 arcmin) and high spectral resolution (0.3 km/s) with complete Galactic velocity coverage (+ or - 300 km/s) is proposed. The C II line is as ubiquitous as the H I 21-cm line and the 2.6-mm line of CO and in addition provides crucial information complementary to the 21-cm and 2.6-mm data. Such a survey will map the large-scale Galactic distribution of the three phases of the atomic component as well as identify photoionized edges of star-forming regions. In particular, it will cleanly separate the cold, diffuse clouds and the intercloud H I along every line of sight. It will map the large-scale distribution of the warm, ionized medium, as well as the pressure in diffuse clouds. 15 references

  10. The fundamentals of atomic and molecular physics

    CERN Document Server

    Brooks, Robert L

    2013-01-01

    The Fundamentals of Atomic and Molecular Physics is intended as an introduction to the field for advanced undergraduates who have taken quantum mechanics. Each chapter builds upon the previous, using the same tools and methods throughout. As the students progress through the book, their ability to use these tools will steadily increase, along with their confidence in their efficacy. The book treats the two-electron atom as the simplest example of the many-electron atom—as opposed to using techniques that are not applicable to many-electron atoms—so that it is unnecessary to develop additional equations when turning to multielectron atoms, such as carbon. External fields are treated using both perturbation theory and direct diagonalization and spontaneous emission is developed from first principles. Only diatomic molecules are considered with the hydrogen molecular ion and neutral molecule treated in some detail. This comprehensive coverage of the quantum mechanics of complex atoms and simple diatomic mole...

  11. Modulation of alpha oscillations is required for the suppression of semantic interference.

    Science.gov (United States)

    Melnik, Natalia; Mapelli, Igor; Özkurt, Tolga Esat

    2017-10-01

    Recent findings on alpha band oscillations suggest their important role in memory consolidation and suppression of external distractors such as environmental noise. However, less attention was given to the phenomenon of internal distracting information being solely inherent to the stimuli content. Human memory may be prone to internal distractions caused by semantic relatedness between the meaning of words (e.g., atom, neutron, nucleus, etc.) to be encoded, i.e., semantic interference. Our study investigates the brain oscillatory dynamics behind the semantic interference phenomenon, whose possible outcome is known as false memories. In this direction, Deese-Roediger-McDermott word lists were appropriated for a modified Sternberg paradigm in auditory modality. Participants received semantically related and unrelated word lists via headphones while EEG data were acquired. Semantic interference triggered the false memory rates to be higher than those of other types of memory errors. Analysis demonstrated that the upper part of alpha band (∼10-12Hz) power decreases on parieto-occipital channels in the retention interval, prior to the probe item for semantically related condition. Our study elucidates the oscillatory mechanisms behind semantic interference by relying on alpha functional inhibition theory. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. A study of point defects created by electron irradiation of dilute iron-carbon alloys; Etude des defauts crees par irradiation electronique dans les alliages de fer carbone dilues

    Energy Technology Data Exchange (ETDEWEB)

    Leveque, J L [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1969-10-01

    Resistivity and magnetic after effect (m.a.e.) measurements are used to study the influence of carbon atoms on the annealing process of point defects created by electron irradiation (3 MeV) at low temperature (20 deg. K). The presence of the carbon atoms has a strong influence on the recovery sub-stage I{sub E} and stage III. For the former, the carbon impurity traps the freely migrating iron interstitial. For the latter the effect is interpreted as being due to formation during annealing, of a carbon vacancy pair. A pronounced m.a.e. band is attributed to the reorientation of this carbon vacancy complex. All these results are coherent with the interpretation of a low temperature migrating free interstitial. (author) [French] L'influence des atomes de carbone sur le recuit des defauts ponctuels crees par irradiation electronique (3 MeV) a basse temperature (20 deg. K) dans le fer est mise en evidence par des mesures de resistivite electrique, et de trainage magnetique. Cette influence se manifeste principalement au cours du sous stade I{sub E} et du stade III de resistivite. Au sous stade I{sub E} les atomes de carbone piegeraient les interstitiels libres de fer au cours de leur migration. Le stade III est interprete comme etant du a la recombinaison du carbone dans les lacunes. Une importante bande de tramage magnetique etant attribuee a la reorientation de ce complexe. Ces resultats sont coherents avec l'interpretation faisant migrer a basse temperature l'interstitiel libre. (auteur)

  13. Bond formation in hafnium atom implantation into SiC induced by high-energy electron irradiation

    International Nuclear Information System (INIS)

    Yasuda, H.; Mori, H.; Sakata, T.; Naka, M.; Fujita, H.

    1992-01-01

    Bilayer films of Hf (target atoms)/α-SiC (substrate) were irradiated with 2 MeV electrons in an ultra-high voltage electron microscope (UHVEM), with the electron beam incident on the hafnium layer. As a result of the irradiation, hafnium atoms were implanted into the SiC substrate. Changes in the microstructure and valence electronic states associated with the implantation were studied by a combination of UHVEM and Auger valence electron spectroscopy. The implantation process is summarized as follows. (1) Irradiation with 2 MeV electrons first induces a crystalline-to-amorphous transition in α-SiC. (2) Hafnium atoms which have been knocked-off from the hafnium layer by collision with the 2 MeV electrons are implanted into the resultant amorphous SiC. (3) The implanted hafnium atoms make preferential bonding to carbon atoms. (4) With continued irradiation, the hafnium atoms repeat the displacement along the beam direction and the subsequent bonding with the dangling hybrids of carbon and silicon. The repetition of the displacement and subsequent bonding lead to the deep implantation of hafnium atoms into the SiC substrate. It is concluded that implantation successfully occurs when the bond strength between a constituent atom of a substrate and an injected atom is stronger than that between constituent atoms of a substrate. (Author)

  14. Precise atomic-scale investigations of material sputtering process by light gas ions in pre-threshold energy region

    CERN Document Server

    Suvorov, A L

    2002-01-01

    Foundation and prospects of the new original technique of the sputtering yield determination of electro-conducting materials and sub-atomic layers on their surface by light gas ions the pre-threshold energy region (from 10 to 500 eV) are considered. The technique allows to identify individual surface vacancies, i.e., to count individual sputtered atoms directly. A short review of the original results obtained by using the developed techniques is given. Data are presented and analyzed concerning energy thresholds of the sputtering onset and energy dependences of sputtering yield in the threshold energy region for beryllium, tungsten, tungsten oxide, alternating tungsten-carbon layers, three carbon materials as well as for sub-atomic carbon layers on surface of certain metals at their bombardment by hydrogen, deuterium and/or helium ions

  15. The influence of atomic alignment on absorption and emission spectroscopy

    Science.gov (United States)

    Zhang, Heshou; Yan, Huirong; Richter, Philipp

    2018-06-01

    Spectroscopic observations play essential roles in astrophysics. They are crucial for determining physical parameters in the universe, providing information about the chemistry of various astronomical environments. The proper execution of the spectroscopic analysis requires accounting for all the physical effects that are compatible to the signal-to-noise ratio. We find in this paper the influence on spectroscopy from the atomic/ground state alignment owing to anisotropic radiation and modulated by interstellar magnetic field, has significant impact on the study of interstellar gas. In different observational scenarios, we comprehensively demonstrate how atomic alignment influences the spectral analysis and provide the expressions for correcting the effect. The variations are even more pronounced for multiplets and line ratios. We show the variation of the deduced physical parameters caused by the atomic alignment effect, including alpha-to-iron ratio ([X/Fe]) and ionisation fraction. Synthetic observations are performed to illustrate the visibility of such effect with current facilities. A study of PDRs in ρ Ophiuchi cloud is presented to demonstrate how to account for atomic alignment in practice. Our work has shown that due to its potential impact, atomic alignment has to be included in an accurate spectroscopic analysis of the interstellar gas with current observational capability.

  16. Analysis of cadmium in high alpha solutions

    International Nuclear Information System (INIS)

    Gray, L.W.; Overman, L.A.; Hodgens, H.F.

    1977-07-01

    Cadmium nitrate is occasionally used as a neutron poison for convenience in the separation of uranium, neptunium, and plutonium. As the classical methods of analysis for cadmium are very time-consuming, a method to isolate it in solution using solvent extraction of uranium, neptunium, and plutonium with TBP in an n-paraffin hydrocarbon was investigated. After removal of the radionuclides, the cadmium is determined by atomic absorption spectroscopy. Precision of the method at the 95 percent confidence level is +-2.4 percent. Alpha content of the solutions was typically reduced from 1-10 x 10 11 dis/(min ml) 238 Pu to 1-15 x 10 4 dis/(min ml). Analysis time was typically reduced from approximately 24 hours per sample to less than 1 hour

  17. Influence of Different Defects in Vertically Aligned Carbon Nanotubes on TiO2 Nanoparticle Formation through Atomic Layer Deposition.

    Science.gov (United States)

    Acauan, Luiz; Dias, Anna C; Pereira, Marcelo B; Horowitz, Flavio; Bergmann, Carlos P

    2016-06-29

    The chemical inertness of carbon nanotubes (CNT) requires some degree of "defect engineering" for controlled deposition of metal oxides through atomic layer deposition (ALD). The type, quantity, and distribution of such defects rules the deposition rate and defines the growth behavior. In this work, we employed ALD to grow titanium oxide (TiO2) on vertically aligned carbon nanotubes (VACNT). The effects of nitrogen doping and oxygen plasma pretreatment of the CNT on the morphology and total amount of TiO2 were systematically studied using transmission electron microscopy, Raman spectroscopy, and thermogravimetric analysis. The induced chemical changes for each functionalization route were identified by X-ray photoelectron and Raman spectroscopies. The TiO2 mass fraction deposited with the same number of cycles for the pristine CNT, nitrogen-doped CNT, and plasma-treated CNT were 8, 47, and 80%, respectively. We demonstrate that TiO2 nucleation is dependent mainly on surface incorporation of heteroatoms and their distribution rather than structural defects that govern the growth behavior. Therefore, selecting the best way to functionalize CNT will allow us to tailor TiO2 distribution and hence fabricate complex heterostructures.

  18. Study on treatment of wastewater containing plutonium in CIAE (China Institute of Atomic Energy)

    International Nuclear Information System (INIS)

    Zeng Jishu; Su Xiguang; Xia Deying; Zhou Hongping

    1993-09-01

    The wastewater containing plutonium in China Institute of Atomic Energy (CIAE) is a kind of specific decontamination liquid waste containing 239,240 Pu, 241 Am etc, its alpha-radioactivity is about 1 x 10 5 Bq/L. It is not suitable for treatment in Low-Level Radwaste Treatment Plant (LLRTP) due to its high alpha-radioactivity level and has been stored for 17 years. In view of safe management of radioactive waste, a conceptual treatment process for this liquid waste is presented. and the methods in the process are demonstrated. The results obtained show that any method of chemical coagulation precipitation, adsorption by P301 absorbent and ion exchange by macro porous cation exchange resin (D001-CC) can drop the alpha-radioactivity level below 3.7 x 10 3 Bq/L which could meet the acceptable requirements of LLRTP

  19. A microscope for mapping-out in the atomic region

    International Nuclear Information System (INIS)

    1985-01-01

    The lastest development of the tunnel microscope is described, which enables the structure of individual atoms on various surfaces (gold, silicon, graphite) to be made visible in the sense of a topological profile of the surface. The technical features and operation of the microscope are described in detail. The use of 3 piezo-electric elements for vertical and horizontal positioning of the sensor tip gives an accuracy sufficient to exhibit the electron cloud forming the outer boundary of each atom. Images of gold, silicon, oxygen and carbon atoms have been produced and show structures previously unknown. Revolutionary spin-offs can be expected in various disciplines. (L.M.W.)

  20. Crystalline anhydrous {alpha},{alpha}-trehalose (polymorph {beta}) and crystalline dihydrate {alpha},{alpha}-trehalose: A calorimetric study

    Energy Technology Data Exchange (ETDEWEB)

    Pinto, Susana S. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: susanapinto@ist.utl.pt; Diogo, Herminio P. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: hdiogo@ist.utl.pt; Moura-Ramos, Joaquim J. [Centro de Quimica-Fisica Molecular, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: mouraramos@ist.utl.pt

    2006-09-15

    The mean values of the standard massic energy of combustion of crystalline anhydrous {alpha},{alpha}-trehalose (C{sub 12}H{sub 22}O{sub 11}, polymorph {beta}) and crystalline dihydrate {alpha},{alpha}-trehalose (C{sub 12}H{sub 26}O{sub 13}) measured by static-bomb combustion calorimetry in oxygen, at the temperature T=298.15K, are {delta}{sub c}u{sup o}=-(16434.05+/-4.50)J.g{sup -1} and {delta}{sub c}u{sup o}=-(14816.05+/-3.52)J.g{sup -1}, respectively. The standard (p{sup o}=0.1MPa) molar enthalpy of formation of these compounds were derived from the corresponding standard molar enthalpies of combustion, respectively, {delta}{sub f}H{sub m}{sup o} (C{sub 12}H{sub 22}O{sub 11},cr)=-(2240.9+/-3.9)kJ.mol{sup -1}, and {delta}{sub f}H{sub m}{sup o} (C{sub 12}H{sub 26}O{sub 13},cr)=-(2832.6+/-3.6)kJ.mol{sup -1}. The values of the standard enthalpies of formation obtained in this work, together with data on enthalpies of solution at infinite dilution ({delta}{sub sol}H{sup {approx}}) for crystalline dihydrate and amorphous anhydrous trehalose, allow a better insight on the thermodynamic description of the trehalose system which can provide, together with the future research on the subject, a contribution for understanding the metabolism in several organisms, as well as the phase transition between the different polymorphs.

  1. Energy dependence of event shapes and of $\\alpha_s$ at LEP 2

    CERN Document Server

    Abreu, P; Adye, T; Adzic, P; Albrecht, Z; Alderweireld, T; Alekseev, G D; Alemany, R; Allmendinger, T; Allport, P P; Almehed, S; Amaldi, Ugo; Amapane, N; Amato, S; Anassontzis, E G; Andersson, P; Andreazza, A; Andringa, S; Antilogus, P; Apel, W D; Arnoud, Y; Åsman, B; Augustin, J E; Augustinus, A; Baillon, Paul; Bambade, P; Barão, F; Barbiellini, Guido; Barbier, R; Bardin, Dimitri Yuri; Barker, G; Baroncelli, A; Battaglia, Marco; Baubillier, M; Becks, K H; Begalli, M; Behrmann, A; Beillière, P; Belokopytov, Yu A; Belous, K S; Benekos, N C; Benvenuti, Alberto C; Bérat, C; Berggren, M; Bertini, D; Bertrand, D; Besançon, M; Bianchi, F; Bigi, M; Bilenky, S M; Bizouard, M A; Bloch, D; Blom, H M; Bonesini, M; Bonivento, W; Boonekamp, M; Booth, P S L; Borgland, A W; Borisov, G; Bosio, C; Botner, O; Boudinov, E; Bouquet, B; Bourdarios, C; Bowcock, T J V; Boyko, I; Bozovic, I; Bozzo, M; Branchini, P; Brenke, T; Brenner, R A; Brückman, P; Brunet, J M; Bugge, L; Buran, T; Burgsmüller, T; Buschbeck, Brigitte; Buschmann, P; Cabrera, S; Caccia, M; Calvi, M; Camporesi, T; Canale, V; Carena, F; Carroll, L; Caso, Carlo; Castillo-Gimenez, M V; Cattai, A; Cavallo, F R; Chabaud, V; Chapkin, M M; Charpentier, P; Chaussard, L; Checchia, P; Chelkov, G A; Chierici, R; Chliapnikov, P V; Chochula, P; Chorowicz, V; Chudoba, J; Cieslik, K; Collins, P; Contri, R; Cortina, E; Cosme, G; Cossutti, F; Cowell, J H; Crawley, H B; Crennell, D J; Crépé, S; Crosetti, G; Cuevas-Maestro, J; Czellar, S; Davenport, Martyn; Da Silva, W; Deghorain, A; Della Ricca, G; Delpierre, P A; Demaria, N; De Angelis, A; de Boer, Wim; De Clercq, C; De Lotto, B; De Min, A; De Paula, L S; Dijkstra, H; Di Ciaccio, Lucia; Dolbeau, J; Doroba, K; Dracos, M; Drees, J; Dris, M; Duperrin, A; Durand, J D; Eigen, G; Ekelöf, T J C; Ekspong, Gösta; Ellert, M; Elsing, M; Engel, J P; Erzen, B; Espirito-Santo, M C; Falk, E; Fanourakis, G K; Fassouliotis, D; Fayot, J; Feindt, Michael; Fenyuk, A; Ferrari, P; Ferrer, A; Ferrer-Ribas, E; Ferro, F; Fichet, S; Firestone, A; Flagmeyer, U; Föth, H; Fokitis, E; Fontanelli, F; Franek, B J; Frodesen, A G; Frühwirth, R; Fulda-Quenzer, F; Fuster, J A; Galloni, A; Gamba, D; Gamblin, S; Gandelman, M; García, C; Gaspar, C; Gaspar, M; Gasparini, U; Gavillet, P; Gazis, E N; Gelé, D; Ghodbane, N; Gil, I; Glege, F; Gokieli, R; Golob, B; Gómez-Ceballos, G; Gonçalves, P; González-Caballero, I; Gopal, Gian P; Gorn, L; Górski, M; Guz, Yu; Gracco, Valerio; Grahl, J; Graziani, E; Green, C; Grimm, H J; Gris, P; Grosdidier, G; Grzelak, K; Günther, M; Guy, J; Hahn, F; Hahn, S; Haider, S; Hallgren, A; Hamacher, K; Hansen, J; Harris, F J; Hedberg, V; Heising, S; Hernández, J J; Herquet, P; Herr, H; Hessing, T L; Heuser, J M; Higón, E; Holmgren, S O; Holt, P J; Hoorelbeke, S; Houlden, M A; Hrubec, Josef; Huet, K; Hughes, G J; Hultqvist, K; Jackson, J N; Jacobsson, R; Jalocha, P; Janik, R; Jarlskog, C; Jarlskog, G; Jarry, P; Jean-Marie, B; Johansson, E K; Jönsson, P E; Joram, C; Juillot, P; Kapusta, F; Karafasoulis, K; Katsanevas, S; Katsoufis, E C; Keränen, R; Kersevan, Borut P; Khomenko, B A; Khovanskii, N N; Kiiskinen, A P; King, B J; Kinvig, A; Kjaer, N J; Klapp, O; Klein, H; Kluit, P M; Kokkinias, P; Koratzinos, M; Kostyukhin, V; Kourkoumelis, C; Kuznetsov, O; Krammer, Manfred; Kriznic, E; Krstic, J; Krumshtein, Z; Kubinec, P; Kurowska, J; Kurvinen, K L; Lamsa, J; Lane, D W; Langefeld, P; Lapin, V; Laugier, J P; Lauhakangas, R; Leder, Gerhard; Ledroit, F; Lefébure, V; Leinonen, L; Leisos, A; Leitner, R; Lemonne, J; Lenzen, Georg; Lepeltier, V; Lesiak, T; Lethuillier, M; Libby, J; Liko, D; Lipniacka, A; Lippi, I; Lörstad, B; Loken, J G; Lopes, J H; López, J M; López-Fernandez, R; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J N; Mahon, J R; Maio, A; Malek, A; Malmgren, T G M; Maltezos, S; Malychev, V; Mandl, F; Marco, J; Marco, R P; Maréchal, B; Margoni, M; Marin, J C; Mariotti, C; Markou, A; Martínez-Rivero, C; Martínez-Vidal, F; Martí i García, S; Mastroyiannopoulos, N; Matorras, F; Matteuzzi, C; Matthiae, Giorgio; Masik, J; Mazzucato, F; Mazzucato, M; McCubbin, M L; McKay, R; McNulty, R; McPherson, G; Meroni, C; Meyer, W T; Migliore, E; Mirabito, L; Mitaroff, Winfried A; Mjörnmark, U; Moa, T; Moch, M; Møller, R; Mönig, K; Monge, M R; Moreau, X; Morettini, P; Morton, G A; Müller, U; Münich, K; Mulders, M; Mulet-Marquis, C; Muresan, R; Murray, W J; Muryn, B; Myatt, Gerald; Myklebust, T; Naraghi, F; Nassiakou, M; Navarria, Francesco Luigi; Navas, S; Nawrocki, K; Negri, P; Némécek, S; Neufeld, N; Neumeister, N; Nicolaidou, R; Nielsen, B S; Nikolenko, M; Nomokonov, V P; Normand, Ainsley; Nygren, A; Obraztsov, V F; Olshevskii, A G; Onofre, A; Orava, Risto; Orazi, G; Österberg, K; Ouraou, A; Paganoni, M; Paiano, S; Pain, R; Paiva, R; Palacios, J; Palka, H; Papadopoulou, T D; Papageorgiou, K; Pape, L; Parkes, C; Parodi, F; Parzefall, U; Passeri, A; Passon, O; Pegoraro, M; Peralta, L; Pernicka, Manfred; Perrotta, A; Petridou, C; Petrolini, A; Phillips, H T; Pierre, F; Pimenta, M; Piotto, E; Podobnik, T; Pol, M E; Polok, G; Poropat, P; Pozdnyakov, V; Privitera, P; Pukhaeva, N; Pullia, Antonio; Radojicic, D; Ragazzi, S; Rahmani, H; Ratoff, P N; Read, A L; Rebecchi, P; Redaelli, N G; Regler, Meinhard; Reid, D; Reinhardt, R; Renton, P B; Resvanis, L K; Richard, F; Rídky, J; Rinaudo, G; Røhne, O M; Romero, A; Ronchese, P; Rosenberg, E I; Rosinsky, P; Roudeau, Patrick; Rovelli, T; Royon, C; Ruhlmann-Kleider, V; Ruiz, A; Saarikko, H; Sacquin, Yu; Sadovskii, A; Sajot, G; Salt, J; Sampsonidis, D; Sannino, M; Schneider, H; Schwemling, P; Schwering, B; Schwickerath, U; Schyns, M A E; Scuri, F; Seager, P; Sedykh, Yu; Segar, A M; Sekulin, R L; Shellard, R C; Sheridan, A; Siebel, M; Simard, L C; Simonetto, F; Sissakian, A N; Smadja, G; Smirnov, N; Smirnova, O G; Smith, G R; Sopczak, André; Sosnowski, R; Spassoff, Tz; Spiriti, E; Sponholz, P; Squarcia, S; Stanescu, C; Stanic, S; Stevenson, K; Stocchi, A; Strub, R; Stugu, B; Szczekowski, M; Szeptycka, M; Tabarelli de Fatis, T; Tegenfeldt, F; Terranova, F; Thomas, J; Timmermans, J; Tinti, N; Tkatchev, L G; Todorova-Nová, S; Tomaradze, A G; Tomé, B; Tonazzo, A; Tortora, L; Tranströmer, G; Treille, D; Tristram, G; Trochimczuk, M; Troncon, C; Tsirou, A L; Turluer, M L; Tyapkin, I A; Tzamarias, S; Ullaland, O; Uvarov, V; Valenti, G; Vallazza, E; Van der Velde, C; van Apeldoorn, G W; van Dam, P; Van Doninck, W K; Van Eldik, J; Van Lysebetten, A; Van Vulpen, I B; Vassilopoulos, N; Vegni, G; Ventura, L; Venus, W A; Verbeure, F; Verlato, M; Vertogradov, L S; Verzi, V; Vilanova, D; Vitale, L; Vlasov, E; Vodopyanov, A S; Vollmer, C F; Voulgaris, G; Vrba, V; Wahlen, H; Walck, C; Weiser, C; Wicke, D; Wickens, J H; Wilkinson, G R; Winter, M; Witek, M; Wolf, G; Yi, J; Yushchenko, O P; Zaitsev, A; Zalewska-Bak, A; Zalewski, Piotr; Zavrtanik, D; Zevgolatakos, E; Zimin, N I; Zucchelli, G C; Zumerle, G

    1999-01-01

    Infrared and collinear safe event shape distributions and their mean values are determined using the data taken at ve di erent centre of mass energies above $M_Z$ with the DELPHI detector at LEP. From the event shapes, the strong coupling $\\alpha_s$ is extracted in $O(\\alpha^2_s)$, NLLA and a combined scheme using hadronisation corrections evaluated with fragmentation model generators as well as using an analytical power ansatz. Comparing these measurements to those obtained at MZ, the energy dependence (running) of $\\alpha_s$ is accessible. The logarithmic energy slope of the inverse strong coupling is measured to be $d\\alpha_{s}^{-1}/d log(E_{cm}) = 1.39 \\pm 0.34(stat) \\pm 0.17(syst)$, in good agreement with the QCD expectation of 1.27.

  2. Understanding mercury binding on activated carbon

    Energy Technology Data Exchange (ETDEWEB)

    Padak, B.; Wilcox, J. [Stanford University, Stanford, CA (United States)

    2009-10-15

    Understanding the mechanism by which mercury adsorbs on activated carbon is crucial to the design and fabrication of effective capture technologies. In this study, the possible binding mechanism of mercury (Hg) and its species, i.e., HgCl and HgCl{sub 2} on activated carbon is investigated using ab initio-based energetic calculations. The activated carbon surface is modeled by a single graphene layer in which the edge atoms on the upper side are unsaturated in order to simulate the active sites. in some cases, chlorine atoms are placed at the edge sites to examine the effect of chlorine on the binding of Hg, HgCl and HgCl{sub 2}. It has been concluded that both HgCl and HgCl{sub 2} can be adsorbed dissociatively or non-dissociatively. In the case of dissociative adsorption, it is energetically favorable for atomic Hg to desorb and energetically favorable for it to remain on the surface in the Hg{sup 1+} state, HgCl. The Hg{sup 2+}, oxidized compound, HgCl2 was not found to be stable on the surface. The most probable mercury species on the surface was found to be HgCl.

  3. Element selective detection of molecular species applying chromatographic techniques and diode laser atomic absorption spectrometry.

    Science.gov (United States)

    Kunze, K; Zybin, A; Koch, J; Franzke, J; Miclea, M; Niemax, K

    2004-12-01

    Tunable diode laser atomic absorption spectroscopy (DLAAS) combined with separation techniques and atomization in plasmas and flames is presented as a powerful method for analysis of molecular species. The analytical figures of merit of the technique are demonstrated by the measurement of Cr(VI) and Mn compounds, as well as molecular species including halogen atoms, hydrogen, carbon and sulfur.

  4. Alpha Blockers

    Science.gov (United States)

    ... quickly, but their effects last only a few hours. Long-acting medications take longer to work, but their effects last longer. Which alpha blocker is best for you depends on your health and the condition being treated. Alpha blockers are ...

  5. Production of atomic negative ion beams of the Group IA elements

    International Nuclear Information System (INIS)

    Alton, G.D.; Mills, G.D.

    1988-01-01

    A method has been developed which enables the direct sputter generation of atomic negative ion beams of all members of the Group IA elements (Li, Na, K, Rb, and Cs). The method consists of the use of sputter samples formed by pressing mixtures of the carbonates of the Group IA elements and 10% (atomic) Cu, Ag, or other metal powder. The following intensities are typical of those observed from carbonate samples subjected to /approximately/3 KeV cesium ion bombardment: Li - : ≥0.5 μA; Na - : ≥0.5 μA; K - : ≥0.5 μA; Rb - : ≥0.5 μA; Cs - : ≥0.2 μA. 7 refs., 2 figs., 1 tab

  6. Multi-Directional Growth of Aligned Carbon Nanotubes Over Catalyst Film Prepared by Atomic Layer Deposition

    Directory of Open Access Journals (Sweden)

    Zhou Kai

    2010-01-01

    Full Text Available Abstract The structure of vertically aligned carbon nanotubes (CNTs severely depends on the properties of pre-prepared catalyst films. Aiming for the preparation of precisely controlled catalyst film, atomic layer deposition (ALD was employed to deposit uniform Fe2O3 film for the growth of CNT arrays on planar substrate surfaces as well as the curved ones. Iron acetylacetonate and ozone were introduced into the reactor alternately as precursors to realize the formation of catalyst films. By varying the deposition cycles, uniform and smooth Fe2O3 catalyst films with different thicknesses were obtained on Si/SiO2 substrate, which supported the growth of highly oriented few-walled CNT arrays. Utilizing the advantage of ALD process in coating non-planar surfaces, uniform catalyst films can also be successfully deposited onto quartz fibers. Aligned few-walled CNTs can be grafted on the quartz fibers, and they self-organized into a leaf-shaped structure due to the curved surface morphology. The growth of aligned CNTs on non-planar surfaces holds promise in constructing hierarchical CNT architectures in future.

  7. Stability of sp{sup 2}-carbon single layer nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, L N; Bursill, L A [University of Melbourne, Parkville, VIC (Australia). School of Physics

    1997-12-31

    Full text: Sp{sup 2}-hybridised carbon is quite versatile in its ability to build atomic structures. Although graphite is the most common and best known sp{sup 2}-carbon compound, recent discoveries of the C{sub 60} molecule and the related nanotubes have shown that networks of three-fold coordinated carbon atoms may result in a wide range of geometries. This has led to the postulation that structures such as the negatively curved schwarzites and tori may also be synthesized. In particular, theoretical calculations have shown the cohesive energy of schwarzites to be higher than that of C{sub 60}. Presented here is an analytical model describing the energetics of the most common sp{sup 2}-carbon single nanostructures as well as the hypothetical P-schwarzite. An expression for the energy with respect to a flat graphite sheet is written as the sum of a strain energy term (arising from curving of the carbon network) and a dangling bond energy term (not negligible in an inert environment). The relative stability of carbon spheres, tubes, planes and minimal surfaces is then investigated as a function of the dangling bond energy. In an inert atmosphere (large dangling bond energy), the cylinder appears to be the most stable geometry up to a certain size (about 40 atoms only). Above this number of atoms, the sphere is found to be energetically favoured. In a reactive environment, flat sheets are found to have the lowest energy, as expected. The other structures appeared to be always less stable than tubes, spheres and planes. However, small proportions of negatively curved sheets may occur at high temperatures. These results are compared with known experimental facts

  8. The 2.0-A resolution structure of soybean beta-amylase complexed with alpha-cyclodextrin.

    Science.gov (United States)

    Mikami, B; Hehre, E J; Sato, M; Katsube, Y; Hirose, M; Morita, Y; Sacchettini, J C

    1993-07-13

    New crystallographic findings are presented which offer a deeper understanding of the structure and functioning of beta-amylase, the first known exo-type starch-hydrolyzing enzyme. A refined three-dimensional structure of soybean beta-amylase, complexed with the inhibitor alpha-cyclodextrin, has been determined at 2.0-A resolution with a conventional R-value of 17.5%. The model contains 491 amino acid residues, 319 water molecules, 1 sulfate ion, and 1 alpha-cyclodextrin molecule. The protein consists of a core with an (alpha/beta)8 supersecondary structure, plus a smaller globular region formed by long loops (L3, L4, and L5) extending from beta-strands beta 3, beta 4, and beta 5. Between the two regions is a cleft that opens into a pocket whose floor contains the postulated catalytic center near the carboxyl group of Glu 186. The annular alpha-cyclodextrin binds in (and partly projects from) the cleft with its glucosyl O-2/O-3 face abutting the (alpha/beta)8 side and with its alpha-D(1 --> 4) glucosidic linkage progression running clockwise as viewed from that side. The ligand does not bind deeply enough to interact with the carboxyl group of Glu 186. Rather, it occupies most of the cleft entrance, strongly suggesting that alpha-cyclodextrin inhibits catalysis by blocking substrate access to the more deeply located reaction center. Of the various alpha-cyclodextrin interactions with protein residues in loops L4, L5, L6, and L7, most notable is the shallow inclusion complex formed with Leu 383 (in L7, on the core side of the cleft) through contacts of its methyl groups with the C-3 atoms of four of the ligand's D-glucopyranosyl residues. All six residues of the bound alpha-cyclodextrin are of 4C1 conformation and are joined by alpha-1,4 linkages with similar torsional angles to form a nearly symmetrical torus as reported for crystalline inclusion complexes with alpha-cyclodextrin. We envision a significant role for the methyl groups of Leu 383 at the cleft entrance

  9. Radiotracer experiments on lignin reactions, 2

    International Nuclear Information System (INIS)

    Terashima, Noritsugu; Araki, Hiroshi; Suganuma, Nobuo.

    1977-01-01

    The behavior of the specific carbon atoms of lignin during the cooking process was studied. Pine wood meal containing the protolignin labelled with 14-C was prepared, and treated under sulfate cooking conditions. The incorporation and distribution of radioactivity were traced in three fractions separated from the black liquor according to their solubilities and molecular weights. The gamma position carbon at the end of side chain of phenylpropane unit in lignin was eliminated easily from the high molecular weight portion in considerable extent during the cooking process, and a part of the eliminated carbon condenses again with the aromatic ring. However, a large portion of the eliminated gamma-carbon was found in the low molecular fraction of water soluble part of the black liquor. The radioactivity of alpha-carbons in the side chains adjacent to aromatic rings was found to be distributed in three fractions similarly to that of beta-carbons, except that the incorporation of radioactivity of alpha-carbons was slightly low in high molecular fraction, and slightly high in low molecular water soluble fraction as compared with that of beta-carbons and aromatic ring carbons. The number of residual carbon atoms per one monomer unit in high molecular kraft lignin was calculated from the specific incorporation ratio of radioactivity. The carbon skelton was estimated and the molecular formula was given by the elementary analysis and molecular weight determination. (Iwakiri, K.)

  10. Isobaric PVT Behavior of Poly(Carbonate) (PC)

    Science.gov (United States)

    Grassia, Luigi; D'Amore, Alberto

    2010-06-01

    The scaling law for relaxation times, τ(V,T) = ℑ(TVγ), recently proposed by Casalini and Roland, is utilized in the framework of KAHR (Kovacs Aklonis Hutchinson and Ramos) phenomenological theory. With this approach it is shown that the Pressure, Volume, Temperature (PVT) data obtained on Poly(carbonate)(PC) can be reliably predicted, in the region of the alpha relaxation, by using only two fitting parameters, namely: the relaxation time in the reference condition, τg, and the fractional exponent, β that describes the dispersion of the alpha relaxation.

  11. The predicted 10.6 keV transition in Fr-221 from the alpha-decay of Ac-225 revealed

    Czech Academy of Sciences Publication Activity Database

    Yakushev, E. A.; Chumin, V. G.; Gorozhankin, VM.; Gromov, KY.; Kovalík, Alojz; Filosofov, D. V.; Norseev, YV.; Yurkova, LV.

    2002-01-01

    Roč. 28, č. 3 (2002), s. 463-467 ISSN 0954-3899 R&D Projects: GA ČR GA202/02/0157 Institutional research plan: CEZ:AV0Z1048901 Keywords : electromagnetic transition * electron conversion * alpha-decay Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.399, year: 2002

  12. Atom-by-atom assembly

    International Nuclear Information System (INIS)

    Hla, Saw Wai

    2014-01-01

    Atomic manipulation using a scanning tunneling microscope (STM) tip enables the construction of quantum structures on an atom-by-atom basis, as well as the investigation of the electronic and dynamical properties of individual atoms on a one-atom-at-a-time basis. An STM is not only an instrument that is used to ‘see’ individual atoms by means of imaging, but is also a tool that is used to ‘touch’ and ‘take’ the atoms, or to ‘hear’ their movements. Therefore, the STM can be considered as the ‘eyes’, ‘hands’ and ‘ears’ of the scientists, connecting our macroscopic world to the exciting atomic world. In this article, various STM atom manipulation schemes and their example applications are described. The future directions of atomic level assembly on surfaces using scanning probe tips are also discussed. (review article)

  13. Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2˙ radical.

    Science.gov (United States)

    Parab, Prajakta Rajaram; Heufer, K Alexander; Fernandes, Ravi Xavier

    2018-04-25

    Isopentanol is a potential next-generation biofuel for future applications to Homogeneous Charge Compression Ignition (HCCI) engine concepts. To provide insights into the combustion behavior of isopentanol, especially to its auto-ignition behavior which is linked both to efficiency and pollutant formation in real combustion systems, detailed quantum chemical studies for crucial reactions are desired. H-Abstraction reaction rates from fuel molecules are key initiation steps for chain branching required for auto-ignition. In this study, rate constants are determined for the hydrogen atom abstraction reactions from isopentanol by the H atom and HO2˙ radical by implementing the CBS-QB3 composite method. For the treatment of the internal rotors, a Pitzer-Gwinn-like approximation is applied. On comparing the computed reaction energies, the highest exothermicity (ΔE = -46 kJ mol-1) is depicted for Hα abstraction by the H atom whereas the lowest endothermicity (ΔE = 29 kJ mol-1) is shown for the abstraction of Hα by the HO2˙ radical. The formation of hydrogen bonding is found to affect the kinetics of the H atom abstraction reactions by the HO2˙ radical. Further above 750 K, the calculated high pressure limit rate constants indicate that the total contribution from delta carbon sites (Cδ) is predominant for hydrogen atom abstraction by the H atom and HO2˙ radical.

  14. Uranium analysis in Cypriot groundwaters by total alpha-radiometry and alpha-spectroscopy

    International Nuclear Information System (INIS)

    Efstathiou, Maria; Kiliari, Tasoula; Pashalidis, Ioannis

    2011-01-01

    Two different alpha-radiometric methods (e.g. alpha-spectroscopy and alpha-particle counting) have been applied to the determination of uranium in Cypriot groundwater samples after separation of the radionuclides by cation exchange using Chelex-100 and its electrodeposition on stainless steel planchettes. The data obtained were compared to show the advantages and disadvantages of the two radiometric methods, determine the alpha-radioactivity concentration and the radiation dose associated with the use of the studied groundwaters. Calibration of the methods was performed by means of uranium standard solutions and the corresponding data were used to evaluate linear range, detector efficiency, detection limits, value of the information obtained, and time of analysis of the methods. Comparison of the data obtained from calibration and natural sample measurements has shown that alpha-particle counting with a simple alpha-radiometer (equipped with a semiconductor detector) may offer only an activity value and not detailed information about the isotopic composition but it is the fastest method and the method of choice if only a screening method for the alpha-radioactivity measurement is required. Based on the alpha-radioactivity data, the corresponding radiation dose was estimated for situations where the groundwaters are used for drinking water purposes.

  15. Fractionation of whey protein isolate with supercritical carbon dioxide – process modeling and cost estimation

    Science.gov (United States)

    An economical and environmentally friendly whey protein fractionation process was developed using supercritical carbon dioxide (sCO2) as an acid to produce enriched fractions of alpha-lactalbumin (alpha-La) and beta-lactoglobulin (beta-Lg) from a commercial whey protein isolate (WPI) containing 55% ...

  16. Energy, Carbon-emission and Financial Savings from Thermostat Control

    Energy Technology Data Exchange (ETDEWEB)

    Blasing, T J [ORNL; Schroeder, Dana [University of Georgia, Athens, GA

    2013-08-01

    Among the easiest approaches to energy, and cost, savings for most people is the adjustment of thermostats to save energy. Here we estimate savings of energy, carbon, and money in the United States of America (USA) that would result from adjusting thermostats in residential and commercial buildings by about half a degree Celsius downward during the heating season and upward during the cooling season. To obtain as small a unit as possible, and therefore the least likely to be noticeable by most people, we selected an adjustment of one degree Fahrenheit (0.56 degree Celsius) which is the gradation used almost exclusively on thermostats in the USA and is the smallest unit of temperature that has been used historically. Heating and/or cooling of interior building space for personal comfort is sometimes referred to as space conditioning, a term we will use for convenience throughout this work without consideration of humidity. Thermostat adjustment, as we use the term here, applies to thermostats that control the indoor temperature, and not to other thermostats such as those on water heaters. We track emissions of carbon only, rather than of carbon dioxide, because carbon atoms change atomic partners as they move through the carbon cycle, from atmosphere to biosphere or ocean and, on longer time scales, through the rock cycle. To convert a mass of carbon to an equivalent mass of carbon dioxide (thereby including the mass of the 2 oxygen atoms in each molecule) simply multiply by 3.67.

  17. The first investigation of Wilms' tumour atomic structure-nitrogen and carbon isotopic composition as a novel biomarker for the most individual approach in cancer disease

    Science.gov (United States)

    Taran, Katarzyna; Frączek, Tomasz; Sikora-Szubert, Anita; Sitkiewicz, Anna; Młynarski, Wojciech; Kobos, Józef; Paneth, Piotr

    2016-01-01

    The paper describes a novel approach to investigating Wilms' tumour (nephroblastoma) biology at the atomic level. Isotope Ratio Mass Spectrometry (IRMS) was used to directly assess the isotope ratios of nitrogen and carbon in 84 Wilms' tumour tissue samples from 28 cases representing the histological spectrum of nephroblastoma. Marked differences in nitrogen and carbon isotope ratios were found between nephroblastoma histological types and along the course of cancer disease, with a breakout in isotope ratio of the examined elements in tumour tissue found between stages 2 and 3. Different isotopic compositions with regard to nitrogen and carbon content were observed in blastemal Wilms' tumour, with and without focal anaplasia, and in poorly- and well-differentiated epithelial nephroblastoma. This first assessment of nitrogen and carbon isotope ratio reveals the previously unknown part of Wilms' tumour biology and represents a potential novel biomarker, allowing for a highly individual approach to treating cancer. Furthermore, this method of estimating isotopic composition appears to be the most sensitive tool yet for cancer tissue evaluation, and a valuable complement to established cancer study methods with prospective clinical impact. PMID:27732932

  18. A Carbon Nanotube Cable for a Space Elevator

    Science.gov (United States)

    Bochnícek, Zdenek

    2013-01-01

    In this paper the mechanical properties of carbon nanotubes are discussed in connection with the possibility to use them for the construction of a space elevator. From the fundamental information about the structure of a carbon nanotube and the chemical bond between carbon atoms, Young's modulus and the ultimate tensile strength are…

  19. Physiological characterisation of recombinant Aspergillus nidulans strains with different creA genotypes expressing A-oryzae alpha-amylase

    DEFF Research Database (Denmark)

    Agger, Teit; Petersen, J.B.; O'Connor, S.M.

    2002-01-01

    The physiology of three strains of Aspergillus nidulans was examined-a creA deletion strain, a wild type creA genotype and a strain containing extra copies of the creA gene, all producing Aspergillus oryzae alpha-amylase. The strains were cultured in batch and continuous cultivations and the biom......The physiology of three strains of Aspergillus nidulans was examined-a creA deletion strain, a wild type creA genotype and a strain containing extra copies of the creA gene, all producing Aspergillus oryzae alpha-amylase. The strains were cultured in batch and continuous cultivations...... and the biomass formation and alpha-amylase production was characterised. Overexpression of the creA gene resulted in a lower maximum specific growth rate and a slightly higher repression of the alpha-amylase production during conditions with high glucose concentration. No expression of creA also resulted...... in a decreased maximum specific growth rate, but also in drastic changes in morphology. Furthermore, the expression of alpha-amylase was completely derepressed and creA thus seems to be the only regulatory protein responsible for glucose repression of alpha-amylase expression. The effect of different carbon...

  20. Resonance analysis of the {sup 12}C,{sup 13}C({alpha},n) reactions and evaluation of neutron yield data of the reaction

    Energy Technology Data Exchange (ETDEWEB)

    Murata, Toru [AITEL Corp., Tokyo (Japan)

    1998-03-01

    The {sup 12}C({alpha},n){sup 15}O reaction and the {sup 13}C({alpha},n){sup 16}O reaction were analyzed with a resonance formula in the incident {alpha}-particle energy range of 1.0 to 16.0 MeV. With the obtained resonance parameters, branching ratios of the emitted neutrons to the several levels of the residual nucleus and their angular distributions were calculated to obtain the energy spectrum of emitted neutrons. Thick target neutron yield of carbon were also calculated and compared with the experimental data. (author)