Thermoelectric performance of tellurium-reduced quaternary p-type lead–chalcogenide composites

International Nuclear Information System (INIS)

Aminorroaya Yamini, Sima; Wang, Heng; Gibbs, Zachary M.; Pei, Yanzhong; Mitchell, David R.G.; Dou, Shi Xue; Snyder, G. Jeffrey

2014-01-01

Graphical abstract: - Abstract: A long-standing technological challenge to the widespread application of thermoelectric generators is obtaining high-performance thermoelectric materials from abundant elements. Intensive study on PbTe alloys has resulted in a high figure of merit for the single-phase ternary PbTe–PbSe system through band structure engineering, and the low thermal conductivity achieved due to nanostructuring leads to high thermoelectric performance for ternary PbTe–PbS compounds. Recently, the single-phase p-type quaternary PbTe–PbSe–PbS alloys have been shown to provide thermoelectric performance superior to the binary and ternary lead chalcogenides. This occurs via tuning of the band structure and from an extraordinary low thermal conductivity resulting from high-contrast atomic mass solute atoms. Here, we present the thermoelectric efficiency of nanostructured p-type quaternary PbTe–PbSe–PbS composites and compare the results with corresponding single-phase quaternary lead chalcogenide alloys. We demonstrate that the very low lattice thermal conductivity achieved is attributed to phonon scattering at high-contrast atomic mass solute atoms rather than from the contribution of secondary phases. This results in a thermoelectric efficiency of ∼1.4 over a wide temperature range (650–850 K) in a p-type quaternary (PbTe) 0.65 (PbSe) 0.1 (PbS) 0.25 composite that is lower than that of single-phase (PbTe) 0.85 (PbSe) 0.1 (PbS) 0.05 alloy without secondary phases

Significance of relic carbonate deposits along the central and southwestern margin of India for late Quaternary environmental and sea level changes

Digital Repository Service at National Institute of Oceanography (India)

Rao, V.P.; Montaggioni, L.; Vora, K.H.; Almeida, F.; Rao, K.M.; Rajagopalan, G.

Environmental and sea level indicators were investigated using dredge samples from late Quaternary carbonate deposits along the shelf break between Goa and Cape Comorin, India. Geomorphic features in the area were identified from sonar profiles...

Taming Radical Pairs in Nanocrystalline Ketones: Photochemical Syn-thesis of Compounds with Vicinal Stereogenic All-Carbon Quaternary Centers.

Science.gov (United States)

Dotson, Jordan J; Perez-Estrada, Salvador; Garcia-Garibay, Miguel A

2018-05-29

Here we describe the use of crystalline ketones to control the fate of the radical pair intermediates generated in the Norrish type I photodecarbonylation reaction to render it a powerful tool in the challenging synthesis of sterically congested carbon-carbon bonds. This methodology makes the synthetically more accessible hexasusbtituted ketones as ideal synthons for the construction of adjacent, all-carbon substituted, stereogenic quaternary stereocenters. We describe here the structural and thermochemical parameters required of the starting ketone in order to react in the solid state. Finally, the scope and scalability of the reaction and its application in the total synthesis of two natural products is described.

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

Science.gov (United States)

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

2015-07-07

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

Carbon nanotori as traps for atoms and ions

International Nuclear Information System (INIS)

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

2012-01-01

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

Reactions of carbon atoms in pulsed molecular beams

Energy Technology Data Exchange (ETDEWEB)

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

1993-12-01

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

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.

TL studies of quaternary biogenic carbonate deposits of Saurashtra, Western India

International Nuclear Information System (INIS)

Patel, M.P.; Bhatt, Nilesh; Murthy, K.V.R.

1992-01-01

The quaternary biogenic carbonate deposits of Saurashtra, coastal as well as inland, comprise the beach rocks, miliolites and the stabilised sand dunes. The beach rocks contain the varieties of megafossils and broken shell fragments while the miliolites are granular made up of medium to fine grained, well sorted, abraded to finely abraded and even pelletised microfossils and shell fragments. The various constituents of the beach rocks and miliolites are cemented together by a fine calcite cement. The carbonate sand dunes contain relatively less amount of biogenic material and are rich in quartz. Age wise, the well consolidated beach rocks and miliolites are older (middle to later upper pleistocene) as compared to poorly consolidated coastal stabilised younger sand dunes (holocene). Chemically the former are rich in CaCO 3 while the latter are rich in SiO 2 . TL studies of the representative samples of beach rocks, miliolites and sand dunes clearly suggest that the glow curves of beach rocks and miliolites differ from that of sand dunes. Again, the existence of close similarity between the ATL/NTL curves for beach rocks and miliolites substantiate their close affinity in the field. (author). 14 refs., 2 tabs., 2 figs

Growth and Destruction of PAH Molecules in Reactions with Carbon Atoms

Energy Technology Data Exchange (ETDEWEB)

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

2017-02-10

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

Detection of gas atoms with carbon nanotubes

Science.gov (United States)

Arash, B.; Wang, Q.

2013-01-01

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

Stereoselective synthesis of organosulfur compounds incorporating N-aromatic heterocyclic motifs and quaternary carbon centers via a sulfa-Michael triggered tandem reaction.

Science.gov (United States)

Qin, Tianyou; Cheng, Lu; Zhang, Sean Xiao-An; Liao, Weiwei

2015-06-14

A novel sulfa-Michael addition (SMA)-triggered tandem reaction was developed by combining a SMA reaction with a simultaneous rearomatization process utilizing a less reactive carbonyl group as an intramolecular electrophile partner, which provided a unique synthetic route to access various organosulfur compounds incorporating an N-aromatic heterocyclic motif and quaternary carbon centers.

A QuaternaryPoly(ethylene carbonate)-Lithium Bis(trifluoromethanesulfonyl)imide-Ionic Liquid-Silica Fiber Composite Polymer Electrolyte for Lithium Batteries

International Nuclear Information System (INIS)

Kimura, Kento; Matsumoto, Hidetoshi; Hassoun, Jusef; Panero, Stefania; Scrosati, Bruno; Tominaga, Yoichi

2015-01-01

Highlights: • A quaternary PEC-LiTFSI-Pyr 14 TFSI-Silica fiber electrolyte was prepared by a solvent casting method. • Both electrochemical and mechanical properties were improved by the presence of the Silica fiber. • The electrolyte showed a t Li+ value of 0.36 with an anodic stability extended up to 4.5 V vs. Li/Li + . • A prototype Li/LiFePO 4 polymer cell delivered a discharge capacity of about 100 mAh g −1 (75 °C, C/15). - Abstract: Poly(ethylene carbonate) (PEC) is known as an alternating copolymer derived from carbon dioxide (CO 2 ) and an epoxide as monomers. Here, we describe a new quaternary PEC-based composite electrolyte containing lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt, N-n-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl) imide (Pyr 14 TFSI) ionic liquid, and an electrospun silica (SiO 2 ) fiber (SiF) with a submicron diameter in view of its possible applications in solid-state Li polymer batteries. A free-standing electrolyte membrane is prepared by a solvent casting method. The Pyr 14 TFSI ionic liquid enhances the ionic conductivity of the electrolyte as a result of its plasticizing effect. The electrochemical properties, such as ionic conductivity and Li transference number (t Li+ ), as well as mechanical strength of the electrolyte, are further improved by the SiF. We show that the quaternary electrolyte has a conductivity of the order of 10 −7 S cm −1 at ambient temperature and a high t Li+ value of 0.36 with an excellent flexibility. A prototype Li polymer cell using LiFePO 4 as a cathode material is assembled and tested. We demonstrate that this battery delivers a reversible charge-discharge capacity close to 100 mAh g −1 at 75 °C and C/15 rate. We believe that this work may pave the road to utilize CO 2 as a carbon source for highly-demanded, functional battery materials in future

Pd(II)/Bipyridine-Catalyzed Conjugate Addition of Arylboronic Acids to α,β-Unsaturated Carboxylic Acids. Synthesis of β-Quaternary Carbons Substituted Carboxylic Acids.

Science.gov (United States)

Liu, Rui; Yang, Zhenyu; Ni, Yuxin; Song, Kaixuan; Shen, Kai; Lin, Shaohui; Pan, Qinmin

2017-08-04

Pd(II)/bipyridine-catalyzed conjugate addition of arylboronic acids to α,β-unsaturated carboxylic acids (including β,β-disubstituted acrylic acids) was developed and optimized, which provided a mild and convenient method for the highly challenging synthesis of β-quaternary carbons substituted carboxylic acids.

Thermally Reduced Graphene Oxide Electrochemically Activated by Bis-Spiro Quaternary Alkyl Ammonium for Capacitors.

Science.gov (United States)

He, Tieshi; Meng, Xiangling; Nie, Junping; Tong, Yujin; Cai, Kedi

2016-06-08

Thermally reduced graphene oxide (RGO) electrochemically activated by a quaternary alkyl ammonium-based organic electrolytes/activated carbon (AC) electrode asymmetric capacitor is proposed. The electrochemical activation process includes adsorption of anions into the pores of AC in the positive electrode and the interlayer intercalation of cations into RGO in the negative electrode under high potential (4.0 V). The EA process of RGO by quaternary alkyl ammonium was investigated by X-ray diffraction and electrochemical measurements, and the effects of cation size and structure were extensively evaluated. Intercalation by quaternary alkyl ammonium demonstrates a small degree of expansion of the whole crystal lattice (d002) and a large degree of expansion of the partial crystal lattice (d002) of RGO. RGO electrochemically activated by bis-spiro quaternary alkyl ammonium in propylene carbonate/AC asymmetric capacitor exhibits good activated efficiency, high specific capacity, and stable cyclability.

Palladium-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids to Five-, Six-, and Seven-Membered β-Substituted Cyclic Enones: Enantioselective Construction of All-Carbon Quaternary Stereocenters

KAUST Repository

Kikushima, Kotaro; Holder, Jeffrey C.; Gatti, Michele; Stoltz, Brian M.

2011-01-01

The first enantioselective Pd-catalyzed construction of all-carbon quaternary stereocenters via 1,4-addition of arylboronic acids to β-substituted cyclic enones is reported. Reaction of a wide range of arylboronic acids and cyclic enones using a

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)

Ion-pair hollow-fiber liquid-phase microextraction of the quaternary ammonium surfactant dicocodimethylammonium chloride.

Science.gov (United States)

Hultgren, Sofie; Larsson, Niklas; Nilsson, Bo F; Jönsson, Jan Ake

2009-02-01

A two-phase hollow-fiber (HF) liquid-phase microextraction (LPME) method was developed for determination of a quaternary ammonium compound surfactant, dicocodimethylammonium chloride, in aqueous samples. The porous HF was fixed on a metal rod support and was impregnated with approximately 6.6 microL of organic extractant, which was immobilized in the HF pores. Surfactant extraction was facilitated by addition of carboxylic acid to the sample forming neutral ion pairs with the quaternary ammonium compound. After extraction, the analyte was transferred from the organic extractant in the fiber pores by dissolving the 1-octanol into 100 microL methanol. The methanol extract was analyzed by liquid chromatography-mass spectrometry. The method was optimized (with optimized parameters in brackets) with regard to type of organic extractant (1-octanol), fiber length (2 cm), choice and concentration of anionic carrier (600 microg L(-1) octanoate), procedure of transfer to methanol (15-min sonication), sample volume (250 mL), extraction time (17 h), pH (10), and ionic strength (50 mM carbonate). Aspects influencing repeatability in LPME of (quaternary ammonium) surfactants are discussed. The enrichment factor achieved in 250-mL carbonate buffer was around 400. Due to matrix effects, the enrichment factors achieved when industrial process water was analyzed were 120 or about 30% of that in carbonate buffer. Detection limits of 0.3 microg L(-1) in carbonate buffer and 0.9 microg L(-1) in industrial process water were obtained. If the studied compound is seen as a model substance representing quaternary dialkylated dimethylated ammonium surfactants in general, the developed method may be applied to other quaternary ammonium surfactants.

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

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.

N-containing carbons from styrene-divinylbenzene copolymer by urea treatment

Energy Technology Data Exchange (ETDEWEB)

Zhuravsky, Sergey V.; Kartel, Mykola T.; Tarasenko, Yuriy O. [Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, 17 General Naumov Street, Kiev, 03164 (Ukraine); Villar-Rodil, Silvia [Instituto Nacional del Carbon, INCAR-CSIC, Apartado 73, 33080 Oviedo (Spain); Dobos, Gabor [Department of Atomic Physics, Budapest University of Technology and Economics, H-1521 Budapest (Hungary); Toth, Ajna [Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, H-1521 Budapest, PO Box 92 (Hungary); Tascon, Juan M.D. [Instituto Nacional del Carbon, INCAR-CSIC, Apartado 73, 33080 Oviedo (Spain); Laszlo, Krisztina, E-mail: klaszlo@mail.bme.hu [Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, H-1521 Budapest, PO Box 92 (Hungary)

2012-01-15

N-containing synthetic carbons with narrow porosity were prepared from a chlorinated styrene and divinylbenzene copolymer by a multistep method with a yield of 34 wt%. Surface chemical treatment and thermal carbonization of the starting copolymer was monitored by urea impregnation. Steam activation, oxidation and an additional heat treatment gave the final product. The synthesis route was designed in a cost-effective way. The porosity and the concentration of the introduced nitrogen atoms were determined at each step. The final product has a surface area of 1135 m{sup 2}/g. More than 70% of the pore volume comes from micropores with an average width of 0.7 nm. The 2.3 at.% surface nitrogen atoms are distributed among five detectable species, of which about 44% is quaternary nitrogen.

Quaternary and Geomorphology.

Science.gov (United States)

Andrews, J. T.; Graf, W. L.

1983-01-01

Highlights conferences and meetings of organizations involved with quaternary geology and geomorphology, including International Union of Quaternary Research Conference held in Moscow. The impetus of a revision of "The Quaternary of the United States" resulted from this conference. Includes activities/aims of "Friends of the…

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

International Nuclear Information System (INIS)

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

2009-01-01

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

Theoretical study of adsorption of lithium atom on carbon nanotube

Directory of Open Access Journals (Sweden)

Masato Senami

2011-12-01

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

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)

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.

Atomic layer deposition of dielectrics for carbon-based electronics

Energy Technology Data Exchange (ETDEWEB)

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

2013-11-01

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

Atomic layer deposition of dielectrics for carbon-based electronics

International Nuclear Information System (INIS)

Kim, J.; Jandhyala, S.

2013-01-01

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

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

DEFF Research Database (Denmark)

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

2010-01-01

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

Theoretical study of adsorption of lithium atom on carbon nanotube

OpenAIRE

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

2011-01-01

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

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).

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.

Effect of aminoacids on the fungicidal activity of quaternary ammonium salts

Directory of Open Access Journals (Sweden)

Jerzy Piątkowski

2013-12-01

Full Text Available Amphipatic compounds exhibit an antimicrobial action both on bacteria and fungi. It is caused by a penetrative property of hydrophobic carbon chain of the compuound into a plasma membrane as well as by additional interaction of membrane elements and a hydrophilic amphipathic compound head. Bactericidal and fungicidal activity of this compound strongly depends on chemical environmental factors. In general, microorganisms are not as sensitive in a full medium as in a minimal one and the level of sensitivity rises when the amphipatic compounds are presend in destilled water. Similarly, the sensitivity is stronger in fluid than on solid medium. Our researches revealed however that some aminoacids, although they are complex organic compounds, increase the microbial sensitivity to some tested compound. This efect depends on a microorganism and on a kind of compound. The highest hipersensitivity has been observed against yeast-like fungi when arginine was a cooperating aminoacid. The effect concerns Trichosporon but not E.coli, not occurs in relation to SDS, quaternary ammonium salt IA, and bisammonium salts. Certainly the effect exhibit QAS, which have simple composition of hydrophilic „head” consisting only of methyl group, attaching to alkilic chain possessing keton group, build of 14 or 16 carbon atoms.

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

Directory of Open Access Journals (Sweden)

Alberto Milani

2015-02-01

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

Chemical control of electrical contact to sp² carbon atoms.

Science.gov (United States)

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

2014-04-16

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

Chemical control of electrical contact to sp2 carbon atoms

Science.gov (United States)

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

2014-04-01

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Low Pt content Pt-Ru-Ir-Sn quaternary catalysts for anodic methanol oxidation in DMFC

Energy Technology Data Exchange (ETDEWEB)

Neburchilov, Vladimir; Wang, Haijiang; Zhang, Jiujun [Institute for Fuel Cell Innovation, National Research Council (Canada)

2007-07-15

In this communication we report our research work on low Pt content Pt-Ru-Ir-Sn quaternary catalysts for use in DMFC anodes. The carbon-supported quaternary metal alloy catalyst was synthesized according to the solution reduction method and was deposited onto a carbon fiber paper or a carbon aerogel nanofoam to form the anode for direct methanol fuel cells. The Pt loading of the electrode is 0.1 mg/cm{sup 2}. The testing results from a three-electrode electrochemical cell show that the simultaneous use of higher Ir (25-35 wt.%) and Sn (10 wt.%) content gives satisfactory stability and higher activity for methanol oxidation than the commercially available E-TEK anode (80%[0.5Pt 0.5Ru]/C on carbon cloth). Energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), scanning electron microscope (SEM), and Bruner-Emmett-Teller method (BET) measurements were carried out to characterize the composition, structure, morphology, and surface area of the developed catalysts. (author)

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

Uranium-series dating of Quaternary deposits

International Nuclear Information System (INIS)

Schwarcz, H.; Gascoyne, M.

1984-01-01

In view of the interest in the problem of time scales in geomorphology it is fortunate that there exists a number of geochronometers applicable to the measurement of the age of such young deposits. This paper is specifically devoted to those which arise from the disequilibrium between the daughter isotopes of U-238 and U-235, and their respective parents. The authors describe applications to Quaternary continental deposits that can give information about climatic change (travertine, lacrustine limestones, pedogenic carbonates, detrinal sediments, volcanic rocks). (Auth.)

Understanding the carbon cycle in a Late Quaternary-age limestone aquifer system using radiocarbon of dissolved inorganic and organic carbon

Science.gov (United States)

Bryan, Eliza; Meredith, Karina T.; Baker, Andy; Andersen, Martin S.; Post, Vincent E. A.

2017-04-01

expected. LC-OCD chromatography of these groundwaters were found to contain higher concentrations of humic substances, that are most likely attributed to the presence of paleosol horizons at depth in the limestone, which are a common feature in aeolianite deposits along the Western coast of Australia and are related to Quaternary sea level change. The paleosols likely contribute old organic matter to the deeper groundwaters, which may explain the lower 14CDOC values. This study has shown that a combined approach that utilises both DIC and DOC tracers, as well as 3H, is required to identify the sources and evolution of carbon in a groundwater system, as well as the processes that effect the application of 14C dating to groundwaters within a carbonate aquifer.

Mineralogy, geochemistry and microfacies of late Quaternary periplatform sediments: Carbonate export cycles and secondary processes - Sanganeb Atoll and Abington Reef, Sudan, Central Red Sea

OpenAIRE

Emmermann, Peter

2000-01-01

A set of sediment cores was obtained in the periplatform realm close to Sanganeb Atoll and Abington Reef, about 20 miles offshore the Sudanese coast in the central Red Sea. Microfacies, mineralogy and geochemistry of periplatform sediments were analysed to quantify glacial-interglacial variations in carbonate production and sediment export of the reefs in response to late Quaternary sealevel fluctuations. The present study showed that the periplatform sediments from the Sudanese shelf to grea...

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)

An assessment of biodegradability of quaternary carbon-containing fragrance compounds: comparison of experimental OECD screening test results and in silico prediction data.

Science.gov (United States)

Seyfried, Markus; Boschung, Alain

2014-05-01

An assessment of biodegradability was carried out for fragrance substances containing quaternary carbons by using data obtained from Organisation for Economic Co-operation and Development (OECD) 301F screening tests for ready biodegradation and from Biowin and Catalogic prediction models. Despite an expected challenging profile, a relatively high percentage of common-use fragrance substances showed significant biodegradation under the stringent conditions applied in the OECD 301F test. Among 27 test compounds, 37% met the pass level criteria after 28 d, while another 26% indicated partial breakdown (≥20% biodegradation). For several compounds for which structural analogs were available, the authors found that structures that were rendered less water soluble by either the presence of an acetate ester or the absence of oxygen tended to degrade to a lesser extent compared to the primary alcohols or oxygenated counterparts under the test conditions applied. Difficulties were encountered when attempting to correlate experimental with in silico data. Whereas the Biowin model combinations currently recommended by regulatory agencies did not allow for a reliable discrimination between readily and nonbiodegradable compounds, only a comparably small proportion of the chemicals studied (30% and 63% depending on the model) fell within the applicability domain of Catalogic, a factor that critically reduced its predictive power. According to these results, currently neither Biowin nor Catalogic accurately reflects the potential for biodegradation of fragrance compounds containing quaternary carbons. © 2014 SETAC.

Revealing the Origin of Activity in Nitrogen-Doped Nanocarbons towards Electrocatalytic Reduction of Carbon Dioxide.

Science.gov (United States)

Xu, Junyuan; Kan, Yuhe; Huang, Rui; Zhang, Bingsen; Wang, Bolun; Wu, Kuang-Hsu; Lin, Yangming; Sun, Xiaoyan; Li, Qingfeng; Centi, Gabriele; Su, Dangsheng

2016-05-23

Carbon nanotubes (CNTs) are functionalized with nitrogen atoms for reduction of carbon dioxide (CO2 ). The investigation explores the origin of the catalyst's activity and the role of nitrogen chemical states therein. The catalysts show excellent performances, with about 90 % current efficiency for CO formation and stability over 60 hours. The Tafel analyses and density functional theory calculations suggest that the reduction of CO2 proceeds through an initial rate-determining transfer of one electron to CO2 , which leads to the formation of carbon dioxide radical anion (CO2 (.-) ). The initial reduction barrier is too high on pristine CNTs, resulting in a very high overpotentials at which the hydrogen evolution reaction dominates over CO2 reduction. The doped nitrogen atoms stabilize the radical anion, thereby lowering the initial reduction barrier and improving the intrinsic activity. The most efficient nitrogen chemical state for this reaction is quaternary nitrogen, followed by pyridinic and pyrrolic nitrogen. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Planktonic foraminifera from a quaternary deep sea core from the southern Arabian Sea

Digital Repository Service at National Institute of Oceanography (India)

Naidu, P.D.; Rao, P.S.; Pattan, J.N.

An investigation on planktonic foraminifera and calcium carbonate content of a box core collected at a depth of 2556 m from the southern part of the Arabian sea indicates faunal changes depicting Quaternary climatic fluctuations. Based on the study...

Asymmetric synthesis of all-carbon benzylic quaternary stereocenters via Cu-catalyzed conjugate addition of dialkylzinc reagents to 5-(1-arylalkylidene) Meldrum's acids.

Science.gov (United States)

Fillion, Eric; Wilsily, Ashraf

2006-03-08

The asymmetric synthesis of all-carbon benzylic quaternary stereocenters has been successfully achieved through copper-catalyzed addition of dialkylzinc reagents to 5-(1-arylalkylidene) and 5-(dihydroindenylidene) Meldrum's acids in the presence of phosphoramidite ligand. The resulting benzyl-substituted Meldrum's acids and 1,1-disubstituted indanes were obtained in good yields and up to 99% ee. The significance of substituting the position para, meta, and ortho to the electrophilic benzylic center was highlighted. A benzyl Meldrum's acid product was further transformed to a 3,3-disubstituted 1-indanone and a beta,beta-disubstituted pentanoic acid.

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.

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

International Nuclear Information System (INIS)

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

1985-01-01

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

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-10-24

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

Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.

Science.gov (United States)

Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A; Han, Jianlin; Pan, Yi

2014-07-14

Here we report that, unlike other ketones, 1-indanone and acetophenone derived enolates undergo Mannich-type addition reactions with N-tert-butanesulfinyl ketimines with excellent yields (up to 98%) and diastereoselectivity (>99/1). The resulting compounds represent a new type of biologically relevant β-aminoketone derivative bearing quaternary stereogenic carbon, which could be further converted into the corresponding β-amino ketones and β-amino alcohols, possessing three consecutive stereogenic centres.

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.

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.

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

International Nuclear Information System (INIS)

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

1977-01-01

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

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

KAUST Repository

Cong, Chunxiao

2013-02-01

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

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

International Nuclear Information System (INIS)

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

2007-01-01

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

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

Science.gov (United States)

Narula, Chaitanya K.; Davison, Brian H.

2015-11-13

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

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

Science.gov (United States)

Narula, Chaitanya K.; Davison, Brian H.

2018-04-17

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

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.)

Evaluation of quaternary ammonium halides for removal of methyl iodide from flowing air streams

International Nuclear Information System (INIS)

Freeman, W.P.; Mohacsi, T.G.; Kovach, J.L.

1985-01-01

The quaternary ammonium halides of several tertiary amines were used as impregnants on activated carbon and were tested for methyl iodide penetration in accordance with test Method A, ASTM D3803, 1979, ''Standard Test Methods for Radio-iodine Testing of Nuclear Grade Gas Phase Adsorbents''. The results suggest that the primary removal mechanism for methyl iodide-131 is isotopic exchange with the quaternary ammonium halide. For example, a 5 wt% impregnation of each of the tetramethyl, tetraethyl, tetrapropyl and tetrabutyl ammonium iodides on activated carbon yielded percent penetrations of 0.47, 0.53, 0.78, and 0.08 respectively when tested according to Method A of ASTM D3803. A sample impregnated with 5% tetramethyl ammonium hydroxide gave a methyl iodide penetration of 64.87%, thus supporting the isotopic exchange mechanism for removal. It has been a generally held belief that the success of tertiary amines as impregnants for radioiodine removal is a result of their ability to complex with the methyl iodide. The results of the work indicates that the superiority of the tertiary amines similar to triethylene diamine and quinuclidine, when compared to their straight chain analogs, is a result of their ease in reacting with methyl iodide-127 to form the quaternary ammonium iodide followed by isotopic exchange

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-11-07

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

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

Science.gov (United States)

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

2013-11-01

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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)

Cyclohexanecarbonitriles: Assigning Configurations at Quaternary Centers From 13C NMR CN Chemical Shifts.1

Science.gov (United States)

Wei, Guoqing

2009-01-01

13C NMR chemical shifts of the nitrile carbon in cyclohexanecarbonitriles directly correlate with the configuration of the quaternary, nitrile-bearing stereocenter. Comparing 13C NMR chemical shifts for over 200 cyclohexanecarbonitriles reveals that equatorially oriented nitriles resonate 3.3 ppm downfield, on average, from their axial counterparts. Pairs of axial/equatorial diastereomers varying only at the nitrile-bearing carbon consistently exhibit downfield shifts of δ 0.4–7.2 for the equatorial nitrile carbon, even in angularly substituted decalins and hydrindanes. PMID:19348434

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

Science.gov (United States)

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

2014-08-21

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

A novel boron-rich quaternary scandium borocarbosilicide Sc3.67-xB41.4-y-zC0.67+zSi0.33-w

International Nuclear Information System (INIS)

Tanaka, Takaho; Yamamoto, Akiji; Sato, Akira

2004-01-01

A novel quaternary scandium borocarbosilicide Sc 3.67-x B 41.4-y-z C 0.67+z Si 0.33-w was found. Single crystallites were obtained as an intergrowth phase in the float-zoned single crystal of Sc 0.83-x B 10.0-y C 0.17+y Si 0.083-z that has a face-centered cubic crystal structure. Single crystal structure analysis revealed that the compound has a hexagonal structure with lattice constants a = b = 1.43055(8) nm and c = 2.37477(13) nm and space group P6-barm2 (No. 187). The crystal composition calculated from the structure analysis for the crystal with x = 0.52, y = 1.42, z = 1.17, and w = 0.02 was ScB 12.3 C 0.58 Si 0.10 and that agreed rather well with the composition of ScB 11.5 C 0.61 Si 0.04 measured by EPMA. In the crystal structure that is a new structure type of boron-rich borides, there are 79 structurally independent atomic sites, 69 boron and/or carbon sites, two silicon sites and eight scandium sites. Boron and carbon form seven structurally independent B 12 icosahedra, one B 9 polyhedron, one B 10 polyhedron, one irregularly shaped B 16 polyhedron in which only 10.7 boron atoms are available because of partial occupancies and 10 bridging sites. All polyhedron units and bridging site atoms interconnect each other forming a three-dimensional boron framework structure. Sc atoms reside in the open spaces in the boron framework structure

Palladium-catalyzed asymmetric alkylation in the synthesis of cyclopentanoid and cycloheptanoid core structures bearing all-carbon quaternary stereocenters

KAUST Repository

Hong, Allen Y.

2011-12-01

General catalytic asymmetric routes toward cyclopentanoid and cycloheptanoid core structures embedded in numerous natural products have been developed. The central stereoselective transformation in our divergent strategies is the enantioselective decarboxylative alkylation of seven-membered β-ketoesters to form α-quaternary vinylogous esters. Recognition of the unusual reactivity of β-hydroxyketones resulting from the addition of hydride or organometallic reagents enabled divergent access to γ-quaternary acylcyclopentenes through a ring contraction pathway or γ-quaternary cycloheptenones through a carbonyl transposition pathway. Synthetic applications of these compounds were explored through the preparation of mono-, bi-, and tricyclic derivatives that can serve as valuable intermediates for the total synthesis of complex natural products. This work complements our previous work with cyclohexanoid systems.

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.

Comparison of GPS and Quaternary slip rates: Insights from a new Quaternary fault database for Central Asia

Science.gov (United States)

Mohadjer, Solmaz; Ehlers, Todd; Bendick, Rebecca; Mutz, Sebastian

2016-04-01

Previous studies related to the kinematics of deformation within the India-Asia collision zone have relied on slip rate data for major active faults to test kinematic models that explain the deformation of the region. The slip rate data, however, are generally disputed for many of the first-order faults in the region (e.g., Altyn Tagh and Karakorum faults). Several studies have also challenged the common assumption that geodetic slip rates are representative of Quaternary slip rates. What has received little attention is the degree to which geodetic slip rates relate to Quaternary slip rates for active faults in the India-Asia collision zone. In this study, we utilize slip rate data from a new Quaternary fault database for Central Asia to determine the overall relationship between Quaternary and GPS-derived slip rates for 18 faults. The preliminary analysis investigating this relationship uses weighted least squares and a re-sampling analysis to test the sensitivity of this relationship to different data point attributes (e.g., faults associated with data points and dating methods used for estimating Quaternary slip rates). The resulting sample subsets of data points yield a maximum possible Pearson correlation coefficient of ~0.6, suggesting moderate correlation between Quaternary and GPS-derived slip rates for some faults (e.g., Kunlun and Longmen Shan faults). Faults with poorly correlated Quaternary and GPS-derived slip rates were identified and dating methods used for the Quaternary slip rates were examined. Results indicate that a poor correlation between Quaternary and GPS-derived slip rates exist for the Karakorum and Chaman faults. Large differences between Quaternary and GPS slip rates for these faults appear to be connected to qualitative dating of landforms used in the estimation of the Quaternary slip rates and errors in the geomorphic and structural reconstruction of offset landforms (e.g., offset terrace riser reconstructions for Altyn Tagh fault

The Unique Hoyle State of the Carbon Atom

Directory of Open Access Journals (Sweden)

Thorvaldsen, Steinar

2015-05-01

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

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

Science.gov (United States)

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

2017-09-01

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

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

Science.gov (United States)

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

2017-07-01

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

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

International Nuclear Information System (INIS)

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

2010-01-01

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

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

Science.gov (United States)

Bondarenko, Natalya V; Nedolya, Anatoliy V

2017-12-01

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

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

Science.gov (United States)

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

2018-03-01

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

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

International Nuclear Information System (INIS)

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

2009-01-01

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

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

International Nuclear Information System (INIS)

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

1975-01-01

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

Designing Novel Quaternary Quantum Reversible Subtractor Circuits

Science.gov (United States)

Haghparast, Majid; Monfared, Asma Taheri

2018-01-01

Reversible logic synthesis is an important area of current research because of its ability to reduce energy dissipation. In recent years, multiple valued logic has received great attention due to its ability to reduce the width of the reversible circuit which is a main requirement in quantum technology. Subtractor circuits are between major components used in quantum computers. In this paper, we will discuss the design of a quaternary quantum reversible half subtractor circuit using quaternary 1-qudit, 2-qudit Muthukrishnan-Stroud and 3-qudit controlled gates and a 2-qudit Generalized quaternary gate. Then a design of a quaternary quantum reversible full subtractor circuit based on the quaternary half subtractor will be presenting. The designs shall then be evaluated in terms of quantum cost, constant input, garbage output, and hardware complexity. The proposed quaternary quantum reversible circuits are the first attempt in the designing of the aforementioned subtractor.

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

Science.gov (United States)

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

2018-03-01

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

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

International Nuclear Information System (INIS)

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

2011-01-01

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

13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

Science.gov (United States)

Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-12-01

Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent's surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

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.

Quaternary ammonium isobaric tag for a relative and absolute quantification of peptides.

Science.gov (United States)

Setner, Bartosz; Stefanowicz, Piotr; Szewczuk, Zbigniew

2018-02-01

Isobaric labeling quantification of peptides has become a method of choice for mass spectrometry-based proteomics studies. However, despite of wide variety of commercially available isobaric tags, none of the currently available methods offers significant improvement of sensitivity of detection during MS experiment. Recently, many strategies were applied to increase the ionization efficiency of peptides involving chemical modifications introducing quaternary ammonium fixed charge. Here, we present a novel quaternary ammonium-based isobaric tag for relative and absolute quantification of peptides (QAS-iTRAQ 2-plex). Upon collisional activation, the new stable benzylic-type cationic reporter ion is liberated from the tag. Deuterium atoms were used to offset the differential masses of a reporter group. We tested the applicability of QAS-iTRAQ 2-plex reagent on a series of model peptides as well as bovine serum albumin tryptic digest. Obtained results suggest usefulness of this isobaric ionization tag for relative and absolute quantification of peptides. Copyright © 2017 John Wiley & Sons, Ltd.

Agricultural contaminants in Quaternary aquitards: A review of occurrence and fate in North America

Science.gov (United States)

Rodvang, S. J.; Simpkins, W. W.

2001-01-01

The intensity of agriculture has increased significantly during the past 30 years, resulting in increased detection of agricultural contaminants (nutrients, pesticides, salts, trace elements, and pathogens) in groundwater. Till, glaciolacustrine, and loess deposits of Quaternary age compose the most common surficial deposits underlying agricultural areas in North America. Quaternary aquitards generally contain higher concentrations of solid organic carbon (SOC, as much as 1.4%), dissolved organic carbon (DOC, as much as 205 mg/L), and reduced sulfur (as much as 0.9%) than do aquifers. Their potential to sorb pesticides increases with the percent of older SOC, because diagenesis increases Koc. Denitrification consistently reduces nitrate to non-detectable levels in unweathered Quaternary aquitards. Organic carbon of Quaternary age is a more labile electron donor than carbon from shale clasts. Pyrite is a more labile electron donor than carbon in many instances. Unweathered Quaternary aquitards provide a high degree of protection for underlying aquifers, due to their large reserves of SOC and reduced sulfur for sorption and denitrification, combined with their typically low hydraulic conductivity. In contrast, agricultural contaminants are common in weathered Quaternary aquitards. Lower reserves of reduced sulfur and sorptive/labile organic carbon, and a higher bulk K due to fractures, limit their ability to attenuate nitrate and pesticides. Subsurface drainage, which is common in Quaternary aquitards because of high water tables, bypasses the attenuation capacity of Quaternary aquitards and facilitates the transport of agricultural contaminants to surface water. Résumé. L'agriculture s'est significativement accrue au cours des dernières 30 années, provoquant une détection plus fréquente dans les eaux souterraines de contaminants agricoles (engrais, pesticides, sels, éléments en traces et germes pathogènes). Les moraines, les formations glacio-lacustres et

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.

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)

Uranium and thorium series disequilibrium in quaternary carbonate deposits from the Serra da Bodoquena and Pantanal do Miranda, Mato Grosso do Sul State, central Brazil

International Nuclear Information System (INIS)

Ribeiro, Fernando Brenha; Roque, Arnaldo; Boggiani, Paulo Cesar; Flexor, J.-M.

2001-01-01

Activities of gamma-ray emitting members of the uranium ( 238 U) and thorium ( 232 Th) series were measured in a quaternary limestone deposit that outcrops in the southeastern Pantanal Matogrossense Basin and in quaternary tufas deposited at the drainage of the Serra da Bodoquena. It is a first step in a study of the mobilization of uranium and thorium series and its relation to surface hydrology, in a region where carbonate deposits are being continuously dissolved and reprecipitated. The obtained results show that all these deposits are characterized by very low concentrations of uranium and thorium. The 238 U/ 226 Ra and 228 Th/ 228 Ra activity ratios are significantly different than 1.0, indicating that both series are in radioactive disequilibrium. Although the Serra da Bodoquena deposits seem to be very recent, their very fine granulation and high porosity suggest that they behave as open systems for geochemical exchanges of uranium and thorium series members. The Pantanal do Miranda limestone has a radiocarbon age of 3900 yr BP. Since the thorium series is in disequilibrium it is also concluded that this deposit behaves as an open system for geochemical exchanges

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.

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

International Nuclear Information System (INIS)

Jalili, S.; Majidi, R.

2007-01-01

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

Metal atom oxidation laser

International Nuclear Information System (INIS)

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

1975-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2010-07-01

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

Carbon nanotube Schottky diode: an atomic perspective

International Nuclear Information System (INIS)

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

2008-01-01

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

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

International Nuclear Information System (INIS)

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

2008-01-01

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

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.

Origin of Bermuda's clay-rich Quaternary paleosols and their paleoclimatic significance

Science.gov (United States)

Herwitz, S.R.; Muhs, D.R.; Prospero, J.M.; Mahan, S.; Vaughn, B.

1996-01-01

Red clayey paleosols that are chiefly the product of aerosolic dust deposition are interbedded in the Quaternary carbonate formations of the Bermuda oceanic island system. These paleosols provide a basis for reconstructing Quaternary atmospheric circulation patterns in the northwestern Atlantic. Geochemical analyses were performed on representative paleosol samples to identify their parent dust source. Fine-grained fractions were analyzed by energy-dispersive X ray fluorescence to determine trace element (Zr, Y, La, Ti, and Nb) concentrations and to derive geochemical signatures based on immobile element ratios. These ratios were compared with geochemical signatures determined for three possible sources of airborne dust: (1) Great Plains loess, (2) Mississippi River Valley loess, and (3) Saharan dust. The Zr/Y and Zr/La ratios provided the clearest distinction between the hypothesized dust sources. The low ratios in the paleosol B horizons most closely resemble Saharan dust in the the two North American loessial source areas could not be clearly detected. Thus Bermuda paleosols have a predominantly Saharan aerosolic dust signature. Saharan dust deposition on Bermuda during successive Quaternary glacial periods is consistent with patterns of general circulation models, which indicate that during glacial maxima the northeast summer trade winds were stronger than at present and reached latitudes higher than 30 ?? N despite lower-than-present sea surface temperatures in the North Atlantic.

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.

13C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

International Nuclear Information System (INIS)

Cao, Wei; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-01-01

Highlights: • 13 C NMR and XPS were successfully used to characterize quaternary ammonium groups in the surface of crop straw based anion adsorbents. • The results obtained from different kinds of crop straw material clearly confirmed the presence of quaternary ammonium groups. • The composition of C-groups and N-groups also were determined by curving fitting of high-resolution XPS C1 and N1 spectra. - Abstract: Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used 13 C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. 13 C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent’s surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that 13 C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

Quaternary fault in Hwalseong-ri, Oedong-up, Gyeongju, Korea.

Energy Technology Data Exchange (ETDEWEB)

Ryoo, Chung-Ryul; Chwae, Uee-Chan; Choi, Sung-Ja [Korea Institute of Geoscience and Mineral Resources, Taejeon(Korea); Son, Moon [Pusan National University, Pusan(Korea)

2001-09-01

We describe a Quaternary fault occurring in Hwalseong-ri, Oedong-up, Gyeongju in the eastern part of Ulsan Fault Zone, Korea. This fault (Hwalseongri Fault) is developed around the contact between the early Tertiary granite and the Quaternary gravel layer. Four different faults are distinguished from west to east: (1) fault within Quaternary gravel layer, (2) fault between Quaternary gravel layer and granite, (3) fault between Quaternary gravel layer overlying granite and granite, (4) fault between granite and Quaternary layer. General strike of the fault zone vary from NNW to NE, dipping to east. Two striations, E-W and N-S, are developed. The former is related mainly to the reverse faulting, and the latter to the sinistral shearing. This fault zone was reactivated, and considered as a positive flower structure mainly by the results of the E-W compression in the southeastern part of the Korean Peninsula during Quaternary. (author). 45 refs., 6 figs.

Optical absorption analysis of quaternary molybdate- and tungstate-ordered double perovskites

Energy Technology Data Exchange (ETDEWEB)

Tablero, C., E-mail: ctablero@etsit.upm.es

2015-08-05

Highlights: • These compounds present a high optical absorption. • The absorption coefficients using different DFT + U alternatives have been compared. • The absorption coefficients have been split into different contributions. • The maximum efficiency is near the maximum efficiency for multiple-gap solar cells. - Abstract: Quaternary-ordered double perovskite A{sub 2}MM′O{sub 6} (M = Mo,W) semiconductors are a group of materials with a variety of photocatalytic and optoelectronic applications. An analysis focused on the optoelectronic properties is carried out using first-principles density-functional theory with several U orbital-dependent one-electron potentials applied to different orbital subspaces. The structural non-equivalence of the atoms resulting from the symmetry has been taken in account. In order to analyze optical absorption in these materials deeply, the absorption coefficients have been split into inter- and intra-non-equivalent species contributions. The results indicate that the effect of the A and M′ atoms on the optical properties are minimal whereas the largest contribution comes from the non-equivalent O atoms to M transitions.

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.

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.

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.

Quaternary palaeoceanography and palaeogeography in Northern Denmark

DEFF Research Database (Denmark)

Knudsen, Karen Luise; Conradsen, Keld; Heier‐Nielsen, Susanne

1996-01-01

Palaeoenvironmental reconstructions from the Skagen record contribute to the understanding of Late Quaternary climatic changes and variations in the oceanographic circulation pattern in the entire North Atlantic region. The Skagen cores penetrated c. 192 m of Quaternary sediments comprising two...... the Holocene, including the Pleistocene-Holocene transition. Results from the study of lithology, foraminifera, stable isotope measurements and radiocarbon dates are reviewed while emphasizing the most important contributions to the general understanding of the North Atlantic Quaternary history....

Optical analysis of lens-like Cu{sub 2}CdSnS{sub 4} quaternary alloy nanostructures

Energy Technology Data Exchange (ETDEWEB)

Odeh, Ali Abu; Ayub, R.M. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); Al-Douri, Y. [University Malaysia Perlis, Institute of Nano Electronic Engineering, Kangar, Perlis (Malaysia); University of Sidi-Bel-Abbes, Physics Department, Faculty of Science, Sidi-Bel-Abbes (Algeria); Ameri, M. [Universite Djilali Liabes de Sidi Bel- Abbes, Laboratoire Physico-Chimie des Materiaux Avances (LPCMA), Sidi-Bel-Abbes (Algeria); Bouhemadou, A. [University of Setif 1, Laboratory for Developing New Materials and Their Characterization, Setif (Algeria); Prakash, Deo [SMVD University, Faculty of Engineering, School of Computer Science and Engineering, Kakryal, Katra, J and K (India); Verma, K.D. [S.V. College, Material Science Research Laboratory, Department of Physics, Aligarh, U.P. (India)

2016-10-15

Cu{sub 2}CdSnS{sub 4} quaternary alloy nanostructures with different copper concentrations (0.2, 0.4, 0.6, 0.8 and 1.0 M) were successfully synthesized on n-type silicon substrates using spin coating technique with annealing temperature at 300 C. Optical properties were analyzed through UV-Vis and Photoluminescence spectroscopies, and thus, there is a change in energy band gap with increasing Cu concentration from 0.2 to 1.0 M. The structural properties of Cu{sub 2}CdSnS{sub 4} quaternary alloy nanostructures were investigated by X-ray diffraction. The particles size and shape have a direct relationship with copper concentration. Morphological and topographical studies were carried out by using scanning electron microscopy and atomic force microscopy. The obtained results are investigated to be available in the literature for future studies. (orig.)

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.

Asymmetric Diels-Alder Reaction of α-Substituted and β,β-Disubstituted α,β-Enals via Diarylprolinol Silyl Ether for the Construction of All-Carbon Quaternary Stereocenters.

Science.gov (United States)

Hayashi, Yujiro; Bondzic, Bojan P; Yamazaki, Tatsuya; Gupta, Yogesh; Ogasawara, Shin; Taniguchi, Tohru; Monde, Kenji

2016-10-24

The asymmetric Diels-Alder reaction of α-substituted acrolein proceeds in the presence of the trifluoroacetic acid salt of trifluoromethyl-substituted diarylprolinol silyl ether to afford the exo-isomer with both excellent diastereoselectivity and high enantioselectivity. In the Diels-Alder reaction of a β,β-disubstituted α,β-unsaturated aldehyde, good exo-selectivity and excellent enantioselectivity was obtained when the perchloric acid salt of the bulky triisopropyl silyl ether of trifluoromethyl substituted diarylprolinol was employed as an organocatalyst in the presence of water. In both cases, all-carbon quaternary stereocenters are constructed enantioselectively. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

{sup 13}C NMR and XPS characterization of anion adsorbent with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse

Energy Technology Data Exchange (ETDEWEB)

Cao, Wei, E-mail: weicao@hqu.edu.cn; Wang, Zhenqian; Zeng, Qingling; Shen, Chunhua

2016-12-15

Highlights: • {sup 13}C NMR and XPS were successfully used to characterize quaternary ammonium groups in the surface of crop straw based anion adsorbents. • The results obtained from different kinds of crop straw material clearly confirmed the presence of quaternary ammonium groups. • The composition of C-groups and N-groups also were determined by curving fitting of high-resolution XPS C1 and N1 spectra. - Abstract: Despite amino groups modified crop straw has been intensively studied as new and low-cost adsorbent for removal of anionic species from water, there is still a lack of clear characterization for amino groups, especially quaternary ammonium groups in the surface of crop straw. In this study, we used {sup 13}C NMR and XPS technologies to characterize adsorbents with quaternary ammonium groups prepared from rice straw, corn stalk and sugarcane bagasse. {sup 13}C NMR spectra clearly showed the presence of quaternary ammonium groups in lignocelluloses structure of modified crop straw. The increase of nitrogen observed in XPS survey spectra also indicated the existence of quaternary ammonium group in the surface of the adsorbents. The curve fitting of high-resolution XPS N1s and C1s spectra were conducted to probe the composition of nitrogen and carbon contained groups, respectively. The results showed the proportion of quaternary ammonium group significantly increased in the prepared adsorbent’s surface that was dominated by methyl/methylene, hydroxyl, quaternary ammonium, ether and carbonyl groups. This study proved that {sup 13}C NMR and XPS could be successfully utilized for characterization of quaternary ammonium modified crop straw adsorbents.

Mutagenicity of quaternary ammonium salts containing carbohydrate moieties

Energy Technology Data Exchange (ETDEWEB)

Dmochowska, Barbara [Department of Carbohydrate Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Piosik, Jacek; Woziwodzka, Anna [Intercollegiate Faculty of Biotechnology, University of Gdansk and Medical University of Gdansk, Kladki 24, 80-822 Gdansk (Poland); Sikora, Karol; Wisniewski, Andrzej [Department of Carbohydrate Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Wegrzyn, Grzegorz, E-mail: wegrzyn@biotech.univ.gda.pl [Department of Molecular Biology, University of Gdansk, Kladki 24, 80-822 Gdansk (Poland)

2011-10-15

Highlights: {yields} A series of quaternary ammonium salts containing carbohydrate moieties, with configuration D-galacto, D-gluco and D-manno, was synthesized and characterized. {yields} The quaternary ammonium salts containing carbohydrate moieties revealed potent mutagenic activities, as assessed by using the Vibrio harveyi bioluminescence mutagenicity test. {yields} The N-[2-(D-glycopyranosyloxy)ethyl]-N,N,N-trimethylaminium salts were of the highest activity in the mutagenicity assay. {yields} We suggest that quaternary ammonium salts may be more hazardous than previously supposed. - Abstract: Quaternary ammonium salts are widely used in industrial, agricultural, healthcare and domestic applications. They are believed to be safe compounds, with little or no health hazard to humans. However, in this report, we demonstrate that a series of newly synthesized quaternary ammonium salts containing carbohydrate moieties reveal potent mutagenic activities, as assessed by using the Vibrio harveyi bioluminescence mutagenicity test. D-Gluco- and D-galacto-derivatives were found to have a higher mutagenic potential than D-manno-derivatives. Among the former groups of compounds, the N-[2-(D-glycopyranosyloxy)ethyl]-N,N,N-trimethylaminium salts were of the highest activity in the mutagenicity assay. These results suggest that the safety of quaternary ammonium salts may be lower than previously supposed, indicating a need for testing such compounds for their mutagenicity.

Mutagenicity of quaternary ammonium salts containing carbohydrate moieties

International Nuclear Information System (INIS)

Dmochowska, Barbara; Piosik, Jacek; Woziwodzka, Anna; Sikora, Karol; Wisniewski, Andrzej; Wegrzyn, Grzegorz

2011-01-01

Highlights: → A series of quaternary ammonium salts containing carbohydrate moieties, with configuration D-galacto, D-gluco and D-manno, was synthesized and characterized. → The quaternary ammonium salts containing carbohydrate moieties revealed potent mutagenic activities, as assessed by using the Vibrio harveyi bioluminescence mutagenicity test. → The N-[2-(D-glycopyranosyloxy)ethyl]-N,N,N-trimethylaminium salts were of the highest activity in the mutagenicity assay. → We suggest that quaternary ammonium salts may be more hazardous than previously supposed. - Abstract: Quaternary ammonium salts are widely used in industrial, agricultural, healthcare and domestic applications. They are believed to be safe compounds, with little or no health hazard to humans. However, in this report, we demonstrate that a series of newly synthesized quaternary ammonium salts containing carbohydrate moieties reveal potent mutagenic activities, as assessed by using the Vibrio harveyi bioluminescence mutagenicity test. D-Gluco- and D-galacto-derivatives were found to have a higher mutagenic potential than D-manno-derivatives. Among the former groups of compounds, the N-[2-(D-glycopyranosyloxy)ethyl]-N,N,N-trimethylaminium salts were of the highest activity in the mutagenicity assay. These results suggest that the safety of quaternary ammonium salts may be lower than previously supposed, indicating a need for testing such compounds for their mutagenicity.

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.

Ring-Contraction Strategy for the Practical, Scalable, Catalytic Asymmetric Synthesis of Versatile γ-Quaternary Acylcyclopentenes

KAUST Repository

Hong, Allen Y.

2011-02-24

Contraction action! A simple protocol for the catalytic asymmetric synthesis of highly functionalized γ-quaternary acylcyclopentenes (see schematic) in up to 91 % overall yield and 92 % ee has been developed. The reaction sequence employs a palladium-catalyzed enantioselective alkylation reaction and exploits the unusual stability of β-hydroxy cycloheptanones to achieve a general and robust method for performing two-carbon ring contractions.

Ring-Contraction Strategy for the Practical, Scalable, Catalytic Asymmetric Synthesis of Versatile γ-Quaternary Acylcyclopentenes

KAUST Repository

Hong, Allen Y.; Krout, Michael R.; Jensen, Thomas; Bennett, Nathan B.; Harned, Andrew M.; Stoltz, Brian M.

2011-01-01

Contraction action! A simple protocol for the catalytic asymmetric synthesis of highly functionalized γ-quaternary acylcyclopentenes (see schematic) in up to 91 % overall yield and 92 % ee has been developed. The reaction sequence employs a palladium-catalyzed enantioselective alkylation reaction and exploits the unusual stability of β-hydroxy cycloheptanones to achieve a general and robust method for performing two-carbon ring contractions.

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

Directory of Open Access Journals (Sweden)

Qing-Sheng Yang

2014-01-01

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

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

NARCIS (Netherlands)

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

2014-01-01

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

Synthesis of ribavirin 2’-Me-C-nucleoside analogues

Directory of Open Access Journals (Sweden)

Fanny Cosson

2017-04-01

Full Text Available An efficient synthetic pathway leading to two carbonated analogues of ribavirin is described. The key-steps in the synthesis of these ribosyltriazoles bearing a quaternary carbon atom in the 2’-position are an indium-mediated alkynylation and a 1,3-dipolar cyclization.

First-principles study of new series of quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb)

Energy Technology Data Exchange (ETDEWEB)

Bouabça, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Rozale, H., E-mail: hrozale@yahoo.fr [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Amar, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Wang, X.T. [School of Physics and Electronic Engineering, Chongqing Normal University, Chongqing 400044 (China); Sayade, A. [UCCS, CNRS-UMR 8181, Université d’Artois, Faculté des Sciences Jean Perrin, Rue Jean Souvraz, SP 18, 62307 Lens Cedex (France); Chahed, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria)

2016-12-01

The structural, electronic, magnetic, and thermal properties of new quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb) were investigated using the full-potential linearized augmented plane wave (FPLAPW) within the generalized gradient approximation (GGA) and GGA plus modified Becke and Johnson as the exchange correlation. The results showed that all Heusler compounds were stable in Type (I) structure. The CsSrCZ (Z=Si, Ge, Sn) compounds had a nearly HM characteristic, and CsSrCZ (Z=P, As, Sb) compounds were true half-metallic (HM) ferromagnets. The strong spin polarization of p orbital for C, Si, Ge, Sn, P, As, and Sb atoms is found to be the origin of ferromagnetic. The half-metallicity is preserved up to a lattice contraction of 3.45%, 1.69%, 1.69%, 7.16%, 7.16%, and 11.2% for all six quaternary Heusler compounds. We also investigated the thermal effects using the quasi-harmonic Debye model. - Highlights: • Electronic, magnetic, and thermodynamic properties of CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb) are investigated. • Until now, there have been no reports theoretical and experimental studies on d{sup 0} half-metals with quaternary structures. • The strong spin polarization of p orbital for C, Si, Ge, Sn, P, As, and Sb atoms is found to be the origin of ferromagnetic. • The half-metallicity is preserved up to a lattice contraction.

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.

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.

Controls on Cyclic Formation of Quaternary Early Diagenetic Dolomite

Science.gov (United States)

McCormack, J.; Bontognali, T. R. R.; Immenhauser, A.; Kwiecien, O.

2018-04-01

The origin of sedimentary dolomite and the factors that control its formation within the geological record remain speculative. In most models, dolomite formation is linked to evaporative conditions, high water temperature, increasing Mg/Ca ratio, increasing alkalinity, and high amounts of biomass. Here we challenge these archetypal views, by documenting a case example of Quaternary dolomite which formed in Lake Van at constantly low temperature (stress, resulting from reventilation of the water-sediment interface. Independently from the validity of this hypothesis, our results call for a reevaluation of the paleoenvironmental conditions often invoked for early diagenetic dolomite-rich intervals within sedimentary sequences and for caution when interpreting time series of subrecent lacustrine carbonates.

PRN 88-2: Clustering of Quaternary Ammonium Compounds

Science.gov (United States)

This Notice announces that EPA has clustered the Quaternary Ammonium Compounds into four groups for the purpose of testing chemicals to build a database that will support continued registration of the entire family of quaternary ammonium compounds

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...

Climate predictors of late quaternary extinctions

DEFF Research Database (Denmark)

Nogués-Bravo, David; Ohlemüller, Ralf; Batra, Persaram

2010-01-01

Between 50,000 and 3,000 years before present (BP) 65% of mammal genera weighing over 44 kg went extinct, together with a lower proportion of small mammals. Why species went extinct in such large numbers is hotly debated. One of the arguments proposes that climate changes underlie Late Quaternary...... extinctions, but global quantitative evidence for this hypothesis is still lacking. We test the potential role of global climate change on the extinction of mammals during the Late Quaternary. Our results suggest that continents with the highest climate footprint values, in other words, with climate changes...... of greater magnitudes during the Late Quaternary, witnessed more extinctions than continents with lower climate footprint values, with the exception of South America. Our results are consistent across species with different body masses, reinforcing the view that past climate changes contributed to global...

Ultrasonic enhancement of the simultaneous removal of quaternary toxic organic dyes by CuO nanoparticles loaded on activated carbon: Central composite design, kinetic and isotherm study.

Science.gov (United States)

Dashamiri, Somayeh; Ghaedi, Mehrorang; Dashtian, Kheibar; Rahimi, Mahmood Reza; Goudarzi, Alireza; Jannesar, Ramin

2016-07-01

Copper oxide nanoparticles loaded on activated carbon (CuO-NPs-AC) were prepared and fully analyzed and characterized with FE-SEM, XRD and FT-IR. Subsequently, this novel material was used for simultaneous ultrasound-assisted adsorption of brilliant green (BG), auramine O (AO), methylene blue (MB) and eosin yellow (EY) dyes. Problems regard to dyes spectra overlap in quaternary solution of this dyes were omitted by derivative spectrophotometric method. The best pH in quaternary system was studied by using one at a time method to achieved maximum dyes removal percentage. Subsequently, sonication time, adsorbent dosage and initial dyes concentrations influence on dyes removal was optimized by central composite design (CCD) combined with desirability function approach (DFA). Desirability score of 0.978 show optimum conditions set at sonication time (4.2 min), adsorbent mass (0.029 g), initial dyes concentration (4.5 mg L(-1)). Under this optimum condition the removal percentage for MB, AO, EY and BG dyes 97.58, 94.66, 96.22 and 94.93, respectively. The adsorption rate well fitted by pseudo second-order while adsorption capacity according to the Langmuir model as best equilibrium isotherm model for BG, MB, AO and EY was 20.48, 21.26, 22.34 and 21.29 mg g(-1), respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Late quaternary palaeo-oceanography and palaeo-climatology from sediment cores of the eastern Arctic Ocean

International Nuclear Information System (INIS)

Pagels, U.; Koehler, S.

1991-01-01

Box cores recovered along a N-S transect in the Eurasian Basin allow the establishment of a time scale for the Late Quaternary history of the Arctic Ocean, based on stable oxygen isotope stratigraphy and AMS 14 C dating of planktonic foraminifers (N. pachyderma I.c.). This high resolution stratigraphy, in combination with sedimentological investigations (e.g. coarse fraction analysis, carbonate content, productivity of foraminifers), was carried out to reconstruct the glacial and inter-glacial Arctic Ocean palaeo-environment The sediment cores, which can be correlated throughout the sampling area in the Eastern Arctic Ocean, were dated as representing oxygen isotope stages 1 to 4/5. The sedimentation rates varied between a few mm/ka in glacials and approximately one cm/ka during the Holocene. The sediments allow a detailed sedimentological description of the depositional regime and the palaeo-oceanography of the Eastern Arctic Ocean. Changing ratios of biogenic and lithogenic components in the sediments reflect variations in the oceanographic circulation pattern in the Eurasian Basin during the Late Quaternary. Carbonate content (1-9wt.%), productivity of foraminifers (high in interglacial, low in glacial stages) and the terrigenous components are in good correlation with glacial and inter-glacial climatic fluctuations

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

Directory of Open Access Journals (Sweden)

Ali B.

2017-06-01

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

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

Science.gov (United States)

2016-12-08

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

Absolute age determination of quaternary faults

International Nuclear Information System (INIS)

Cheong, Chang Sik; Lee, Seok Hoon; Choi, Man Sik

2000-03-01

To constrain the age of neotectonic fault movement, Rb-Sr, K-Ar, U-series disequilibrium, C-14 and Be-10 methods were applied to the fault gouges, fracture infillings and sediments from the Malbang, Ipsil, Wonwonsa faults faults in the Ulsan fault zone, Yangsan fault in the Yeongdeog area and southeastern coastal area. Rb-Sr and K-Ar data imply that the fault movement of the Ulan fault zone initiated at around 30 Ma and preliminary dating result for the Yang san fault is around 70 Ma in the Yeongdeog area. K-Ar and U-series disequilibrium dating results for fracture infillings in the Ipsil fault are consistent with reported ESR ages. Radiocarbon ages of quaternary sediments from the Jeongjari area are discordant with stratigraphic sequence. Carbon isotope data indicate a difference of sedimentry environment for those samples. Be-10 dating results for the Suryum fault area are consistent with reported OSL results

Absolute age determination of quaternary faults

Energy Technology Data Exchange (ETDEWEB)

Cheong, Chang Sik; Lee, Seok Hoon; Choi, Man Sik [Korea Basic Science Institute, Seoul (Korea, Republic of)] (and others)

2000-03-15

To constrain the age of neotectonic fault movement, Rb-Sr, K-Ar, U-series disequilibrium, C-14 and Be-10 methods were applied to the fault gouges, fracture infillings and sediments from the Malbang, Ipsil, Wonwonsa faults faults in the Ulsan fault zone, Yangsan fault in the Yeongdeog area and southeastern coastal area. Rb-Sr and K-Ar data imply that the fault movement of the Ulan fault zone initiated at around 30 Ma and preliminary dating result for the Yang san fault is around 70 Ma in the Yeongdeog area. K-Ar and U-series disequilibrium dating results for fracture infillings in the Ipsil fault are consistent with reported ESR ages. Radiocarbon ages of quaternary sediments from the Jeongjari area are discordant with stratigraphic sequence. Carbon isotope data indicate a difference of sedimentry environment for those samples. Be-10 dating results for the Suryum fault area are consistent with reported OSL results.

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

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

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

Electrochemical properties of quaternary ammonium salts for electrochemical capacitors

Energy Technology Data Exchange (ETDEWEB)

Ue, Makoto; Takeda, Masayuki; Takehara, Masahiro; Mori, Shoichiro [Mitsubishi Chemical Corp., Inashiki, Ibaraki (Japan). Tsukuba Research Center

1997-08-01

The limiting reduction and oxidation potentials and electrolytic conductivities of new quaternary ammonium salts were examined for electrochemical capacitor applications, whose anions have already been tested as lithium salts for lithium battery applications. The anodic stability was in the following order BR{sub 4}{sup {minus}} < ClO{sub 4}{sup {minus}} {le} CF{sub 3}SO{sub 3}{sup {minus}} < (CF{sub 3}SO{sub 2}){sub 2}N{sup {minus}} {le} C{sub 4}F{sub 9}SO{sub 3}{sup {minus}} < BF{sub 4}{sup {minus}} < PF{sub 6}{sup {minus}} {le} AsF{sub 6}{sup {minus}} < SbF{sub 6}{sup {minus}}. The electrolytic conductivities of Me{sub 4{minus}n}Et{sub n}N(CF{sub 3}SO{sub 2}){sub 2}N (n = 0--4) were examined in comparison with Me{sub 4{minus}n}Et{sub n}NBF{sub 4} counterparts. These imide salts showed good solubility, relatively high conductivity, and anodic stability in propylene carbonate. Et{sub 4}N(CF{sub 3}SO{sub 2}){sub 2}N was found to be a good supporting salt for low permittivity organic solvents, and it afforded a highly conductive electrolyte system based on the ethylene carbonate-dimethyl carbonate mixed solvent, which is useful for electrochemical capacitor applications.

Spectroscopic markers of the TR quaternary transition in human hemoglobin.

Science.gov (United States)

Schirò, Giorgio; Cammarata, Marco; Levantino, Matteo; Cupane, Antonio

2005-04-01

In this work, we use a sol-gel protocol to trap and compare the R and T quaternary states of both the deoxygenated (deoxyHb) and carbonmonoxide (HbCO) derivatives of human hemoglobin. The near infrared optical absorption band III and the infrared CO stretching band are used to detect the effect of quaternary structure on the spectral properties of deoxyHb and HbCO; comparison with myoglobin allows for an assessment of tertiary and quaternary contributions to the measured band shifts. The RT transition is shown to cause a blue shift of the band III by approximately 35 cm(-1) for deoxyHb and a red shift of the CO stretching band by only approximately 0.3 cm(-1) for HbCO. This clearly shows that quaternary structure changes are transmitted to the heme pocket and that effects on deoxyHb are much larger than on HbCO, at least as far as the band energies are concerned. Experiments performed in the ample temperature interval of 300-10K show that the above quaternary structure effects are "static" and do not influence the dynamic properties of the heme pocket, at least as probed by the temperature dependence of band III and of the CO stretching band. The availability of quaternary structure sensitive spectroscopic markers and the quantitative measurement of the quaternary structure contribution to band shifts will be of considerable help in the analysis of flash-photolysis experiments on hemoglobin. Moreover, it will enable one to characterize the dynamic properties of functionally relevant hemoglobin intermediates and to study the kinetics of both the T-->R and R-->T quaternary transitions through time-resolved spectroscopy.

Quaternary sediments in Rybalsryi quarry of Dnipropetrovsk

Directory of Open Access Journals (Sweden)

Manyuk V.V.

2014-12-01

Full Text Available The results of a study of the typical section of Quaternary sediments in the Rybalske quarry and first time been reported to shift to the South boundary of the spread of the Dneprovian ice cover. Long-term observation of the geological structure subaerial and subaqueous deposits in Quaternary escarpment quarry clearly demonstrates the exceptional value, integrity, and at the same time, a certain exclusivity individual elements Quaternary section. Middle-upper Pleistocene section of substantially exceeds disclosed in Sazhovka draw, where the stratotype Kodatskiy fossil soil and elevated section of Quaternary sediments. If old Kodak can see only fragments section, an opened side by deep ravines and conditions of use cleared, the Rybalske quarry ledge submitted in one complete section alternation fossil soil horizons and loess - loess from the Dnieper to the modern black soil, and another ledge next to, well the rest of the section is exposed (from Tilihulske to Shyrokynske klimatolite. Established that among the many famous sections subaerial deposits located in the Middle Dnieper in the north-eastern part of the Dnieper-Donets basin, in the Black Sea and the Crimea and studied by the author in different years, and described loess and soil horizons (from the Black Sea to the Dnieper differ markedly lack of connectivity, flowability and friability. It is logical to assume that lithofacies conditions of the thicker subaerial deposits in the wellhead part Samara, where the Rybalske quarry markedly different from existing in these areas. Despite the obvious influence of the Dnieper glacier, direct signs which surround Dnipropetrovs’k north must be other reasons not yet explored. It is worth noting another important feature of the section of Quaternary sediments in fishing career. The above section is characteristic of the north-eastern part of the quarry, while the north, at higher marks of the watershed in the lower parts of thicker Quaternary

Pseudoimpactites in anthropocenically overprinted quaternary sediments

Science.gov (United States)

Huber, Robert; Darga, Robert; Lauterbach, Hans

2017-04-01

Whereas typical anthropogenic materials such as plastics can easily be identified in the anthropocene record, other materials such as building materials or industrial waste often closely resemble natural rocks or minerals. Especially transported and weathered anthropocenic matter is hard to distinguish from natural rocks. Whereas most rock samples may easily be distinguished by visual inspection, definite identification of exotic and small sized matter is not always an easy exercise which has been shown during the controversial discussion on the cosmic origin of carbon spherules found in Younger Dryas sediments. Similarly, a variety of exotic materials and lithological phenomena reported from quaternary sediments in Upper Bavaria have been associated to a cosmic impact in the area. Findings of carbonatic regmaglypts, glass coated and fragmented rocks, glassy carbon or pumice like carbon have been proposed to represent impact related rocks, an hypothesis which has further been supported by findings of iron silicides and the postulated detection of nanodiamonds and Carbine. Many of these findings have been strongly doubted within the geoscientific community, however a systematic, independent investigation of these phenomena has not yet been conducted. We present the results of our examinations which have been carried out to critically test the impact related origin of the mentioned strange materials and rocks. We could identify some key sites and independently collected samples of several of the materials and analysed these thoroughly. We found that the majority of these impact related materials is of anthropogenic or biogenic origin, thus they are pseudoimpactites partly originating from old fireplaces and waste pits. The claimed cosmic origin of this matter is an illusion caused by the anthropocene overprint of the original sedimentary record.

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.

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.

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.

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

Random quaternary ammonium Diels-Alder poly(phenylene) copolymers for improved vanadium redox flow batteries

Science.gov (United States)

Largier, Timothy D.; Cornelius, Chris J.

2017-06-01

This study analyzes the effect of quaternary ammonium homopolymer (AmPP) and ionic and non-ionic random unit copolymerization (AmPP-PP) of Diels-Alder poly(phenylene)s on electrochemical and transport properties, vanadium redox flow battery performance, and material stability. AmPP-PP materials were synthesized with IEC's up to 2.2 meq/g, displaying a carbonate form ion conductivity of 17.3 mS/cm and water uptake of 57.3%. Vanadium ion permeability studies revealed that the random copolymers possess superior charge carrier selectivity. For materials of comparable ion content, at 10 mA/cm2 the random copolymer displayed a 14% increase in coulombic efficiency (CE) corresponding to a 7% increase in energy efficiency. All quaternary ammonium materials displayed ex situ degradation in a 0.5 M V5+ + 5 M H2SO4 solution, with the rate of degradation appearing to increase with IEC. Preliminary studies reveal that the neutralizing counter-ion has a significant effect on VRB performance, proportional to changes in vanadium ion molecular diffusion.

Second Quaternary dating workshop

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-11-01

The second Quaternary dating methods workshop was held at Lucas Heights and sponsored by ANSTO and AINSE. Topics covered include, isotope and thermoluminescence dating, usage of accelerator and thermal ionisation mass spectrometry in environmental studies emphasizing on the methodologies used and sample preparation

Second Quaternary dating workshop

International Nuclear Information System (INIS)

1999-01-01

The second Quaternary dating methods workshop was held at Lucas Heights and sponsored by ANSTO and AINSE. Topics covered include, isotope and thermoluminescence dating, usage of accelerator and thermal ionisation mass spectrometry in environmental studies emphasizing on the methodologies used and sample preparation

Solubility of ammonium metavanadate in ammonium carbonate and sodium bicarbonate solutions at 25 deg C

International Nuclear Information System (INIS)

Fedorov, P.I.; Andreev, V.K.; Slotvinskij-Sidak, N.P.

1978-01-01

Solubility at 25 deg C has been studied in the system ammonium metavanadate - sodium bicarbonate - water which is a stable section of the corresponding quaternary mutual system. In the eutonic point the content of ammonium metavanadate is 4.95% and of sodium bicarbonate 12.1%. The crystallization branch of ammonium metavanadate has been studied in the system ammonium metavanadate - ammonium carbonate - water at 25 deg C. Metavanadate solubility attains minimum (0.14%) at ammonium carbonate concentration 2.6%. Three sections have been studied of the quaternary system ammonium - metavanadate - ammonium carbonate - sodium bicarbonate-water at 25 deg C in the crystallization region of ammonium metavanadate at a ratio of sodium bicarbonate to ammonium carbonate 3:1, 1:1, and 1:3. A region of minimum solubility of ammonium metavanadate has been detected (0.1%)

Determination of the amounts of C, CH, CH/sub 2/, and CH fragments by the spin echo method

Energy Technology Data Exchange (ETDEWEB)

Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

1984-01-01

A new method has been developed for the quantitative determination of the amounts of primary, secondary, tertiary, and quaternary carbon atoms in soluble products of coal origin which is based on pulsed sequence of /sup 13/C NMR spin echo.

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

KAUST Repository

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

2013-01-01

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

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

KAUST Repository

Kresse, T.

2013-09-01

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

Science.gov (United States)

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

2006-09-01

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

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

International Nuclear Information System (INIS)

Xue Kuanhong; Liu Jiamei; Wei Ribing; Chen Shaopeng

2006-01-01

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

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.

Absolute age determination of quaternary fault and formation

Energy Technology Data Exchange (ETDEWEB)

Cheong, Chang Sik; Lee, Kwang Sik; Choi, Man Sik [Korea Basic Science Institute, Seoul (Korea, Republic of)] (and others)

2002-04-15

The annual ('01-'01) objective of this project is to data the fault activity for the presumed quaternary fault zones to the western part of the Ulsam fault system and southeastern coastal area near the Wolseong Nuclear Power Plant. Rb-Sr, K-Ar, OSL, C-14 and U-series disequilibrium methods were applied to the fault rocks, organic matter and quaternary formations collected from the Pyeonghae, Bogyeongsa, Yugyeri, Byegkye, Gacheon-1 and Joil outcrops of the Yangsan fault system, the Baenaegol outcrop of the Moryang fault system, the Susyongji(Madong-2), Singye, Hwalseongri, Ipsil and Wonwonsa outcrops of the Ulsan fault system and from quaternary marine terraces (Oryoo and Kwangseong sites) in the southeastern coastal area. The experimental procedure of the OSL SAR protocol was reexamined to get more reliable dating results.

Sequential character of low-energy ternary and quaternary nuclear fission

Energy Technology Data Exchange (ETDEWEB)

Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Bulychev, A. O. [Voronezh State University (Russian Federation)

2016-09-15

An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collective deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.

Sequential character of low-energy ternary and quaternary nuclear fission

International Nuclear Information System (INIS)

Kadmensky, S. G.; Bulychev, A. O.

2016-01-01

An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collective deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.

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

The distribution of organic carbon fractions in a typical loess-paleosol profile and its paleoenvironmental significance

Directory of Open Access Journals (Sweden)

Qingqing Zhang

2018-04-01

Full Text Available Background The loess-paleosol sequence on the Loess Plateau has been considered an important paleoclimatic archive to study global climatic and environmental changes in the Quaternary. So far, little attention has been paid to the characteristics of soil organic carbon fractions in loess-paleosol sequences, which may provide valuable information for exploring the evolution of climate and environment in the Quaternary on the Loess Plateau. Methods In order to explore the significance of mineral-associated organic carbon to total organic carbon (MOC/TOC ratios in the loess-paleosol sequence for reconstructing paleoenvironmental and paleoclimatic evolution in the Quaternary on the Loess Plateau, we selected a typical loess-paleosol profile in Chunhua county, Xianyang city, Shaanxi province, as the research object. The content of total organic carbon (TOC and MOC/TOC ratio in each loess and paleosol layers of the Chunhua loess-paleosol profile were analyzed, together with the paleoclimatic proxies, such as soil grain size, CaCO3 content and their correlations with organic carbon parameters. Results The main results were as follows: (1 the total content of soil organic carbon and MOC/TOC ratios were generally higher in paleosol layers than in the underlying loess layers of the Chunhua loess-paleosol profile. Compared to total organic carbon content, MOC/TOC ratios changed more obviously in soil layers below a paleosol layer S8; (2 soil clay content and median grain size (Md (ϕ were higher in paleosol than in the underlying loess, while CaCO3 content showed an opposite tendency. In the Chunhua profile, the distribution characteristics of the three paleoclimatic proxies showed good indications of paleoclimate changes in the Quaternary; (3 in the Chunhua loess-paleosol profile, MOC/TOC ratios were positively correlated with clay content and median grain size (ϕ, while negatively correlated with CaCO3 content, and the correlations were more significant

The distribution of organic carbon fractions in a typical loess-paleosol profile and its paleoenvironmental significance

Science.gov (United States)

Hu, Feinan; Huo, Na; Shang, Yingni; Chang, Wenqian

2018-01-01

Background The loess-paleosol sequence on the Loess Plateau has been considered an important paleoclimatic archive to study global climatic and environmental changes in the Quaternary. So far, little attention has been paid to the characteristics of soil organic carbon fractions in loess-paleosol sequences, which may provide valuable information for exploring the evolution of climate and environment in the Quaternary on the Loess Plateau. Methods In order to explore the significance of mineral-associated organic carbon to total organic carbon (MOC/TOC) ratios in the loess-paleosol sequence for reconstructing paleoenvironmental and paleoclimatic evolution in the Quaternary on the Loess Plateau, we selected a typical loess-paleosol profile in Chunhua county, Xianyang city, Shaanxi province, as the research object. The content of total organic carbon (TOC) and MOC/TOC ratio in each loess and paleosol layers of the Chunhua loess-paleosol profile were analyzed, together with the paleoclimatic proxies, such as soil grain size, CaCO3 content and their correlations with organic carbon parameters. Results The main results were as follows: (1) the total content of soil organic carbon and MOC/TOC ratios were generally higher in paleosol layers than in the underlying loess layers of the Chunhua loess-paleosol profile. Compared to total organic carbon content, MOC/TOC ratios changed more obviously in soil layers below a paleosol layer S8; (2) soil clay content and median grain size (Md (ϕ)) were higher in paleosol than in the underlying loess, while CaCO3 content showed an opposite tendency. In the Chunhua profile, the distribution characteristics of the three paleoclimatic proxies showed good indications of paleoclimate changes in the Quaternary; (3) in the Chunhua loess-paleosol profile, MOC/TOC ratios were positively correlated with clay content and median grain size (ϕ), while negatively correlated with CaCO3 content, and the correlations were more significant in soil

Nitrogen Doped Ordered Mesoporous Carbon as Support of PtRu Nanoparticles for Methanol Electro-Oxidation

Directory of Open Access Journals (Sweden)

David Sebastián

2018-04-01

Full Text Available The low oxidation kinetics of alcohols and the need for expensive platinum group metals are still some of the main drawbacks for the commercialization of energy efficient direct alcohol fuel cells. In this work, we investigate the influence of nitrogen doping of ordered mesoporous carbon (CMK as support on the electrochemical activity of PtRu nanoparticles. Nitrogen doping procedures involve the utilization of pyrrole as both nitrogen and carbon precursor by means of a templating method using mesoporous silica. This method allows obtaining carbon supports with up to 14 wt. % nitrogen, with an effective introduction of pyridinic, pyrrolic and quaternary nitrogen. PtRu nanoparticles were deposited by sodium formate reduction method. The presence of nitrogen mainly influences the Pt:Ru atomic ratio at the near surface, passing from 50:50 on the bare (un-doped CMK to 70:30 for the N-doped CMK catalyst. The electroactivity towards the methanol oxidation reaction (MOR was evaluated in acid and alkaline electrolytes. The presence of nitrogen in the support favors a faster oxidation of methanol due to the enrichment of Pt at the near surface together with an increase of the intrinsic activity of PtRu nanoparticles.

Diatom records in the Quaternary marine sequences around the Japanese Islands

OpenAIRE

Koizumi, Itaru; Yamamoto, Hirofumi

2016-01-01

Understanding the Quaternary is a key to estimating what the Earth's climate will be like in the future. Such studies demand high-resolution analyses based on paleoclimatic proxy records of changing Earth's orbital forcing and solar insolation that affect the climate system. Quaternary diatom biostratigraphy and paleoceanography have been well established based on the Quaternary marine sequences obtained by piston coring and deep-sea drilling around the Japanese Islands. This paper firstly re...

Influence of branched quaternary ammonium surfactant molecules as levelers for copper electroplating from acidic sulfate bath

International Nuclear Information System (INIS)

Wang, An-yin; Chen, Biao; Fang, Lei; Yu, Jian-jun; Wang, Li-min

2013-01-01

A family of branched quaternary ammonium surfactants (compounds 1a–1c) with different carbon chains were synthesized for levelers applied in copper electroplating. Their inhibitory actions on copper electroplating were characterized by cyclic voltammetry (CV). Compound 1b, as representative structure type, was tested by means of different electrochemical methods including CV, polarization curve and electrochemical impedance spectroscopy (EIS) with different concentrations. The interaction between compound 1b and copper surface was investigated using atomic force microscope (AFM) and X-ray photoelectron spectra (XPS). The results indicated that our newly synthesized compounds, particular 1b, were effective levelers used for copper electroplating. Compound 1b could adsorb on copper surface to form an adsorption layer. The adsorption behavior of compound 1b on copper surface indicated that compound 1b could inhibit the copper electrodeposition, which provided favorable conditions used as a leveler. Moreover, the addition of compound 1b could increase the cathodic polarization, which was attributed to the adsorption of compound 1b during copper electroplating process. In addition, various surface morphologies and crystalline orientation of the plated copper films caused by different concentrations of compound 1b were characterized by scanning electron microscope (SEM) and X-ray diffraction (XRD) respectively. Effects of compound 1b on refining the grain size and changing the preferential orientation of the plated copper films were exhibited

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-04-01

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

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

International Nuclear Information System (INIS)

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

2017-01-01

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

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.

Selective detection of carbohydrates and their peptide conjugates by ESI-MS using synthetic quaternary ammonium salt derivatives of phenylboronic acids.

Science.gov (United States)

Kijewska, Monika; Kuc, Adam; Kluczyk, Alicja; Waliczek, Mateusz; Man-Kupisinska, Aleksandra; Lukasiewicz, Jolanta; Stefanowicz, Piotr; Szewczuk, Zbigniew

2014-06-01

We present new tags based on the derivatives of phenylboronic acid and apply them for the selective detection of sugars and peptide-sugar conjugates in mass spectrometry. We investigated the binding of phenylboronic acid and its quaternary ammonium salt (QAS) derivatives to carbohydrates and peptide-derived Amadori products by HR-MS and MS/MS experiments. The formation of complexes between sugar or sugar-peptide conjugates and synthetic tags was confirmed on the basis of the unique isotopic distribution resulting from the presence of boron atom. Moreover, incorporation of a quaternary ammonium salt dramatically improved the efficiency of ionization in mass spectrometry. It was found that the formation of a complex with phenylboronic acid stabilizes the sugar moiety in glycated peptides, resulting in simplification of the fragmentation pattern of peptide-derived Amadori products. The obtained results suggest that derivatization of phenylboronic acid as QAS is a promising method for sensitive ESI-MS detection of carbohydrates and their conjugates formed by non-enzymatic glycation or glycosylation.

Maltose-neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins

DEFF Research Database (Denmark)

Chae, Pil Seok; Rasmussen, Søren G F; Rana, Rohini R

2010-01-01

proteins remain difficult to study owing to a lack of suitable detergents. We introduce a class of amphiphiles, each built around a central quaternary carbon atom derived from neopentyl glycol, with hydrophilic groups derived from maltose. Representatives of this maltose-neopentyl glycol (MNG) amphiphile...

Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride

International Nuclear Information System (INIS)

Martinez, Jorge L.; Pink, Maren

2017-01-01

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

Electrochemical behavior of adrenaline at the carbon atom wire modified electrode

Energy Technology Data Exchange (ETDEWEB)

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

2006-09-11

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

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

Directory of Open Access Journals (Sweden)

Zhimin Li

2016-10-01

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

Atomic hydrogen cleaning of EUV multilayer optics

Science.gov (United States)

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

2003-06-01

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

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

Polydimethylsiloxane-polymethacrylate block copolymers tethering quaternary ammonium salt groups for antimicrobial coating

Energy Technology Data Exchange (ETDEWEB)

Qin, Xiaoshuai; Li, Yancai; Zhou, Fang; Ren, Lixia; Zhao, Yunhui, E-mail: zhaoyunhui@tju.edu.cn; Yuan, Xiaoyan

2015-02-15

Highlights: • A series of PDMS-b-QPDMAEMA block copolymers were synthesized via RAFT polymerization. • The composition and morphology of the copolymer films strongly depended on the content of QPDMAEMA. • Migration of QPDMAEMA blocks toward surface was promoted when contacting with water. • Heterogeneous film surfaces with higher N{sup +} content exhibited more obvious antimicrobial activity. - Abstract: Block copolymers PDMS-b-PDMAEMA were synthesized via reversible addition-fragmentation chain transfer (RAFT) polymerization involving N,N-dimethylaminoethyl methacrylate (DMAEMA) by using poly(dimethylsiloxane) (PDMS) macro-chain transfer agent. And, the tertiary amino groups in PDMAEMA were quaternized with n-octyliodide to provide quaternary ammonium salts (QPDMAEMA). The well-defined copolymers generated composition variation and morphology evolvement on film surfaces, which were characterized by X-ray photoelectron spectroscopy, atomic force microscopy, and contact angle measurements. The results indicated that the enrichment of QPDMAEMA brought about lower elemental ratios of Si/N on the film surfaces. The surface morphologies evolved with the variations of QPDMAEMA content, and the variation trend of film roughness was exactly opposite to that of water contact angle hysteresis. With regard to structure-antimicrobial relationships, the copolymer films had more evident antimicrobial activity against Gram-positive, Bacillus subtilis, and the surfaces with heterogeneous morphology and higher N{sup +} content presented better antimicrobial activity. The functionalized copolymers based PDMS and quaternary ammonium salts materials have the potential applications as antimicrobial coatings.

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.

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.

Geochemical evidence for the origin of late Quaternary loess in central Alaska

Science.gov (United States)

Muhs, D.R.; Budahn, J.R.

2006-01-01

Loess is extensive in central Alaska, but there are uncertainties about its source and the direction of paleo-winds that deposited it. Both northerly and southerly winds have been inferred. The most likely sources of loess are the Tanana River (south), the Nenana River (southeast), and the Yukon River (north). Late Quaternary loess in central Alaska has immobile trace-element compositions (Cr/Sc, Th/Ta, Th/ Sc, Th/U, Eu/Eu*, GdN/YbN) that indicate derivation mostly from the Tanana River. However, other ratios (As/Sb, Zr/Hf, LaN/YbN) and quantitative modeling indicate that the Yukon River was also a source. During the last glacial period, there may have been a longer residence time of the Siberian and Canadian high-pressure cells, along with a strengthened Aleutian low-pressure cell. This would have generated regional-scale northeasterly winds and explains derivation of loess from the Yukon River. However, superim-posed upon this synoptic-scale circulation, there may have been strong, southerly katabatic winds from expanded glaciers on the northern flank of the Alaska Range. These winds could have provided eolian silt from the Tanana River. Yukon River and Tanana River sediments are highly calcareous, whereas Fairbanks-area loess is not. This suggests that carbonate leaching in loess kept ahead of sedimentation and that late Quaternary loess in central Alaska was deposited relatively slowly. ?? 2006 NRC Canada.

Is Quaternary geology ready for the future?

Science.gov (United States)

Ritter, Dale F.

1996-07-01

Armed with a better understanding of process and an array of developing dating techniques, Quaternary geology is poised to achieve greater recognition in the general scientific community. This recognition however, will require some thought adjustment. Quaternary geologists will have to convince government, industry and a variety of scientific groups that they possess unique training and expertise that is needed as part of the thrust to fully understand and/or resolve major scientific problems. Therefore, future research and education efforts should not focus on developing a rigidly defined identity within geoscience, but instead should seek ways to be integrated with interdisciplinary teams that will investigate complex environmental and climate change problems. Such a scenaria creates and enermous dilemma for Quaternary geologists because they will derive greater intellectual stimulation from scientists working in discplines other than geology, and their scientific collaboratiors will most likely not be their academic colleagues. This outward expansion of our scientific network will require the development of interdsciplinary research collaboration and/or degree-granting programs at the graduate level. To accomplish such goals, universities must resist "turf protection", and funding agencies muts become more efficient at facilitating interdisciplinary research.

DNA Barcoding through Quaternary LDPC Codes.

Science.gov (United States)

Tapia, Elizabeth; Spetale, Flavio; Krsticevic, Flavia; Angelone, Laura; Bulacio, Pilar

2015-01-01

For many parallel applications of Next-Generation Sequencing (NGS) technologies short barcodes able to accurately multiplex a large number of samples are demanded. To address these competitive requirements, the use of error-correcting codes is advised. Current barcoding systems are mostly built from short random error-correcting codes, a feature that strongly limits their multiplexing accuracy and experimental scalability. To overcome these problems on sequencing systems impaired by mismatch errors, the alternative use of binary BCH and pseudo-quaternary Hamming codes has been proposed. However, these codes either fail to provide a fine-scale with regard to size of barcodes (BCH) or have intrinsic poor error correcting abilities (Hamming). Here, the design of barcodes from shortened binary BCH codes and quaternary Low Density Parity Check (LDPC) codes is introduced. Simulation results show that although accurate barcoding systems of high multiplexing capacity can be obtained with any of these codes, using quaternary LDPC codes may be particularly advantageous due to the lower rates of read losses and undetected sample misidentification errors. Even at mismatch error rates of 10(-2) per base, 24-nt LDPC barcodes can be used to multiplex roughly 2000 samples with a sample misidentification error rate in the order of 10(-9) at the expense of a rate of read losses just in the order of 10(-6).

DNA Barcoding through Quaternary LDPC Codes.

Directory of Open Access Journals (Sweden)

Elizabeth Tapia

Full Text Available For many parallel applications of Next-Generation Sequencing (NGS technologies short barcodes able to accurately multiplex a large number of samples are demanded. To address these competitive requirements, the use of error-correcting codes is advised. Current barcoding systems are mostly built from short random error-correcting codes, a feature that strongly limits their multiplexing accuracy and experimental scalability. To overcome these problems on sequencing systems impaired by mismatch errors, the alternative use of binary BCH and pseudo-quaternary Hamming codes has been proposed. However, these codes either fail to provide a fine-scale with regard to size of barcodes (BCH or have intrinsic poor error correcting abilities (Hamming. Here, the design of barcodes from shortened binary BCH codes and quaternary Low Density Parity Check (LDPC codes is introduced. Simulation results show that although accurate barcoding systems of high multiplexing capacity can be obtained with any of these codes, using quaternary LDPC codes may be particularly advantageous due to the lower rates of read losses and undetected sample misidentification errors. Even at mismatch error rates of 10(-2 per base, 24-nt LDPC barcodes can be used to multiplex roughly 2000 samples with a sample misidentification error rate in the order of 10(-9 at the expense of a rate of read losses just in the order of 10(-6.

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)

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

Science.gov (United States)

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

2017-08-23

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

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

Science.gov (United States)

Nishikawa, Osamu; Taniguchi, Masahiro

2017-04-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

Radio-labelled quaternary compounds and their diagnostic use

International Nuclear Information System (INIS)

Woo, D.V.

1984-01-01

Radio-labelled compounds having a lipophilic cation, which are quaternary ammonium, phosphonium or arsonium halides, in which the halide is a chloride, bromide or iodide, and in which the four quaternary substituents are independently selected from Csub(1-3) alkyl, phenyl and benzyl, at least two substituents being phenyl or benzyl, and one phenyl or benzyl substituent carrying a ring-substituent selected from 123 I, 125 I, 131 I, 77 Br, 82 Br and 18 F. Such compounds can be administered by injection, and a radio-image of the myocardium obtained. (author)

Metal-Organic-Framework-Mediated Nitrogen-Doped Carbon for CO2 Electrochemical Reduction

KAUST Repository

Wang, Riming; Sun, Xiaohui; Ould-Chikh, Samy; Osadchii, Dmitrii; Bai, Fan; Kapteijn, Freek; Gascon, Jorge

2018-01-01

A nitrogen-doped carbon was synthesized through the pyrolysis of the well-known metal-organic framework ZIF-8, followed by a subsequent acid treatment, and has been applied as a catalyst in the electrochemical reduction of carbon dioxide. The resulting electrode shows Faradaic efficiencies to carbon monoxide as high as ∼78%, with hydrogen being the only byproduct. The pyrolysis temperature determines the amount and the accessibility of N species in the carbon electrode, in which pyridinic-N and quaternary-N species play key roles in the selective formation of carbon monoxide.

Metal-Organic-Framework-Mediated Nitrogen-Doped Carbon for CO2 Electrochemical Reduction

KAUST Repository

Wang, Riming

2018-04-11

A nitrogen-doped carbon was synthesized through the pyrolysis of the well-known metal-organic framework ZIF-8, followed by a subsequent acid treatment, and has been applied as a catalyst in the electrochemical reduction of carbon dioxide. The resulting electrode shows Faradaic efficiencies to carbon monoxide as high as ∼78%, with hydrogen being the only byproduct. The pyrolysis temperature determines the amount and the accessibility of N species in the carbon electrode, in which pyridinic-N and quaternary-N species play key roles in the selective formation of carbon monoxide.

Stability of gold atoms and dimers adsorbed on graphene

International Nuclear Information System (INIS)

Varns, R; Strange, P

2008-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2003-04-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2003-04-01

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

Investigation of mineral composition of differently treated devonian, quaternary and triassic clays of Latvia

International Nuclear Information System (INIS)

Kosorukovs, A.; Viss, R.

1999-01-01

Clayey fractions (particle size less than 5 μm )of the Latvian Devonian (Kuprava and Liepa deposits), Quaternary (Laza and Ugale deposits) and Triassic (Akmene deposit, Republic of Lithuania) clays have been obtained. The clayey fractions were converted in the form in which all the cations were exchanged for magnesium ions. After the ion exchange the fractions were treated with dimethyl sulfoxide or glycerol in the course for two days, one sample being subjected to thermal treatment at 550±110 C for two hours. Diffractograms for the treated samples have been obtained using a DRON-2,0 diffractometer (Co-radiation). Analysis of the obtained diffractograms show that: 1) the main clayey minerals of the Devonian clays occur to be hydromicas (mainly hydromuscovite) containing admixtures of kaolinite and quartz; 2) the main clayey minerals of the Quarternary clays also occur to be hydromicas - mixtures of hydrobiotite and hydromuscovite containing admixtures of kaolinite and iron-containing chlorite; 3) smectite occurs to be the main mineral of the Triassic clay; it contains admixtures of hydromica and chlorite; 4) the Triassic and Quaternary clays contain fine- and coarse-grained carbonates, mainly calcite, in quantities of 10-16%; 5) iron and titanium are included in fine grained minerals. (author)

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.

Quaternary ammonium as vector of radioisotopes toward cartilage proteoglycans: in vivo imaging and monitoring of chondrosarcoma

International Nuclear Information System (INIS)

Peyrode, C.; Weber, V.; Vidal, A.; Auzeloux, P.; Besse, S.; Chezal, J.M.; Miot-Noirault, E.; Dauplat, M.M.; Gouin, F.; Redini, F.

2013-01-01

The full text of the publication follows. AIM: Our strategy consists in using the quaternary ammonium function, that exhibits a high affinity for proteoglycans, as a selective carrier to cartilage of (i) drugs for improving the selectivity or (ii) radioisotopes for imaging and evaluating response to treatment. For diagnosis, a radiotracer radiolabeled with 99m Tc ( 99m Tc-NTP 15-5) was selected and for therapeutic application, a quaternary ammonium derivative of melphalan (Mel-AQ) was synthesized. This study demonstrates the interest of this strategy for the diagnosis and treatment of chondrosarcoma. Methods: 99m Tc-NTP 15-5 imaging was performed at regular intervals in rats bearing ortho-topic swarm chondrosarcoma, controls or treated (Mel-AQ: three intravenous doses of 10 mg/kg). 99m Tc-HMDP imaging (the only radiotracer available for nuclear medicine diagnosis of chondrosarcoma) was also performed. Results: All rats exhibited a significant tumoral uptake of 99m Tc-NTP 15-5 at very early stage of pathology while no palpable nor measurable tumour could be assessed. Furthermore, tumoral uptake increased as pathology progressed over time. When animals were treated with Mel-AQ, a significant tumor growth inhibition was observed with 99m Tc-NTP 15-5 tumoral uptake being significantly decreased as compared to controls. 99m Tc-HMDP bone scans were negative during the whole study. Conclusion: These experimental results underline (i) the potential of the proteoglycan targeting strategy for the early and specific diagnosis imaging of chondrosarcoma and its response to therapy and (ii) the efficiency of the targeted anti-tumoral therapy. In future, we could plan to substitute technetium atom for copper atom for radionuclide therapy application. Grants: INCa, CPER, Ligue contre le cancer, FRI/OSEO. (authors)

Minimal erosion of Arctic alpine topography during late Quaternary glaciation

Science.gov (United States)

Gjermundsen, Endre F.; Briner, Jason P.; Akçar, Naki; Foros, Jørn; Kubik, Peter W.; Salvigsen, Otto; Hormes, Anne

2015-10-01

The alpine topography observed in many mountainous regions is thought to have formed during repeated glaciations of the Quaternary period. Before this time, landscapes had much less relief. However, the spatial patterns and rates of Quaternary exhumation at high latitudes--where cold-based glaciers may protect rather than erode landscapes--are not fully quantified. Here we determine the exposure and burial histories of rock samples from eight summits of steep alpine peaks in northwestern Svalbard (79.5° N) using analyses of 10Be and 26Al concentrations. We find that the summits have been preserved for at least the past one million years. The antiquity of Svalbard’s alpine landscape is supported by the preservation of sediments older than one million years along a fjord valley, which suggests that both mountain summits and low-elevation landscapes experienced very low erosion rates over the past million years. Our findings support the establishment of northwestern Svalbard’s alpine topography during the early Quaternary. We suggest that, as the Quaternary ice age progressed, glacial erosion in the Arctic became inefficient and confined to ice streams, and high-relief alpine landscapes were preserved by minimally erosive glacier armour.

The ichthyofauna of limnic systems in Quaternary deposits of extreme southern Brazil

Directory of Open Access Journals (Sweden)

Cindy Marques

2016-12-01

Full Text Available The Quaternary in the state of Rio Grande do Sul (RS, southern Brazil, is geologically represented by the coastal plain and was originated by successive events of Pleistocene-Holocene marine transgressions and the occurrence of alluvial deposits. This paper aimed to characterize the fish assemblage occurring in a swampy Quaternary area adjacent to Lagoa Pequena, a lacustrine system connected to the west margin of the Laguna dos Patos estuary. A checklist is also provided of the ichthyofauna so far recorded in limnic systems of Quaternary deposits in the state of Rio Grande do Sul. A total of 42 species was recorded, distributed in nine orders, 18 families and 31 genera. Characidae and Cichlidae were the most representative families, comprising 15 and 4 species respectively. A bibliographic revision associated to our sample data revealed the occurrence of 156 species in limnic systems inserted in RS Quaternary deposits (114 limnic, 15 marine/estuarine/limnic, ten marine/estuarine, nine estuarine/limnic and eight marine. Characiformes and Siluriformes are the most diverse orders, corroborating the Neotropical pattern. Seven species can be considered endemic to RS Quaternary deposits.

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.

Electrochemical oxidation of quaternary ammonium electrolytes : Unexpected side reactions in organic electrochemistry

NARCIS (Netherlands)

Nouri Nigjeh, Eslam; de Vries, Marcel; Bruins, Andries P.; Bischoff, Rainer; Permentier, Hjalmar P.

Quaternary ammonium salts are among the most widely used electrolytes in organic electrochemistry, but there is little known about their unwanted side oxidation reactions. We have, therefore, studied the constant potential oxidation products of quaternary ammonium electrolytes using mass

Synthesis of enantioenriched γ-quaternary cycloheptenones using a combined allylic alkylation/Stork–Danheiser approach: preparation of mono-, bi-, and tricyclic systems

KAUST Repository

Bennett, Nathan B.; Hong, Allen Y.; Harned, Andrew M.; Stoltz, Brian M.

2012-01-01

A general method for the synthesis of β-substituted and unsubstituted cycloheptenones bearing enantioenriched all-carbon γ-quaternary stereocenters is reported. Hydride or organometallic addition to a seven-membered ring vinylogous ester followed by finely tuned quenching parameters achieves elimination to the corresponding cycloheptenone. The resulting enones are elaborated to bi- and tricyclic compounds with potential for the preparation of non-natural analogs and whose structures are embedded in a number of cycloheptanoid natural products.

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.)

Quaternary ammonium salts with tetrafluoroborate anion: Phytotoxicity and oxidative stress in terrestrial plants

Energy Technology Data Exchange (ETDEWEB)

Biczak, Robert, E-mail: r.biczak@ajd.czest.pl

2016-03-05

Highlights: • The level of oxidative stress in mono- and dicotyledonous plants was comparable. • Chlorophyll content in the plants was correlated with QAS concentration in the soil. • POD activity increased in plants cultivated in soil with high QAS content. - Abstract: This paper discusses the impact of four quaternary ammonium salts (QAS) such as tetraethylammonium tetrafluoroborate [TEA][BF{sub 4}], tetrabutylammonium tetrafluoroborate [TBA][BF{sub 4}], tetrahexylammonium tetrafluoroborate [THA][BF{sub 4}], and tetraoctylammonium tetrafluoroborate [TOA][BF{sub 4}] on the growth and development of spring barley and common radish. Analogous tests were performed with the inorganic salt ammonium tetrafluoroborate [A][BF{sub 4}] for comparison purposes. Results indicated that the phytotoxicity of the QAS applied is dependent on the concentration of the substance and their number of carbon atoms. The most toxic compound was [TBA][BF{sub 4}], causing the greatest drop in fresh weight of both study plants, similar to the phytotoxic effects of [A][BF{sub 4}]. All the tested compounds caused oxidative stress in spring barley and common radish seedlings due to a drop in the chlorophyll content. Stress was also observed in plants, which was indicated by the increased level of ROS (reactive oxygen species) such as H{sub 2}O{sub 2} and lipid peroxidation of MDA (malondialdehyde). Due to the stress, both plants displayed changes in the activity of antioxidative enzymes such as superoxide dismutase (SOD), catalase (CAT) and peroxidase (POD). Based on the results of the study, it was concluded that changes in chlorophyll levels and peroxidase activity are the best biomarkers to determine oxidative stress in plants.

Quaternary naltrexone reverses radiogenic and morphine-induced locomotor hyperactivity

Energy Technology Data Exchange (ETDEWEB)

Mickley, G.A.; Stevens, K.E.; Galbraith, J.A.; White, G.A.; Gibbs, G.L.

1984-04-01

The present study attempted to determine the relative role of the peripheral and central nervous system in the production of morphine-induced or radiation-induced locomotor hyperactivity of the mouse. Toward this end, we used a quaternary derivative of an opiate antagonist (naltrexone methobromide), which presumably does not cross the blood-brain barrier. Quaternary naltrexone was used to challenge the stereotypic locomotor response observed in these mice after either an i.p. injection of morphine or exposure to 1500 rads /sup 60/Co. The quaternary derivative of naltrexone reversed the locomotor hyperactivity normally observed in the C57BL/6J mouse after an injection of morphine. It also significantly attenuated radiation-induced locomotion. The data reported here support the hypothesis of endorphin involvement in radiation-induced and radiogenic behaviors. However, these conclusions are contingent upon further research which more fully evaluates naltrexone methobromide's capacity to cross the blood-brain barrier.

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

The Plio-Quaternary Magdalena Turbidite System

OpenAIRE

Estrada, Ferran; Alonso, Belén; Ercilla, Gemma

2011-01-01

2006. Estrada F., Alonso B., Ercilla G. The Plio-Quaternary Magdalena Turbidite System. SEPM/Geological Society of London conference “External Controls on Deepwater Depositional Systems”, to be held at the Geological Society in Piccadilly, London, March 27th to 29th.

Sedimentology of polar carbonate systems

Science.gov (United States)

Frank, T. D.; James, N. P.

2013-12-01

The key attributes, processes, and products associated with carbonate accumulation and diagenesis at tropical and temperate latitudes are well known. Comparatively little work has concentrated on carbonate deposition at the coldest end of the depositional spectrum, the polar shelves. Such deposits are not abundant, but they have the potential to provide unique insights into paleoceanographic and paleoclimatic conditions in regions of the planet that are arguably the most sensitive to global change. We examined skeletal assemblages, facies, stratigraphy, petrography, geochemistry, and diagenesis of Quaternary deposits from the Ross Sea, Antarctica and Permian counterparts from Gondwana (now eastern Australia). These modern and ancient polar carbonate factories possess several unique characteristics that set them apart from better-known systems of the temperate and tropical latitudes. All production is biogenic and there are no significant calcareous phototrophs. Carbonate communities are not capable of building rigid frameworks, and thus their deposits are prone to winnowing and reworking by waves and bottom currents. The seawater, although frigid, is isothermal, and thus deep-water benthic communities can exist near the surface. Carbonate saturation, which is at or below solubility for both aragonite and high-Mg calcite, plays a key role in determining the dominant mineralogy of benthos as well as the preservation potential of skeletal debris. As many taxa precipitate low-Mg calcite in isotopic equilibrium, deposits have potential to provide geochemical proxy information for use in paleoceanographic and paleoclimatic reconstructions. More than any other type of carbonate system, the slow biogenic carbonate production and accumulation in cold waters is achieved firstly by arresting siliciclastic sedimentation and secondly by increasing nutrient availability. Thus, carbonate deposition may occur during the coldest of times, such as during glacial advance when

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

International Nuclear Information System (INIS)

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

2001-01-01

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

Radiation damage in carbon-carbon composites

International Nuclear Information System (INIS)

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

1992-01-01

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

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.

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.

Monolayer atomic crystal molecular superlattices

Science.gov (United States)

Wang, Chen; He, Qiyuan; Halim, Udayabagya; Liu, Yuanyue; Zhu, Enbo; Lin, Zhaoyang; Xiao, Hai; Duan, Xidong; Feng, Ziying; Cheng, Rui; Weiss, Nathan O.; Ye, Guojun; Huang, Yun-Chiao; Wu, Hao; Cheng, Hung-Chieh; Shakir, Imran; Liao, Lei; Chen, Xianhui; Goddard, William A., III; Huang, Yu; Duan, Xiangfeng

2018-03-01

Artificial superlattices, based on van der Waals heterostructures of two-dimensional atomic crystals such as graphene or molybdenum disulfide, offer technological opportunities beyond the reach of existing materials. Typical strategies for creating such artificial superlattices rely on arduous layer-by-layer exfoliation and restacking, with limited yield and reproducibility. The bottom-up approach of using chemical-vapour deposition produces high-quality heterostructures but becomes increasingly difficult for high-order superlattices. The intercalation of selected two-dimensional atomic crystals with alkali metal ions offers an alternative way to superlattice structures, but these usually have poor stability and seriously altered electronic properties. Here we report an electrochemical molecular intercalation approach to a new class of stable superlattices in which monolayer atomic crystals alternate with molecular layers. Using black phosphorus as a model system, we show that intercalation with cetyl-trimethylammonium bromide produces monolayer phosphorene molecular superlattices in which the interlayer distance is more than double that in black phosphorus, effectively isolating the phosphorene monolayers. Electrical transport studies of transistors fabricated from the monolayer phosphorene molecular superlattice show an on/off current ratio exceeding 107, along with excellent mobility and superior stability. We further show that several different two-dimensional atomic crystals, such as molybdenum disulfide and tungsten diselenide, can be intercalated with quaternary ammonium molecules of varying sizes and symmetries to produce a broad class of superlattices with tailored molecular structures, interlayer distances, phase compositions, electronic and optical properties. These studies define a versatile material platform for fundamental studies and potential technological applications.

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.

Characterization of liquid products from the co-cracking of ternary and quaternary mixture of petroleum vacuum residue, polypropylene, Samla coal and Calotropis Procera

Energy Technology Data Exchange (ETDEWEB)

M. Ahmaruzzaman; D.K. Sharma [Indian Institute of Technology Delhi, New Delhi (India). Centre for Energy Studies

2008-08-15

The co-cracking of the petroleum vacuum residue (XVR) with polypropylene (PP), Samla coal (SC) and Calotropis procera (CL) has been carried out in a batch reactor under isothermal conditions at atmospheric pressure. The liquids obtained by co-cracking have been characterized by Fourier transform infrared spectroscopy, high performance liquid chromatography, {sup 1}H nuclear magnetic resonance (NMR), {sup 13}C NMR, gel permeation chromatography (GPC), and inductively coupled argon plasma analyses. It was found that the liquid products obtained from the co-cracking of ternary and quaternary mixtures of the petroleum vacuum residue with polypropylene, coal and C. procera contained less than 1 ppm of Ni and V. The HPLC analyses indicates that the liquids obtained from the cracking of ternary mixture of XVR+PP+CL were mainly aliphatic in nature (saturates content 87.4%). NMR analyses showed that the aromatic carbon contents decreased (15.0%) in the liquid products derived from the co-cracking of quaternary mixtures of XVR+PP+SC+CL compared to their theoretical averages (taking the averages of aromatic carbon contents of the liquids from XVR, PP, SC and CL individually). The overall results indicated that there exists a definite interaction of reactive species when XVR, PP, SC and CL were co-cracked together. 27 refs., 5 tabs.

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

Quaternary Alkylammonium Conjugates of Steroids: Synthesis, Molecular Structure, and Biological Studies

Directory of Open Access Journals (Sweden)

Bogumił Brycki

2015-11-01

Full Text Available The methods of synthesis as well as physical, spectroscopic (1H-NMR, 13C-NMR, and FT-IR, ESI-MS, and biological properties of quaternary and dimeric quaternary alkylammonium conjugates of steroids are presented. The results were contrasted with theoretical calculations (PM5 methods and potential pharmacological properties (PASS. Alkylammonium sterols exhibit a broad spectrum of antimicrobial activity comparable to squalamine.

Palladium-Catalyzed Asymmetric Quaternary Stereocenter Formation

NARCIS (Netherlands)

Gottumukkala, Aditya L.; Matcha, Kiran; Lutz, Martin; de Vries, Johannes G.; Minnaard, Adriaan J.

2012-01-01

An efficient palladium catalyst is presented for the formation of benzylic quaternary stereocenters by conjugate addition of arylboronic acids to a variety of beta,beta-disubstituted carbocyclic, heterocyclic, and acyclic enones. The catalyst is readily prepared from PdCl2, PhBOX, and AgSbF6, and

Palladium-catalyzed asymmetric quaternary stereocenter formation

NARCIS (Netherlands)

Gottumukkala, A.L.; Matcha, K.; Lutz, M.; de Vries, J.G.; Minnaard, A.J.

2012-01-01

An efficient palladium catalyst is presented for the formation of benzylic quaternary stereocenters by conjugate addition of arylboronic acids to a variety of β,β-disubstituted carbocyclic, heterocyclic, and acyclic enones. The catalyst is readily prepared from PdCl2, PhBOX, and AgSbF6, and provides

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

Quaternary ground siting technology of nuclear power plants

International Nuclear Information System (INIS)

Nishi, K.; Kokusho, T.; Iwatate, Y.; Ishida, K.; Honsho, S.; Okamoto, T.; Tohma, J.; Tanaka, Y.; Kanatani, M.

1992-01-01

A seismic stability evaluation method for a nuclear power plant to be located on Quaternary sandy/gravelly ground is discussed herein in terms of a geological and geotechnical survey, a design earthquake motion evaluation and geotechnical seismic stability analyses. The geological and geotechnical exploration tunnel in the rock foundation siting will be difficult in the Quaternary ground siting. Boring, geophysical surveys and soil sampling will play a major role in this case. A design earthquake input spectrum for this siting is proposed to take in account the significant effect of longer period motion on ground stability. Equivalent and non-linear analyses demonstrate the seismic stability of the foundation ground so long as the soil density is high. (author)

Solvent-Free Synthesis of Quaternary Metal Sulfide Nanoparticles Derived from Thiourea

KAUST Repository

Bhunia, Manas Kumar

2017-08-09

The synthesis of metal sulfide (MS) materials with sizes in the sub-10 nm regime often requires capping agents with long hydrocarbon chains that affect their structures and properties. Herein, this study presents a molten-state synthesis method for a series of transition-MS nanoparticles using thiourea as a reactive precursor without capping agents. This study also reports the synthesis of MS with single metals (Fe, Co, Ni, Cu, and Zn) and quaternary CuGa2In3S8 using the same synthesis protocol. Thiourea first melts to form a molten-state condition to serve as the reaction medium at a relatively low temperature (<200 °C), followed by its thermal decomposition to induce a reaction with the metal precursor to form different MS. This synthesis protocol, owing to its dynamic characteristics, involves the formation of a variety of organic carbon nitride polymeric complexes around the MS particles. Dynamic nuclear polarization surface-enhanced nuclear magnetic resonance spectroscopy is effective to identify the polymeric compositions and structures as well as their interactions with the MS. These results provided thorough structural descriptions of the MS nanoparticles surrounded by the carbon nitride species derived from thiourea, which may find various applications, including photocatalytic water splitting.

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-07-01

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

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

International Nuclear Information System (INIS)

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

2017-01-01

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

Ecological impacts of the late Quaternary megaherbivore extinctions.

Science.gov (United States)

Gill, Jacquelyn L

2014-03-01

As a result of the late Quaternary megafaunal extinctions (50,000-10,000 before present (BP)), most continents today are depauperate of megaherbivores. These extinctions were time-transgressive, size- and taxonomically selective, and were caused by climate change, human hunting, or both. The surviving megaherbivores often act as ecological keystones, which was likely true in the past. In spite of this and extensive research on the causes of the Late Quaternary Extinctions, the long-term ecological consequences of the loss of the Pleistocene megafauna remained unknown until recently, due to difficulties in linking changes in flora and fauna in paleorecords. The quantification of Sporormiella and other dung fungi have recently allowed for explicit tests of the ecological consequences of megafaunal extirpations in the fossil pollen record. In this paper, I review the impacts of the loss of keystone megaherbivores on vegetation in several paleorecords. A growing number of studies support the hypothesis that the loss of the Pleistocene megafauna resulted in cascading effects on plant community composition, vegetation structure and ecosystem function, including increased fire activity, novel communities and shifts in biomes. Holocene biota thus exist outside the broader evolutionary context of the Cenozoic, and the Late Quaternary Extinctions represent a regime shift for surviving plant and animal species.

Methane hydrates in quaternary climate change

International Nuclear Information System (INIS)

Kennett, J. P.; Hill, T. M.; Behl, R. J.

2005-01-01

The hydrate reservoir in marine sediments is known to contain a large volume of exchangeable carbon stored as solid methane hydrate and associated free gas. This reservoir has been shown to be potentially unstable in response to changing intermediate water temperature and sea level (pressure). Evidence continues to grow for past episodes of major methane release at times of climatic warming. Yet few studies of late Quaternary climate change include methane hydrates as an integral part of the global climate system, in spite of the largest known oscillations at this time in sea level and upper ocean temperature changes for the Cenozoic or earlier, conditions that favor instability of the methane hydrate reservoir. Abrupt increases in atmospheric methane recorded in polar ice cores are widely believed to have resulted, not from ocean-floor methane degassing, but instead from continental wetland activation, a hypothesis thus far unsupported by geological data. Furthermore, as part of this Wetland Methane Hypothesis, the abrupt methane increases have been seen as a response to climatic warming rather than contributing significantly to the change. An alternative view (formulated as the Clathrate Gun Hypothesis) is that the speed, magnitude and timing of abrupt climate change in the recent geologic past are consistent with the process of major degassing of methane hydrates. We summarize aspects of this hypothesis here and needs to test this hypothesis. (Author)

Poly(3,4-ethylenedioxythiophene)-Poly(styrenesulfonate) Interlayer Insertion Enables Organic Quaternary Memory.

Science.gov (United States)

Cheng, Xue-Feng; Hou, Xiang; Qian, Wen-Hu; He, Jing-Hui; Xu, Qing-Feng; Li, Hua; Li, Na-Jun; Chen, Dong-Yun; Lu, Jian-Mei

2017-08-23

Herein, for the first time, quaternary resistive memory based on an organic molecule is achieved via surface engineering. A layer of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) was inserted between the indium tin oxide (ITO) electrode and the organic layer (squaraine, SA-Bu) to form an ITO/PEDOT-PSS/SA-Bu/Al architecture. The modified resistive random-access memory (RRAM) devices achieve quaternary memory switching with the highest yield (∼41%) to date. Surface morphology, crystallinity, and mosaicity of the deposited organic grains are greatly improved after insertion of a PEDOT-PSS interlayer, which provides better contacts at the grain boundaries as well as the electrode/active layer interface. The PEDOT-PSS interlayer also reduces the hole injection barrier from the electrode to the active layer. Thus, the threshold voltage of each switching is greatly reduced, allowing for more quaternary switching in a certain voltage window. Our results provide a simple yet powerful strategy as an alternative to molecular design to achieve organic quaternary resistive memory.

Synthesis and in vitro toxicity of new dodecaborate-containing amino acids

International Nuclear Information System (INIS)

Slepukhina, Irina; Gabel, Detlef

2006-01-01

Two unnatural, boron-containing amino acids were synthesized by alkylation of S-(2-cyanoethyl)-thio-undecahydro-closo-dodecaborate(2-). S-(2-amino-2-carboxylpropyl)-thio-undecahydro-closo-dodecaborate (2-), containing a quaternary carbon atom, and O-(5-amino-5-carboxylpentyl)-oxy-undecahydro-closo-dodecaborate(2-) were evaluated for in vitro toxicity using V 79 Chinese hamster cells. (author)

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

International Nuclear Information System (INIS)

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

2015-01-01

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

Site specific atomic polarizabilities in endohedral fullerenes and carbon onions

Science.gov (United States)

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

2015-08-01

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

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.

Ab initio investigation of the structural and electronic properties of the MgFBrxCl1-x quaternary alloy

Science.gov (United States)

Mokhtari, Ali; Alidoosti, Mohammad

2014-11-01

In the present work, we have performed first principles calculations to study the structural and electronic properties of the MgFBrxCl1-x quaternary alloys using the pseudo-potential plane wave approach within the framework of density functional theory. By using the optimized initial parameters, we have obtained the physical quantities such as equilibrium lattice constants a and c, cohesive energy and band gap and then fitted the results by a quadratic expression for all x compositions. The results of bulk modulus exhibit nearly linear concentration dependence (LCD) but other quantities show nonlinear dependence. Finally, we have calculated the total and angular momentum decomposed (partial) density of states and determined the contributions of different orbitals of each atoms.

Synthesis and antibacterial activity screening of quaternary ...

Indian Academy of Sciences (India)

A series of quaternary ammonium derivatives of triazolyl pyranochromen-2-ones have been synthesized and characterized; their antibacterial potential were investigated against two gram negative (Pseudomonas aeruginosa and Escherichia coli) and two gram positive bacterial strains (Bacillus cereus and Staphylococcus ...

Uranium-series dating of pedogenic carbonates from the Livermore Valley, California

International Nuclear Information System (INIS)

Knauss, K.G.

1981-01-01

A uranium-series dating technique has been applied to pedogenic carbonates from the Livermore Valley in California. The results from geomorphologically distinct Quaternary alluvial units are internally consistent and for one alluvial unit are corroborated by a concordant 14 C age for an associated wood fragment. In appropriate situations, age dates for pedogenic carbonates derived using this technique may provide a time stratigraphy for alluvial units and hence provide some limits (minimum age) for last fault movement

Quaternary Pt{sub 2}Ru{sub 1}Fe{sub 1}M{sub 1}/C (M=Ni, Mo, or W) catalysts for methanol electro-oxidation reaction

Energy Technology Data Exchange (ETDEWEB)

Jeon, Min Ku; Lee, Ki Rak; Kang, Kweon Ho; Park, Geun Il [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Jeon, Hyung Joon [Kyoto University, Kyoto (Japan); McGinn, Paul J. [University of Notre Dame, Indiana (United States)

2015-02-15

Quaternary Pt{sub 2}Ru{sub 1}Fe{sub 1}M{sub 1}/C (M=Ni, Mo, or W) catalysts were investigated for the methanol electro-oxidation reaction (MOR). Electrocatalytic activities of the quaternary catalysts for CO electro-oxidation were studied via CO stripping experiments, and the Pt{sub 2}Ru{sub 1}Fe{sub 1}Ni{sub 1}/C and Pt{sub 2}Ru{sub 1}Fe{sub 1}W{sub 1}/C catalysts exhibited lowered on-set potential compared to that of a commercial PtRu/C catalyst. MOR activities of the quaternary catalysts were determined by linear sweep voltammetry (LSV) experiments, and the Pt{sub 2}Ru{sub 1}Fe{sub 1}W{sub 1}/C catalyst outperformed the commercial PtRu/C catalyst by 170 and 150% for the mass and specific activities, respectively. X-ray photoelectron spectroscopy (XPS) was employed to analyze surface oxidation states of constituent atoms, and it was identified that the structure of the synthesized catalysts are close to a nano-composite of Pt and constituent metal hydroxides and oxides. In addition, the XPS results suggested that the bi-functional mechanism accounts for the improved performance of the Pt{sub 2}Ru{sub 1}Fe{sub 1}Ni{sub 1}/C and Pt{sub 2}Ru{sub 1} Fe{sub 1}W{sub 1}/C catalysts.

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)

Evaluation of quaternary aquifer between qena and luxur. (Nile Valley, Egypt)

OpenAIRE

Mohamaden, Mahmoud Ismail Ismail [محمود اسماعيل اسماعيل محمدين

2001-01-01

In order to evaluate the hydrogeological setting of the Quaternary aquifer and the related geological structures controlling its characteristics. A total of 50 vertical electrical soundings (VES.s) were conducted along 13 profiles covering the area between Qena and Luxur. As revealed from the present study, the Quaternary section in the area is subdivided into four main geoelectrical zones distributed irregularly in the study area: Zone (A) with very high electrical resistivity values rang...

The Gediz River fluvial archive : A benchmark for Quaternary research in Western Anatolia

NARCIS (Netherlands)

Maddy, D.; Veldkamp, A.; Demir, T.; van Gorp, W.; Wijbrans, J.R.; van Hinsbergen, D.J.J.; Dekkers, M.J.; Schreve, D.; Schoorl, J.M.; Scaife, R.; Stemerdink, C.; van der Schriek, T.; Bridgland, D.R.; Aytaç, A.S.

2017-01-01

The Gediz River, one of the principal rivers of Western Anatolia, has an extensive Pleistocene fluvial archive that potentially offers a unique window into fluvial system behaviour on the western margins of Asia during the Quaternary. In this paper we review our work on the Quaternary Gediz River

Copolymerization and terpolymerization of carbon dioxide/propylene oxide/phthalic anhydride using a (salenCo(III complex tethering four quaternary ammonium salts

Directory of Open Access Journals (Sweden)

Jong Yeob Jeon

2014-08-01

Full Text Available The (salenCo(III complex 1 tethering four quaternary ammonium salts, which is a highly active catalyst in CO2/epoxide copolymerizations, shows high activity for propylene oxide/phthalic anhydride (PO/PA copolymerizations and PO/CO2/PA terpolymerizations. In the PO/PA copolymerizations, full conversion of PA was achieved within 5 h, and strictly alternating copolymers of poly(1,2-propylene phthalates were afforded without any formation of ether linkages. In the PO/CO2/PA terpolymerizations, full conversion of PA was also achieved within 4 h. The resulting polymers were gradient poly(1,2-propylene carbonate-co-phthalates because of the drift in the PA concentration during the terpolymerization. Both polymerizations showed immortal polymerization character; therefore, the molecular weights were determined by the activity (g/mol-1 and the number of chain-growing sites per 1 [anions in 1 (5 + water (present as impurity + ethanol (deliberately fed], and the molecular weight distributions were narrow (Mw/Mn, 1.05–1.5. Because of the extremely high activity of 1, high-molecular-weight polymers were generated (Mn up to 170,000 and 350,000 for the PO/PA copolymerization and PO/CO2/PA terpolymerization, respectively. The terpolymers bearing a substantial number of PA units (fPA, 0.23 showed a higher glass-transition temperature (48 °C than the CO2/PO alternating copolymer (40 °C.

Quaternary Tectonic and Climatic Processes shaping the Central Andean hyperarid forearc (southern Peru)

Science.gov (United States)

Audin, Laurence; Benavente, Carlos; Zerathe, Swann; Saillard, Marianne; Hall, Sarah R.; Farber, Daniel L.

2015-04-01

Understanding the forearc structure and processes related to Quaternary evolution and uplift of the Western Andean Cordillera remains an outstanding scientific issue. Models of Andean Plateau evolution based on Tertiary volcanic stratigraphy since 5Ma suggest that the deformation was focused along the eastern margin of the plateau and that minimal uplift occurred along the Pacific margin. On the contrary, new tectonic data and Quaternary surface 10Be dating highlight the presence of recently active deformation, incision and alluvial processes within the upper Andean forearc together with a regional uplift of the coastal zone. Additionally, the high obliquity observed in the northern Arica Bend region makes it an ideal target to discuss whether partitioning of the oblique convergence is accommodated by the neotectonic features that dissect the Quaternary forearc. Our goals are both to decipher the Quaternary tectonic and climatic processes shaping the hyperarid forearc along strike and across strike. Finally, we aim to quantify the respective influence of these factors in the overall uplift of the Western Andes. Indeed, sequences of pediment surfaces, landslide products, paleolake deposits and marine terraces found along the oblique Peruvian margin are a unique set of datable markers that can be used to quantify the rates of Quaternary processes. In this study, we focus on the southern Peru hyperarid Atacama area where regional surfaces and tectonic markers (scarps, folds, temporary streams and paleolake levels offsets…) are well preserved for the Quaternary timescale. Numerous landsliding events align on the major fault segments and reflect Plio-Pleistocene climatic and tectonic activity together with filled and strath terraces. As the present day sea-level is one of the highest levels recorded for Quaternary time span, any emerged marine terrace is preserved by tectonic coastal uplift. In particular, the geomorphic and chronologic correlation between marine and

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.

The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

Energy Technology Data Exchange (ETDEWEB)

Marchewka, M., E-mail: marmi@ur.edu.pl; Woźny, M.; Polit, J.; Sheregii, E. M. [Faculty of Mathematics and Natural Sciences, Centre for Microelectronics and Nanotechnology, University of Rzeszów, Pigonia 1, 35-959 Rzeszów (Poland); Kisiel, A. [Institute of Physics, Jagiellonian University, Reymonta 4, Kraków 30-059 (Poland); Robouch, B. V.; Marcelli, A. [INFN-Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati (Italy)

2014-03-21

To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

International Nuclear Information System (INIS)

Marchewka, M.; Woźny, M.; Polit, J.; Sheregii, E. M.; Kisiel, A.; Robouch, B. V.; Marcelli, A.

2014-01-01

To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III–V and II–VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra

The stochastic model for ternary and quaternary alloys: Application of the Bernoulli relation to the phonon spectra of mixed crystals

Science.gov (United States)

Marchewka, M.; Woźny, M.; Polit, J.; Kisiel, A.; Robouch, B. V.; Marcelli, A.; Sheregii, E. M.

2014-03-01

To understand and interpret the experimental data on the phonon spectra of the solid solutions, it is necessary to describe mathematically the non-regular distribution of atoms in their lattices. It appears that such description is possible in case of the strongly stochastically homogenous distribution which requires a great number of atoms and very carefully mixed alloys. These conditions are generally fulfilled in case of high quality homogenous semiconductor solid solutions of the III-V and II-VI semiconductor compounds. In this case, we can use the Bernoulli relation describing probability of the occurrence of one n equivalent event which can be applied, to the probability of finding one from n configurations in the solid solution lattice. The results described in this paper for ternary HgCdTe and GaAsP as well as quaternary ZnCdHgTe can provide an affirmative answer to the question: whether stochastic geometry, e.g., the Bernoulli relation, is enough to describe the observed phonon spectra.

Quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Iyer, Abishek K.; Lee, Emma J.; Bernard, Guy M.; Michaelis, Vladimir K.; Mar, Arthur [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Yin, Wenlong [Department of Chemistry, University of Alberta, Edmonton, AB (Canada); Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang (China)

2017-12-13

The quaternary chalcogenides La{sub 3}Sn{sub 0.5}InS{sub 7} and La{sub 3}Sn{sub 0.5}InSe{sub 7} were prepared by reactions of the elements at 1050 C and 950 C, respectively. They adopt noncentrosymmetric structures [hexagonal, space group P6{sub 3}, Z = 2; a = 10.2993(11) Aa, c = 6.0921(6) Aa for La{sub 3}Sn{sub 0.5}InS{sub 7}; a = 10.6533(7) Aa, c = 6.4245(4) Aa for La{sub 3}Sn{sub 0.5}InSe{sub 7}] in which the half-occupancy of Sn atoms within octahedral sites classifies them as belonging to the La{sub 3}Mn{sub 0.5}SiS{sub 7}-type branch of the large family of quaternary rare-earth chalcogenides RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7}. The site distribution in La{sub 3}Sn{sub 0.5}InCh{sub 7}, with higher-valent Sn atoms occupying octahedral instead of tetrahedral sites, is reversed from the typical situation observed in other RE{sub 3}M{sub 1-x}M{sup '}Ch{sub 7} compounds. The ordered distribution of Sn atoms in octahedral sites and In atoms in tetrahedral sites was evaluated by bond valence sum analyses. Moreover, {sup 119}Sn solid-state nuclear magnetic resonance (NMR) spectroscopy confirms the occupation of Sn{sup 4+} species exclusively within octahedral sites. An optical bandgap of 1.45 eV was found for La{sub 3}Sn{sub 0.5}InS{sub 7}. Band structure calculations on an ordered superstructure model of La{sub 3}Sn{sub 0.5}InS{sub 7} reveal that avoidance of strongly Sn-S antibonding levels is an important driving force for the Sn deficiency. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Lithology, fault displacement, and origin of secondary calcium carbonate and opaline silica at Trenches 14 and 14D on the Bow Ridge Fault at Exile Hill, Nye County, Nevada

International Nuclear Information System (INIS)

Taylor, E.M.; Huckins, H.E.

1995-01-01

Yucca Mountain, a proposed site for a high-level nuclear-waste repository, is located in southern Nevada, 20 km east of Beatty, and adjacent to the southwest comer of the Nevada Test Site (NTS) (fig. 1). Yucca Mountain is located within the Basin and Range province of the western United States. The climate is semiarid, and the flora is transitional between that of the Mojave Desert to the south and the Great Basin Desert to the north. As part of the evaluation, hydrologic conditions, especially water levels, of Yucca Mountain and vicinity during the Quaternary, and especially the past 20,000 years, are being characterized. In 1982, the US Geological Survey, in cooperation with the US Department of Energy (under interagency agreement DE-A104-78ET44802), excavated twenty-six bulldozer and backhoe trenches in the Yucca Mountain region to evaluate the nature and frequency of Quaternary faulting (Swadley and others, 1984). The trenches were oriented perpendicular to traces of suspected Quaternary faults and across projections of known bedrock faults into Quaternary deposits. Trench 14 exposes the Bow Ridge Fault on the west side of Exile Hill. Although the original purpose of the excavation of trench 14 was to evaluate the nature and frequency of Quaternary faulting on the Bow Ridge Fault, concern arose as to whether or not the nearly vertical calcium carbonate (the term ''carbonate'' in this study refers to calcium carbonate) and opaline silica veins in the fault zone were deposited by ascending waters (ground water). These veins resemble in gross morphology veins commonly formed by hydrothermal processes

New quaternary carbide Mg1.52Li0.24Al0.24C0.86 as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode.

Science.gov (United States)

Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy

2018-03-01

Magnesium alloys are the basis for the creation of light and ultra-light alloys. They have attracted attention as potential materials for the accumulation and storage of hydrogen, as well as electrode materials in metal-hydride and magnesium-ion batteries. The search for new metal hydrides has involved magnesium alloys with rare-earth transition metals and doped by p- or s-elements. The synthesis and characterization of a new quaternary carbide, namely dimagnesium lithium aluminium carbide, Mg 1.52 Li 0.24 Al 0.24 C 0.86 , belonging to the family of hexagonal close-packed (hcp) structures, are reported. The title compound crystallizes with hexagonal symmetry (space group P-6m2), where two sites with -6m2 symmetry and one site with 3m. symmetry are occupied by an Mg/Li statistical mixture (in Wyckoff position 1a), an Mg/Al statistical mixture (in position 1d) and C atoms (2i). The cuboctahedral coordination is typical for Mg/Li and Mg/Al, and the C atom is enclosed in an octahedron. Electronic structure calculations were used for elucidation of the ability of lithium or aluminium to substitute magnesium, and evaluation of the nature of the bonding between atoms. The presence of carbon in the carbide phase improves the corrosion resistance of the Mg 1.52 Li 0.24 Al 0.24 C 0.86 alloy compared to the ternary Mg 1.52 Li 0.24 Al 0.24 alloy and Mg.

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.

Quaternary epitopes of α345(IV) collagen initiate Alport post-transplant anti-GBM nephritis

DEFF Research Database (Denmark)

Olaru, Florina; Luo, Wentian; Wang, Xu-Ping

2013-01-01

Alport post-transplant nephritis (APTN) is an aggressive form of anti-glomerular basement membrane disease that targets the allograft in transplanted patients with X-linked Alport syndrome. Alloantibodies develop against the NC1 domain of α5(IV) collagen, which occurs in normal kidneys, including...... of alloantibodies against allogeneic collagen IV. Some alloantibodies targeted alloepitopes within α5NC1 monomers, shared by α345NC1 and α1256NC1 hexamers. Other alloantibodies specifically targeted alloepitopes that depended on the quaternary structure of α345NC1 hexamers. In Col4a5-null mice, immunization...... with native forms of allogeneic collagen IV exclusively elicited antibodies to quaternary α345NC1 alloepitopes, whereas alloimmunogens lacking native quaternary structure elicited antibodies to shared α5NC1 alloepitopes. These results imply that quaternary epitopes within α345NC1 hexamers may initiate...

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

Organocatalytic asymmetric allylic amination of Morita–Baylis–Hillman carbonates of isatins

Directory of Open Access Journals (Sweden)

Hang Zhang

2012-08-01

Full Text Available The investigation of a Lewis base catalyzed asymmetric allylic amination of Morita–Baylis–Hillman carbonates derived from isatins afforded an electrophilic pathway to access multifunctional oxindoles bearing a C3-quaternary stereocenter, provided with good to excellent enantioselectivity (up to 94% ee and in high yields (up to 97%.

Radiolysis of simple quaternary ammonium salt components of Amberlite resin

International Nuclear Information System (INIS)

Dhiman, Surajdevprakash B.; LaVerne, Jay A.

2013-01-01

The radiation chemical yields of gaseous products, H 2 and CH 4 , in the radiolysis of dry methylammonium chloride, dimethylammonium chloride, trimethylammonium chloride, tetramethylammonium chloride and benzyl trimethylammonium chloride by γ-rays and 5 MeV helium ions have been investigated. Some of these amines are the different components of the quaternary ammonium resin Amberlite, which is a strongly basic anion exchange resin based on a polystyrene divinylbenzene copolymer. Molecular hydrogen yields with γ-radiolysis range from a high of 4.43 molecules per 100 eV for trimethylammonium chloride to 0.07 and 0.05 molecules per 100 eV for tetramethylammonium chloride and benzyl trimethylammonium chloride, respectively. Yields of methane gas are generally negligible except for trimethylammonium chloride and tetramethylammonium chloride, 0.26 and 0.02 molecules per 100 eV, respectively. Isotopic labeling studies suggest that the first step in H 2 production is the breakage of the N-H bond followed by abstraction of H · atom from the methyl groups. EPR analysis shows the formation of both N and C centered radicals. A comparison is made between the radiolysis of Amberlite and its various components

New quantum codes constructed from quaternary BCH codes

Science.gov (United States)

Xu, Gen; Li, Ruihu; Guo, Luobin; Ma, Yuena

2016-10-01

In this paper, we firstly study construction of new quantum error-correcting codes (QECCs) from three classes of quaternary imprimitive BCH codes. As a result, the improved maximal designed distance of these narrow-sense imprimitive Hermitian dual-containing quaternary BCH codes are determined to be much larger than the result given according to Aly et al. (IEEE Trans Inf Theory 53:1183-1188, 2007) for each different code length. Thus, families of new QECCs are newly obtained, and the constructed QECCs have larger distance than those in the previous literature. Secondly, we apply a combinatorial construction to the imprimitive BCH codes with their corresponding primitive counterpart and construct many new linear quantum codes with good parameters, some of which have parameters exceeding the finite Gilbert-Varshamov bound for linear quantum codes.

A major change in precipitation gradient on the Chinese Loess Plateau at the Pliocene-Quaternary boundary

Science.gov (United States)

Peng, Wenbin; Nie, Junsheng; Wang, Zhao; Qiang, Xiaoke; Garzanti, Eduardo; Pfaff, Katharina; Song, Yougui; Stevens, Thomas

2018-04-01

Spatiotemporal variations in East Asian Monsoon (EAM) precipitation during the Quaternary have been intensively studied. However, spatial variations in pre-Quaternary EAM precipitation remain largely uninvestigated, preventing a clear understanding of monsoon dynamics during a warmer climatic period. Here we compare the spatial differences in heavy mineral assemblages between Quaternary loess and pre-Quaternary Red Clay on the Chinese Loess Plateau (CLP) to analyze spatial patterns in weathering. Prior studies have revealed that unstable hornblende is the dominant (∼50%) heavy mineral in Chinese loess deposited over the past 500 ka, whereas hornblende content decreases to climate at Jiaxian must have been initiated since ∼2.7 Ma, preventing hornblende dissolution to amounts change in climatic patterns at ∼2.7 Ma to decreased northward moisture transportation associated with Northern Hemisphere glaciation and cooling in the Quaternary. This study therefore demonstrates the potential usefulness of employing heavy mineral analysis in both paleoclimatic and paleooceanographic reconstructions.

Exotic objects of atomic physics

Science.gov (United States)

Eletskii, A. V.

2017-11-01

There has been presented a short survey of physical properties, methods of production and exploration as well as directions of practical usage of the objects of atomic physics which are not yet described in detail in modern textbooks and manuals intended for students of technical universities. The family of these objects includes negative and multicharged ions, Rydberg atoms, excimer molecules, clusters. Besides of that, in recent decades this family was supplemented with new nanocarbon structures such as fullerenes, carbon nanotubes and graphene. The textbook “Exotic objects of atomic physics” [1] edited recently contains some information on the above-listed objects of the atomic physics. This textbook can be considered as a supplement to classic courses of atomic physics teaching in technical universities.

Atomization of magnesium, strontium, barium and lead nitrates on surface of graphite atomizers

International Nuclear Information System (INIS)

Nagdaev, V.K.; Pupyshev, A.A.

1982-01-01

Modelling of the processes on graphite surface using differential-thermal analysis and graphite core with identification of decomposition products of magnesium, strontium, barium and lead nitrates by X-ray analysis has shown that carbon promotes the formation of strontium, barium and lead carbonates. The obtained temperatures of strontium and barium carbonate decomposition to oxides agree satisfactorily with calculation ones. Magnesium nitrate does not react with carbon. Formation of strontium and barium carbonates results in considerable slowing down of the process of gaseous oxide dissociation. Lead carbonate is unstable and rapidly decomposes to oxide with subsequent reduction to free metal. Formation of magnesium, strontium and barium free atoms is connected with appearance of gaseous oxides in analytical zone. Oxide and free metal lead are present on graphite surface simultaneously

Geo-Electric and Hydrogeochemical Mapping of Quaternary ...

African Journals Online (AJOL)

Michael Horsfall

basically different from those observed in nearby Warri and indicative of possible ... exist in the Quaternary superficial deposits of the Niger Delta environment. ... the petroleum geology of the area has been subject of ... of Commerce and Industry, 2001; Atakpo and ... purposes of aquifer vulnerability assessments and the.

Derivatization of peptides as quaternary ammonium salts for sensitive detection by ESI-MS.

Science.gov (United States)

Cydzik, Marzena; Rudowska, Magdalena; Stefanowicz, Piotr; Szewczuk, Zbigniew

2011-06-01

A series of model peptides in the form of quaternary ammonium salts at the N-terminus was efficiently prepared by the solid-phase synthesis. Tandem mass spectrometric analysis of the peptide quaternary ammonium derivatives was shown to provide sequence confirmation and enhanced detection. We designed the 2-(1,4-diazabicyclo[2.2.2] octylammonium)acetyl quaternary ammonium group which does not suffer from neutral losses during MS/MS experiments. The presented quaternization of 1,4-diazabicyclo[2.2.2]octane (DABCO) by iodoacetylated peptides is relatively easy and compatible with standard solid-phase peptide synthesis. This methodology offers a novel sensitive approach to analyze peptides and other compounds. Copyright © 2011 European Peptide Society and John Wiley & Sons, Ltd.

Seismic stability analyses of various reactor buildings on quaternary deposit

International Nuclear Information System (INIS)

Takeuchi, Y.; Tsutagawa, M.; Asakura, S.; Katoh, T.; Tomura, H.; Uchiyama, S.; Koyama, M.; Oguro, E.; Akino, K.; Iizuka, S.; Hayashi, M.

1993-01-01

Many nuclear power plants have been built on Quaternary deposits in Europe and U.S.A., however, Japanese basic policy is to construct the reactor building and other auxiliary buildings on a bed rock which are important to safety, because large earthquakes are postulated to occur. Being limited bed rock sites in Japan, it has become necessary to increase possible place for nuclear power plant in order to cope with the middle and long term siting problems. For the purpose of establishing the draft of guideline on seismic design of reactor building on the Quaternary sand and gravel deposit in Japan, foundation soil stability and seismic resistance of the reactor building and plant equipment have been investigated and studied from 1983 to 1998. The studies have shown the following: 1) The response rotation angles of both common light weight basement (CL) and step basement (ES) plants during the earthquake reduce to 1/2 of the BR plant value, and the bearing pressure between the basement and the soil of improved plant are reduced as well; (2) every structure built on quaternary sand and gravel deposit, having 400m/s shear velocity, maintains enough seismic resistance, because the shear stress caused in the wall is small. The maximum shear strain of soil below the basemat of BR-BWR, which suffers the largest bearing pressure, is 1.1x10 -9 , but it can be said that the soil has enough stability according to the past soil tests for the Quaternary sand and gravel deposit that had been done by authors

Water-quality characteristics of quaternary unconsolidated-deposit aquifers and lower tertiary aquifers of the Bighorn Basin, Wyoming and Montana, 1999-2001

Science.gov (United States)

Bartos, Timothy T.; Eddy-Miller, Cheryl A.; Norris, Jody R.; Gamper, Merry E.; Hallberg, Laura L.

2004-01-01

As part of the Yellowstone River Basin National Water Quality Assessment study, ground-water samples were collected from Quaternary unconsolidated-deposit and lower Tertiary aquifers in the Bighorn Basin of Wyoming and Montana from 1999 to 2001. Samples from 54 wells were analyzed for physical characteristics, major ions, trace elements, nutrients, dissolved organic carbon, radionuclides, pesticide compounds, and volatile organic compounds (VOCs) to evaluate current water-quality conditions in both aquifers. Water-quality samples indicated that waters generally were suitable for most uses, and that natural conditions, rather than the effects of human activities, were more likely to limit uses of the waters. Waters in both types of aquifers generally were highly mineralized, and total dissolved-solids concentrations frequently exceeded the U.S. Environmental Protection Agency (USEPA) Secondary Maximum Contaminant Level (SMCL) of 500 milligrams per liter (mg/L). Because of generally high mineralization, waters from nearly one-half of the samples from Quaternary aquifers and more than one-half of the samples from lower Tertiary aquifers were not classified as fresh (dissolved-solids concentration were not less than 1,000 mg/L). The anions sulfate, fluoride, and chloride were measured in some ground-water samples at concentrations greater than SMCLs. Most waters from the Quaternary aquifers were classified as very hard (hardness greater than 180 mg/L), but hardness varied much more in waters from the lower Tertiary aquifers and ranged from soft (less than 60 mg/L) to very hard (greater than 180 mg/L). Major-ion chemistry varied with dissolved-solids concentrations. In both types of aquifers, the predominant anion changes from bicarbonate to sulfate with increasing dissolved-solids concentrations. Samples from Quaternary aquifers with fresh waters generally were calcium-bicarbonate, calcium-sodium-bicarbonate, and calcium-sodium-sulfate-bicarbonate type waters, whereas

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.

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.

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.

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.

Late quaternary fluctuations in carbonate and carbonate ion content in the northern Indian ocean

Digital Repository Service at National Institute of Oceanography (India)

Naik, S.S.

-normalized carbonate ion (CO3=*) range from 90 to 125µmol kg-1 in the tropical region of the world oceans with a weight los of 0.3 ± 0.05µg mol -1kg-1 (Broecker and Clark, 201d). Botm water CO3=* concentration bathing the core tops are in the range of 88 to 13 μmolkg-1...

Quaternary tectonic evolution of the Pamir-Tian Shan convergence zone, Northwest China

Science.gov (United States)

Thompson Jobe, Jessica Ann; Li, Tao; Chen, Jie; Burbank, Douglas W.; Bufe, Aaron

2017-12-01

The Pamir-Tian Shan collision zone in the western Tarim Basin, northwest China, formed from rapid and ongoing convergence in response to the Indo-Eurasian collision. The arid landscape preserves suites of fluvial terraces crossing structures active since the late Neogene that create fault and fold scarps recording Quaternary deformation. Using geologic and geomorphic mapping, differential GPS surveys of deformed terraces, and optically stimulated luminescence dating, we create a synthesis of the active structures that delineate the timing, rate, and migration of Quaternary deformation during ongoing convergence. New deformation rates on eight faults and folds, when combined with previous studies, highlight the spatial and temporal patterns of deformation within the Pamir-Tian Shan convergence zone during the Quaternary. Terraces spanning 130 to 8 ka record deformation rates between 0.1 and 5.6 mm/yr on individual structures. In the westernmost Tarim Basin, where the Pamir and Tian Shan are already juxtaposed, the fastest rates occur on actively deforming structures at the interface of the Pamir-Tian Shan orogens. Farther east, as the separation between the Pamir-Tian Shan orogens increases, the deformation has not been concentrated on a single structure, but rather has been concurrently distributed across a zone of faults and folds in the Kashi-Atushi fold-and-thrust belt and along the NE Pamir margin, where shortening rates vary on individual structures during the Quaternary. Although numerous structures accommodate the shortening and the locus of deformation shifts during the Quaternary, the total shortening across the western Tarim Basin has remained steady and approximately matches the current geodetic rate of 6-9 mm/yr.

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.

Previsions of the microstructural evolution of ferritic alloys under irradiation by numerical atomic scale simulations

International Nuclear Information System (INIS)

Ngayam Happy, R.

2010-01-01

In this work, we have improved a diffusion model for point defects (vacancies and self-interstitials) by introducing hetero-interstitials. The model has been used to simulate by Kinetic Monte Carlo (KMC) the formation of solute rich clusters that are observed experimentally in irradiated ferritic model alloys of type Fe - CuMnNiSiP - C.Electronic structure calculations have been used to characterize the interactions between self-interstitials and all solute atoms, and also carbon. P interacts with vacancies and strongly with self-interstitials. Mn also interacts with self-interstitials to form mixed dumbbells. C, with occupies octahedral sites, interacts strongly with vacancies and less with self-interstitials. Binding and migration energies, as well as others atomic scale properties, obtained by ab initio calculations, have been used as parameters for the KMC code. Firstly, these parameters have been optimized over isochronal annealing experiments, in the literature, of binary alloys that have been electron-irradiated. Isochronal annealing simulations, by reproducing experimental results, have allowed us to link each mechanism to a single evolution of the resistivity during annealing. Moreover, solubility limits of all the elements have been determined by Metropolis Monte Carlo. Secondly, we have simulated the evolution at 300 C of the microstructure under irradiation of different alloys of increasing complexity: pure Fe, binary alloys, ternaries, quaternaries, and finally complex alloys which compositions are close to those of pressure vessel steels. The results show that the model globally reproduces all the experimental tendencies, what has led us to propose mechanisms to explain the behaviours observed. (author)

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.

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.

Late Quaternary changes in surface productivity and oxygen ...

Indian Academy of Sciences (India)

University of Allahabad, Allahabad 211 002, India. ∗ e-mail: ... This process lowers the pH of water which results into increased dissolution of ..... causes a rapid melting of the inland glaciers, an .... Quaternary climate changes; J. Atmos. Sci.

Potentiometric studies on quaternary complexes of dioxouranium(VI)

Energy Technology Data Exchange (ETDEWEB)

Kumari, Vinod; Chaturvedi, G K [Agra Coll., (India). Chemical Laboratories

1979-10-01

The formation of quaternary complexes of dioxouranium(VI) with three different organic acids (OX, MALN and SA, SSA, TAR or TMA) has been inferred from the potentiometric studies. The formation constants for the resulting triligand complexes have been evaluated.

Evolution and variation of the Tsushima warm current during the late Quaternary: Evidence from planktonic foraminifera, oxygen and carbon isotopes

Institute of Scientific and Technical Information of China (English)

2007-01-01

The evolution and variation history of the Tsushima warm current during the late Quaternary was reconstructed based on the quantitative census data of planktonic foraminiferal fauna, together with oxygen and carbon isotope records of mixed layer dweller G. ruber and thermocline dweller N. dutertrei in piston core CSH1 and core DGKS9603 collected separately from the Tsushima warm current and the Kuroshio dominated area. The result showed that the Tsushima warm current vanished in the lowstand period during 40―24 cal ka BP, while the Kuroshio still flowed across the Okinawa Trough, arousing strong upwelling in the northern Trough. Meanwhile, the influence of freshwater greatly increased in the northern Okinawa Trough, as the broad East China Sea continental shelf emerged. The freshwater reached its maximum during the last glacial maximum (LGM), when the upwelling obviously weakened for the lowest sea-level and the depression of the Kuroshio. The modern Tsushima warm current began its development since 16 cal ka BP, and the impact of the Kuroshio increased in the middle and north- ern Okinawa Trough synchronously during the deglaciation and gradually evolved as the main water source of the Tsushima current. The modern Tsushima current finally formed at about 8.5 cal ka BP, since then the circulation structure has been relatively stable. The water of the modern Tsushima cur- rent primarily came from the Kuroshio axis. A short-term wiggle of the current occurred at about 3 cal ka BP, probably for the influences from the enhancement of the winter monsoon and the depression of the Kuroshio. The cold water masses greatly strengthened during the wiggle.

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)

Occurrence and genesis of Quaternary microbialitic tufa at Hammam Al Ali, Oman

Science.gov (United States)

Khalaf, Fikry I.

2017-05-01

Remnants of late Quaternary microbialitic tufa occurs within a shallow depression in the Hammam Al Ali hot spring area, which is located approximately 14.5 km to the southwest of Muscat, Oman. The tufa precipitated from hot spring water supersaturated with respect to calcium carbonate and is mostly of a porous phytogenic type, with occasional detrital and stromatolitic types. Microscopic and nanoscopic examination revealed that the tufa deposits developed through two successive processes of calcite precipitation, biotic and abiotic, preceded by limited precipitation of unstable aragonite. It is suggested that biologically mediated precipitation results in the construction of incomplete skeletal calcite crystals. The latter provide a base for classical physiochemical precipitation and, eventually, the development of complete sparry calcite crystals. The initiation of dendritic calcite crystals in the stromatolitic tufa as incomplete biogenic skeletal crystals and their characteristic growth pattern indicates that the tufa represents a clear example of hot spring calcitic microbialite.

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.

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.

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

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...

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.

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...

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

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.

Determination of trace quaternary ammonium surfactants in water by combining solid-phase extraction with surface-assisted laser desorption/ionization mass spectrometry.

Science.gov (United States)

Chen, Y C; Sun, M C

2001-01-01

This study demonstrates the feasibility of combining solid-phase extraction (SPE) with surface-assisted laser desorption/ionization (SALDI) mass spectrometry to determine trace quaternary ammonium surfactants in water. The trace surfactants in water were directly concentrated on the surface of activated carbon sorbent in SPE. The activated carbon sorbent was then mixed with the SALDI liquid for SALDI analysis. No SPE elution procedure was necessary. Experimental results indicate that the surfactants with longer chain alkyl groups exhibit higher sensitivities than those with shorter chain alkyl groups in SPE-SALDI analysis. The detection limit for hexadecyltrimethylammonium bromide is around 10 ppt in SPE-SALDI analysis by sampling 100 mL of aqueous solution, while that of tetradecyltrimethylammonium bromide is about 100 ppt. The detection limit for decyltrimethylammonium bromide and dodecyltrimethylammonium bromide is in the low-ppb range. Copyright 2001 John Wiley & Sons, Ltd.

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

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.

Recent advances in quaternary geochronology

International Nuclear Information System (INIS)

Poupeau, G.

1983-01-01

Significant progress has occurred in quaternary geochronology. These include both (i) improvements in Fission Track and Thermoluminescence dating, as well as (ii) new technologies for short-lived (i.e. with half lives 6 yrs) radionuclide measurements as with the 14 C or uranium series desequilibrium dating, and finally (iii) the emergence of entirely new dating approches as the Electron Spin Resonnance Method. The aim of this paper is to review these progresses and the new areas they open geochronology for the past-miocene times. (author) [pt

Auxotrophy-stimulated sensitivity to quaternary ammonium salts and its relation to active transport in yeast

International Nuclear Information System (INIS)

Lachowicz, T.M.; Oblak, E.; Piatkowski, J.

1992-01-01

In previous studies we have observed that auxotrophic mutants of yeast were much more sensitive to quaternary ammonium salts than the corresponding isogenic wild type strains. The super sensitivity of the auxotrophs seems to be a characteristic feature of yeast and yeast-like microorganisms: the level of sensitivity of the quaternary ammonium salts of the bacterial auxotrophs and their original prototrophic forms appeared to be the same. The super sensitivity of yeast auxotrophs disappeared on minimal media with ammonium as a nitrogen source. In this report there are presented the data indicating that enrichment of the minimal medium with arginine restores the super sensitivity of auxotrophic yeast mutants to the quaternary ammonium salts. The results of amino-acid transport into the auxotrophic yeast cells treated with a quaternary ammonium salt in the presence and absence of arginine are given. A working hypothesis of the mechanism of these salts action as a specific inhibition of nutrient transport is discussed. (author). 19 refs, 3 figs, 8 figs

Plio-quaternary deposits in the Eastern Rharb (Nw Morocco): Electrosequential characterization

Science.gov (United States)

Al Mazini, Imane; Mridekh, Abdelaziz; Kili, Malika; El Mansouri, Bouâbid; El Bouhaddioui, Mohamed; Magrane, Bouchaib

2018-02-01

The Rharb basin, of which our study area is part, is located at the western extremity of the south Rif corridor. It corresponds to a subsiding zone that appeared in the Upper Miocene, between two major structural domains: the Rif to the north and east and the Meseta domain to the south. The eastern part of this basin is characterized by a Plio-Quaternary continental fill. Its geographical position and its structural and paleo-environmental contexts are reflected by a great facies heterogeneity. This work aims to image the subsurface structure and to characterize the distribution mode of Plio-Quaternary deposits of the eastern Rharb. The use of a database consisting of geo-electrical cross sections, hydrogeological drilling and wireline logging integrated in a Geographic Information System (GIS) allowed us to establish a new three-dimensional model of the top of the Mio-Pliocene substratum, new geo-electrical cross sections, as well as the isopach maps of lower, intermediate, upper and superficial geo-electric interval. This approach allowed us to characterize the Plio-Quaternary deposits of the study area and to highlight the effects of the tectonic regime and the relative sea level fluctuations on the sequential organization of these deposits. Our new model shows the development of prograding, aggrading and retrograding parasequences denoting the existence of autogenic mechanisms in the organization of plio-quaternary deposits of the eastern part of the Rharb basin. Therefore, it opens new perspectives for the exploration of water resources and monitoring their quality throughout the basin.

Polarization encoded all-optical quaternary R-S flip-flop using binary latch

Science.gov (United States)

Chattopadhyay, Tanay; Roy, Jitendra Nath; Chakraborty, Ajoy Kumar

2009-04-01

The developments of different multi-valued logic (MVL) systems have received considerable interests in recent years all over the world. In electronics, efforts have already been made to incorporate multi-valued system in logic and arithmetic data processing. But, very little efforts have been given in realization of MVL with optics. In this paper we present novel designs of certain all-optical circuits that can be used for realizing multi-valued logic functions. Polarization encoded all-optical quaternary (4-valued) R-S flip-flop is proposed and described. Two key circuits (all-optical encoder/decoder and a binary latch) are designed first. They are used to realize quaternary flip-flop in all-optical domain. Here the different quaternary logical states are represented by different polarized state of light. Terahertz Optical Asymmetric Demultiplexer (TOAD) based interferometric switch can take an important role. Computer simulation result confirming described methods and conclusion are given in this paper.

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.

Determination of aromatic fragment content in phenol-containing fractions of solid fuel conversion products using nuclear magnetic resonance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kanitskaya, L.V.; Kushnarev, D.F.; Polonov, V.M.; Kalabin, G.A.

1986-03-01

Optimum conditions are determined for obtaining quantitative nuclear magnetic resonance /sup 13/C spectra of fragments in phenol-containing fraction of coal products. Causes are analyzed of residual signals in spectra of un-protonized carbon atoms. The tests were carried out on: low-temperature carbonization tar and phenol fraction obtained during medium-temperature coking of Cherenkhovskii coal (which contains 84.13% C; 9.68% H; 1.23% S; 4.96% O); products of tar hydrogenation with various phenol content; standard phenol mixture. It was found that quantitative determination of aromatic fraction content in coal conversion products and other phenol- and amine-containing complex mixtures, using NMR spectroscopy requires the addition of dimethylsulfide or acetone in order to suppress specific interactions of phenols (amines) with relaxants and obtain quantitative subspectra of Tertiary and Quaternary aromatic carbon atoms. 16 references.

Quaternary Ammonium Polyethyleneimine: Antibacterial Activity Ira

International Nuclear Information System (INIS)

Farber, Y.; Domb, A.G.; Golenser, J.; Beyth, N.; Weiss, E.I.

2010-01-01

Quaternary ammonium polyethyleneimine- (QA-PEI-) based nanoparticles were synthesized using two synthetic methods, reductive amination and N-alkylation. According to the first method, QA-PEI nanoparticles were synthesized by cross-linking with glutaraldehyde followed by reductive amination with octanal and further N-methylation with methyl iodide. The second method is based on crosslinking with dialkyl halide followed by N-alkylation with octyl halide and further N-methylation with methyl iodide. QA-PEI nanoparticles completely inhibited bacterial growth (>106 bacteria), including both Gram-positive, that is, Staphylococcus aureus at 80 μ/mL, and Gram-negative, that is, Escherichia coli at 320 μ/mL. Activity analysis revealed that the degree of alkylation and N-methylation of the QA-PEI nanoparticles plays a significant role in antibacterial activity of the reagent. The most potent compound was octyl alkylated QA-PEI alkylated at 1 : 1 mole ratio (primary amine of PEI monomer units/alkylating agent). Also, cytotoxicity studies on MAT-LyLu and MBT cell lines were performed with QA-PEI nanoparticles. These findings confirm previous reports that poly cations bearing quaternary ammonium moieties inhibit bacterial growth in vitro and have a potential use as additives in medical devices which need antibacterial properties.

Community ecology in a changing environment: Perspectives from the Quaternary.

Science.gov (United States)

Jackson, Stephen T; Blois, Jessica L

2015-04-21

Community ecology and paleoecology are both concerned with the composition and structure of biotic assemblages but are largely disconnected. Community ecology focuses on existing species assemblages and recently has begun to integrate history (phylogeny and continental or intercontinental dispersal) to constrain community processes. This division has left a "missing middle": Ecological and environmental processes occurring on timescales from decades to millennia are not yet fully incorporated into community ecology. Quaternary paleoecology has a wealth of data documenting ecological dynamics at these timescales, and both fields can benefit from greater interaction and articulation. We discuss ecological insights revealed by Quaternary terrestrial records, suggest foundations for bridging between the disciplines, and identify topics where the disciplines can engage to mutual benefit.

Study on quaternary stratigraphy and environmental changes in South Sea, Korea

Energy Technology Data Exchange (ETDEWEB)

Chang, Jeong-Hae; Lee, Chi-Won; Kim, Sung-Pil [Korea Institute of Geology Mining and Materials, Taejon (KR)] (and others)

1999-12-01

According to interpretation of seismic profiles crossing the drilled sites, there are five sequences, namely Unit I, Unit II, Unit III, Unit IV and Unit V from bottom, separable by a reflector with good lateral continuity. If we apply the conception of sequential stratigraphy to the sea level fluctuation caused depositional processes, based on the results of seismic profiles, it will be possible to figure out the late Quaternary depositional processes in the context of sea level changes. According to the sedimentological and seismic stratigraphic analysis, most of SSDP sites showed transgression and regression sequences. Chemical analyses of elements for the sediment samples of SSDP-102 core exhibit the geochemical factors which may influenced the sedimentary environments of the study area. The lower-most sedimentary sequence Unit III can be interpreted as an environment which was influenced dominantly by stronger chemical weathering under a semi-fresh water environment. Based on predominance of carbonate-originated Ca in the homogeneous mud sequence, a high productive surface water along with transgression may have controlled the upper-most sedimentary sequence Unit I. Scatter diagram represents oxygen and carbon isotopic values of benthic foraminifera (Asterorotalia concinna) which is analyzed. All 61 points has value between +1 and -1. If isotopic values of selected benthic foraminifera are equilibrium with surrounding values. These distributions indicate transitional between coastal environment affected by fresh water and open marine environment. (author). 24 refs., 8 tabs., 25 figs.

QuaBingo: A Prediction System for Protein Quaternary Structure Attributes Using Block Composition

Directory of Open Access Journals (Sweden)

Chi-Hua Tung

2016-01-01

Full Text Available Background. Quaternary structures of proteins are closely relevant to gene regulation, signal transduction, and many other biological functions of proteins. In the current study, a new method based on protein-conserved motif composition in block format for feature extraction is proposed, which is termed block composition. Results. The protein quaternary assembly states prediction system which combines blocks with functional domain composition, called QuaBingo, is constructed by three layers of classifiers that can categorize quaternary structural attributes of monomer, homooligomer, and heterooligomer. The building of the first layer classifier uses support vector machines (SVM based on blocks and functional domains of proteins, and the second layer SVM was utilized to process the outputs of the first layer. Finally, the result is determined by the Random Forest of the third layer. We compared the effectiveness of the combination of block composition, functional domain composition, and pseudoamino acid composition of the model. In the 11 kinds of functional protein families, QuaBingo is 23% of Matthews Correlation Coefficient (MCC higher than the existing prediction system. The results also revealed the biological characterization of the top five block compositions. Conclusions. QuaBingo provides better predictive ability for predicting the quaternary structural attributes of proteins.

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

Synthesis of Main-Chain Chiral Quaternary Ammonium Polymers for Asymmetric Catalysis Using Quaternization Polymerization

Directory of Open Access Journals (Sweden)

Md. Masud Parvez

2012-06-01

Full Text Available Main-chain chiral quaternary ammonium polymers were successfully synthesized by the quaternization polymerization of cinchonidine dimer with dihalides. The polymerization occurred smoothly under optimized conditions to give novel type of main-chain chiral quaternary ammonium polymers. The catalytic activity of the polymeric chiral organocatalysts was investigated on the asymmetric benzylation of N-(diphenylmethylideneglycine tert-butyl ester.

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

Carbon dynamics in a Late Quaternary-age coastal limestone aquifer system undergoing saltwater intrusion.

Science.gov (United States)

Bryan, Eliza; Meredith, Karina T; Baker, Andy; Andersen, Martin S; Post, Vincent E A

2017-12-31

This study investigates the inorganic and organic aspects of the carbon cycle in groundwaters throughout the freshwater lens and transition zone of a carbonate island aquifer and identifies the transformation of carbon throughout the system. We determined 14 C and 13 C carbon isotope values for both DIC and DOC in groundwaters, and investigated the composition of DOC throughout the aquifer. In combination with hydrochemical and 3 H measurements, the chemical evolution of groundwaters was then traced from the unsaturated zone to the deeper saline zone. The data revealed three distinct water types: Fresh (F), Transition zone 1 (T1) and Transition zone 2 (T2) groundwaters. The 3 H values in F and T1 samples indicate that these groundwaters are mostly modern. 14 C DOC values are higher than 14 C DIC values and are well correlated with 3 H values. F and T1 groundwater geochemistry is dominated by carbonate mineral recrystallisation reactions that add dead carbon to the groundwater. T2 groundwaters are deeper, saline and characterised by an absence of 3 H, lower 14 C DOC values and a different DOC composition, namely a higher proportion of Humic Substances relative to total DOC. The T2 groundwaters are suggested to result from either the slow circulation of water within the seawater wedge, or from old remnant seawater caused by past sea level highstands. While further investigations are required to identify the origin of the T2 groundwaters, this study has identified their occurrence and shown that they did not evolve along the same pathway as fresh groundwaters. This study has also shown that a combined approach using 14 C and 13 C carbon isotope values for both DIC and DOC and the composition of DOC, as well as hydrochemical and 3 H measurements, can provide invaluable information regarding the transformation of carbon in a groundwater system and the evolution of fresh groundwater recharge. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

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

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.

First-principles study of new quaternary Heusler compounds without 3d transition metal elements: ZrRhHfZ (Z = Al, Ga, In)

Energy Technology Data Exchange (ETDEWEB)

Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Liying [Department of Physics, Tianjin University, Tianjin 300350 (China); Yu, Zheyin [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

2017-06-01

Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, and the magnetic and half-metallic properties of the newly designed quaternary Heusler compounds ZrRhHfZ (Z = Al, Ga, In) without 3d transition metal elements. The calculated results show that ZrRhHfZ (Z = Al, Ga, In) compounds are half-metallic, with 100% spin polarization around the Fermi level. The structural stability of these compounds has been tested from the aspects of their cohesion energy and formation. The spin-flip/half-metallic gaps of ZrRhHfZ (Z = Al, Ga, In) compounds are quite large, with values of 0.2548 eV, 0.3483 eV, and 0.2866 eV, respectively. These compounds show Slater-Pauling behavior, and the total spin magnetic moment per unit cell (M{sub t}) scales with the total number of valence electrons (Z{sub t}) following the rule: M{sub t} = Z{sub t} - 18. The magnetization of ZrRhHfZ (Z = Al, Ga, In) compounds mainly comes from the 4d electrons of the Zr atoms and the 5d electrons of the Hf atoms. Furthermore, the effects of uniform strain and tetragonal deformation on the half metallicity has been investigated in detail, which is important for practical application. Finally, we reveal that the half-metallicity can be maintained when the Coulomb interactions are considered. - Highlights: • New quaternary compounds without 3d transition metal elements have been designed. • The electronic structures and magnetism of the ZrRhHfZ compounds have been studied. • The effect of strain on the half-metallic behavior has been tested. • The effect of the Coulomb interactions on the half-metallicity has been investigated.

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)

Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

KAUST Repository

Alahmary, Fatimah S.

2014-05-01

The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4-tetrahedral building blocks and metals gives rise to a broad structural variety where approximately one third of all known ternary (A/P/S) and quaternary (A/M/P/S) (A = alkali metal, M = metal) structures are acentric and potential nonlinear optical materials. The molten alkali metal polychalcophosphate fluxes are a well-established method for the synthesis of new ternary and quaternary thiophosphate and selenophosphate compounds. It has been a wide field of study and investigation through the last two decades. Here, the flux method is used for the synthesis of new quaternary phases containing Rb, Ag, P and S. Four new alkali metal thiophosphates, Rb4P2S10, RbAg5(PS4), Rb2AgPS4 and Rb3Ag9(PS4)4, have been synthesized successfully from high purity elements and binary starting materials. The new compounds were characterized by single crystal and powder X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), ultraviolet-visible (UV-VIS), Raman spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). These compounds show interesting structural variety and physical properties. The crystal structures feature 3D anionic framework built up of PS4 tetrahedral units and charge balanced by Ag and alkali metal cations. All prepared compounds are semiconductors with band gap between 2.3 eV to 2.6 eV and most of them are thermally stable up to 600ºC.

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

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.

Quaternary Geologic Map of the Lake Superior 4° x 6° Quadrangle, United States and Canada

Data.gov (United States)

Department of the Interior — The Quaternary Geologic Map of the Lake Superior 4° x 6° Quadrangle was mapped as part of the Quaternary Geologic Atlas of the United States. The atlas was begun as...

Study on Quaternary ground siting of nuclear power plant, (1)

International Nuclear Information System (INIS)

Kokusho, Takaji; Nishi, Koichi; Honsho, Shizumitsu

1991-01-01

A seismic stability evaluation method for a nuclear power plant to be located on a Quaternary sandy/gravelly ground is discussed herein in terms of the geological and geotechnical survey, design earthquake motion evaluation and geotechnical seismic stability analyses. The geological and geotechnical exploration tunnel in the rock-foundation siting will be difficult in the Quaternary ground siting. Boring, geophysical surveys and soil samplings will play a major role in this case. The design earthquake input spectrum for this siting is proposed so as to take account the significant effect of longer period motion on the ground stability. Equivalent and non-linear analyses demonstrate the seismic stability of the foundation ground so long as the soil density is high. (author)

Three series of quaternary rare-earth transition-metal pnictides with CaAl{sub 2}Si{sub 2}-type structures: RECuZnAs{sub 2}, REAgZnP{sub 2}, and REAgZnAs{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Stoyko, Stanislav S.; Ramachandran, Krishna K.; Blanchard, Peter E.R. [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada); Rosmus, Kimberly A.; Aitken, Jennifer A. [Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA 15282 (United States); Mar, Arthur, E-mail: arthur.mar@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta, Canada T6G 2G2 (Canada)

2014-05-01

Three series of quaternary rare-earth transition-metal pnictides REMM′Pn{sub 2} (M=Cu, Ag; M′=Zn; Pn=P, As) have been prepared by reaction of the elements at 800 °C, with crystal growth promoted through the addition of iodine. The extent of RE substitution is broad in these series: RECuZnAs{sub 2} (RE=Y, La-Nd, Sm, Gd–Lu), REAgZnP{sub 2} (RE=La–Nd, Sm, Gd–Dy), and REAgZnAs{sub 2} (RE=La-Nd, Sm, Gd-Dy). Powder and single-crystal X-ray diffraction analysis revealed that they adopt the trigonal CaAl{sub 2}Si{sub 2}-type structure (space group P3{sup ¯}m1, Z=1), in which Cu or Ag atoms are disordered with Zn atoms over the unique tetrahedrally coordinated transition-metal site. Magnetic measurements indicated Curie–Weiss behavior for several members of the RECuZnAs{sub 2} and REAgZnP{sub 2} series. Core-line X-ray photoelectron spectra (XPS) collected on some RECuZnAs{sub 2} members corroborate the charge assignment deduced by the Zintl concept for these compounds, (RE{sup 3+})(M{sup 1+})(Zn{sup 2+})(Pn{sup 3−}){sub 2}. Optical diffuse reflectance spectra and valence band XPS spectra established that these compounds are small band-gap semiconductors (up to ∼0.8 eV in REAgZnP{sub 2}) or semimetals (RECuZnAs{sub 2}). Band structure calculations also support this electronic structure and indicate that the band gap can be narrowed through appropriate chemical substitution (RE=smaller atoms, M=Cu, and Pn=As). - Graphical abstract: Cu or Ag atoms are disordered with Zn atoms over the tetrahedral site within relatively rigid [M{sub 2}Pn{sub 2}] slabs in three series of quaternary pnictides adopting the CaAl{sub 2}Si{sub 2}-type structure. - Highlights: • Three series (comprising 25 compounds) of pnictides REMM'Pn{sub 2} were prepared. • Cu or Ag atoms are disordered with Zn atoms within relatively rigid [M{sub 2}Pn{sub 2}] slabs. • They are semimetals or small band-gap semiconductors. • RECuZnAs{sub 2} and REAgZnP{sub 2} are generally

Late quaternary faulting along the Death Valley-Furnace Creek fault system, California and Nevada

International Nuclear Information System (INIS)

Brogan, G.E.; Kellogg, K.S.; Terhune, C.L.; Slemmons, D.B.

1991-01-01

The Death Valley-Furnace Creek fault system, in California and Nevada, has a variety of impressive late Quaternary neotectonic features that record a long history of recurrent earthquake-induced faulting. Although no neotectonic features of unequivocal historical age are known, paleoseismic features from multiple late Quaternary events of surface faulting are well developed throughout the length of the system. Comparison of scarp heights to amount of horizontal offset of stream channels and the relationships of both scarps and channels to the ages of different geomorphic surfaces demonstrate that Quaternary faulting along the northwest-trending Furnace Creek fault zone is predominantly right lateral, whereas that along the north-trending Death Valley fault zone is predominantly normal. These observations are compatible with tectonic models of Death Valley as a northwest- trending pull-apart basin

Late Quaternary palaeoenvironmental reconstruction of sediment drift accumulation in the Malta Graben (central Mediterranean Sea)

Science.gov (United States)

Ferraro, Serena; Sulli, Attilio; Di Stefano, Enrico; Giaramita, Luigi; Incarbona, Alessandro; Graham Mortyn, P.; Sprovieri, Mario; Sprovieri, Rodolfo; Tonielli, Renato; Vallefuoco, Mattia; Zizzo, Elisabetta; Tranchida, Giorgio

2018-03-01

The Malta Graben is a deep tectonic depression in the Sicily Channel, bounded by NW-SE normal faults and filled by thick Pliocene-Quaternary deposits. A previous analysis of a giant piston core (LC09) from the Malta Graben had revealed a wide range of sedimentary features (carbonate turbidites, bioturbated mud and scours), although the chronostratigraphic constraint of the stacking pattern has remained elusive. After establishing a reliable chronological framework based on seven radiocarbon dates for a shorter core from the Malta Graben (ANSIC03-735), a down-core analysis of planktonic foraminifer and coccolith abundance, stable isotopes and sediment grain size was carried out. Since the last glacial maximum, palaeoenvironmental conditions (surface fertility and deep chlorophyll maximum during the last glacial and the Younger Dryas; warm and oligotrophic water masses, with a deep nutricline and intense winter mixing during the Holocene) as well as selected calcareous plankton taxa trends and peaks seem to be similar to those reported for other central and western Mediterranean sites, possibly in spite of a unique response of these areas to late Quaternary climatic fluctuations. Four distinct layers, each tens of centimetres thick, are barren of foraminifers but not of coccoliths. Morphobathymetric data as well as new high-resolution and high-penetration seismic profiles show that prolonged contouritic activity has persisted on the western side of the Malta Graben. It is thus likely that layers barren of foraminifers are due to the overflow of fine-grained (clayey) material beyond drift channel dikes.

Late Quaternary palaeoenvironmental reconstruction of sediment drift accumulation in the Malta Graben (central Mediterranean Sea)

Science.gov (United States)

Ferraro, Serena; Sulli, Attilio; Di Stefano, Enrico; Giaramita, Luigi; Incarbona, Alessandro; Graham Mortyn, P.; Sprovieri, Mario; Sprovieri, Rodolfo; Tonielli, Renato; Vallefuoco, Mattia; Zizzo, Elisabetta; Tranchida, Giorgio

2018-06-01

The Malta Graben is a deep tectonic depression in the Sicily Channel, bounded by NW-SE normal faults and filled by thick Pliocene-Quaternary deposits. A previous analysis of a giant piston core (LC09) from the Malta Graben had revealed a wide range of sedimentary features (carbonate turbidites, bioturbated mud and scours), although the chronostratigraphic constraint of the stacking pattern has remained elusive. After establishing a reliable chronological framework based on seven radiocarbon dates for a shorter core from the Malta Graben (ANSIC03-735), a down-core analysis of planktonic foraminifer and coccolith abundance, stable isotopes and sediment grain size was carried out. Since the last glacial maximum, palaeoenvironmental conditions (surface fertility and deep chlorophyll maximum during the last glacial and the Younger Dryas; warm and oligotrophic water masses, with a deep nutricline and intense winter mixing during the Holocene) as well as selected calcareous plankton taxa trends and peaks seem to be similar to those reported for other central and western Mediterranean sites, possibly in spite of a unique response of these areas to late Quaternary climatic fluctuations. Four distinct layers, each tens of centimetres thick, are barren of foraminifers but not of coccoliths. Morphobathymetric data as well as new high-resolution and high-penetration seismic profiles show that prolonged contouritic activity has persisted on the western side of the Malta Graben. It is thus likely that layers barren of foraminifers are due to the overflow of fine-grained (clayey) material beyond drift channel dikes.

Radiocarbon dating for the Quaternary scientist

International Nuclear Information System (INIS)

Pilcher, J.R.

1991-01-01

The accuracy of many conventional and accelerator mass spectrometry (AMS) radiocarbon dates is not adequate for the sort of questions now being asked in Quaternary studies. The need for, and effects of, radiocarbon calibration are discussed and guide-lines offered for the selection of a laboratory. High precision laboratories and the use of wiggle matching will go a long way to answering the critical questions of rates of change and durations of events in the Holocene. (Author)

Late Quaternary sea level and environmental changes from relic ...

Indian Academy of Sciences (India)

R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

Keywords. Late Quaternary sea level; western margin of India; subsidence; uplift; depositional environment. ...... sea level rise by about 80m (between 12,000 and. 7,000 yr BP) or, .... from the Florida Keys; Palaentology 28 189–206. Carballo ...

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

Map showing thickness of saturated Quaternary deposits, Sugar House quadrangle, Salt Lake County, Utah, February 1972

Science.gov (United States)

Mower, R.W.

1973-01-01

Saturated Quaternary deposits in the Sugar Horse quadrangle supply significant quantities of water to wells from which water is withdrawn for domestic, municipal, industrial, and irrigation uses. The deposits consist of clay, silt, sand, and gravel; individual beds range from a few inches to several tens of feet thick. The principal aquifer, which is almost completely within the Quaternary deposits, supplied about 4 percent, or 9,000 acre-feet, of the municipal and industrial water used annually in Salt Lake County during 1964-68.As a general rule, more water is stored and more water will be yielded to a well where aquifers are thicker. This map can be used as a general guide to those areas where greatest amounts of water are stored in the aquifer, and where yields to wells may be greater. Local variations in the ability of saturated deposits to transmit water can alter the general relationship between aquifer thickness and yield of wells.The thickness of saturated Quaternary deposits within the area of the Sugar Horse quadrangle ranges from zero to about 650 feet, as shown on the map. The thickest section of these deposits is near the southwestern corner of the quadrangle, and the thinnest section is along the mountain front adjacent to the approximate eastern limit of saturated Quaternary deposits.The thickness of saturated Quaternary deposits shown on this map is based on drillers’ logs for 55 deep wells (which show the thickness of the Quaternary deposits) and on water-level measurements made in February 1972 in wells in unconfined shallow aquifers.Reports in the following list of selected references contain other information about the saturated Quaternary deposits in this and adjacent parts of Jordan Valley, Utah. The basic-data reports and releases contain well logs, water-level measurements, and other types of basic ground-water data. The interpretive repots contain discussions of the occurrence of ground water, tests to determine hydraulic properties of

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

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

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.

Isotopic and chemical investigations of quaternary aquifer in sinai peninsula

International Nuclear Information System (INIS)

Sadek, M.A.; Ahmed, M.A.; Awad, M.A.

2001-01-01

The present study has been conducted to investigate the renewal activity and mineralization potential of the quaternary aquifer in Sinai peninsula using environmental isotopes and hydrochemistry. The quaternary aquifer is vital for development processes as it has a wide extension and shallow water table. The total dissolved salts vary greatly from one location to another and range widely between 510-7060 mg/1, reflecting all categories from fresh to saline water. The change in salinity all over Sinai can be attributed to variations in the rate of evaporation. Leaching and dissolution of terrestrial salts during floods as well as the effects of sea spray and saline water intrusion. The main sources of groundwater recharge are the infiltration of Local precipitation and surface runoff as well as lateral flow through hydraulic connection with fractured aquifers. Snow melt also contributes to aquifer recharge in some areas in the central part of southern Sinai. The environmental stable isotopic contents of the ground water in the quaternary aquifer in Sinai reflect the isotopic composition of rain water from continental and east Mediterranean precipitation and monsonal air mass which comes from Indian ocean as well as the seepage of partly evaporated floodwater. The southern samples are more suitable for drinking and irrigation purposes due to its lower salinity and sodium hazard

Fossilization of nanobes studied by transmission electron microscopy and constraints related to their population - Recent and Late Quaternary reefbanks (San Salvador Island, The Bahamas; Heron Island, Australia

Czech Academy of Sciences Publication Activity Database

Hladil, Jindřich; Gemperle, Antonín; Carew, J. L.; Bosák, Pavel; Slavík, Ladislav; Pruner, Petr; Charvatova, K.; Mylroie, J. E.; Jell, J. S.

2003-01-01

Roč. 5, Abstracts of the Contributions of the EGS-AGU-EUG Joint Assembly Nice. (2003), s. Abstract Number 05312 ISSN 1029-7006. [EGS-AGU-EUG Joint Assembly. 06.04.2003-11.04.2003, EGS-AGU-EUG Joint Assembly] R&D Projects: GA AV ČR IAA3013209 Institutional research plan: CEZ:AV0Z3013912 Keywords : microbial diagenesis * carbonate platforms * Quaternary Subject RIV: DB - Geology ; Mineralogy http://www.cosis.net/abstracts/EAE03/05312/EAE03-J-05312-1.pdf

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.

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.

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....

Study of ternary and quaternary spontaneous fission of 252Cf with the NESSI detector

International Nuclear Information System (INIS)

Tishchenko, V.G.; Jahnke, U.; Herbach, C.M.; Hilscher, D.

2002-11-01

Ternary and quaternary spontaneous decay of 252 Cf was studied with the NESSI detector, a combination of two 4π detectors for charged particles, neutrons and γ-rays. The applied method of particle identification by measuring the energies and relative time-of-flights of the decay products is shown to be very effective for the study of rare decay modes. The energy and angular distributions of the decay products, the associated neutron multiplicities, the total energy of the prompt γ-radiation as well as correlations between the various observables were measured for the first time in a single full-scale experiment. The characteristics of ternary fission known from previous investigations are confirmed in the frame of a methodically independent experiment. Preliminary estimates of the quaternary fission yield are presented. An attempt is made to determine the mechanism of quaternary fission. (orig.)

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.

Towards dating Quaternary sediments using the quartz Violet Stimulated Luminescence (VSL) signal

DEFF Research Database (Denmark)

Ankjærgaard, C.; Jain, Mayank; Wallinga, J.

2013-01-01

Quaternary sediments using the violet (402 nm) stimulated luminescence (VSL) signal of quartz.We develop and test a new post-blue VSL single aliquot regenerative dose dating protocol, and demonstrate that the VSL signal originates from a deep trap at about 1.9 eV with a thermal lifetime of 1011 years at 10......Quartz optically stimulated luminescence (OSL) dating is widely used to determine the time of deposition and burial of Late Quaternary sediments. Application of the method is usually limited to the past 150,000 years due to early saturation of the OSL signal. Here we explore the potential to date...

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.

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.

Synthesis of quaternary aryl phosphonium salts: photoredox-mediated phosphine arylation.

Science.gov (United States)

Fearnley, A F; An, J; Jackson, M; Lindovska, P; Denton, R M

2016-04-11

We report a synthesis method for the construction of quaternary aryl phoshonium salts at ambient temperature. The regiospecific reaction involves the coupling of phosphines with aryl radicals derived from diaryliodonium salts under photoredox conditions.

Ionic liquids containing symmetric quaternary phosphonium cations and phosphorus-containing anions, and their use as lubricant additives

Science.gov (United States)

Qu, Jun; Luo, Huimin

2018-05-01

An ionic liquid composition having the following generic structural formula: ##STR00001## wherein R1, R2, R3, and R4 are equivalent and selected from hydrocarbon groups containing at least three carbon atoms, and X- is a phosphorus-containing anion, particularly an organophosphate, organophosphonate, or organophosphinate anion, or a thio-substituted analog thereof containing hydrocarbon groups with at least three carbon atoms. Also described are lubricant compositions comprising the above ionic liquid and a base oil, wherein the ionic liquid is dissolved in the base oil. Further described are methods for applying the ionic liquid or lubricant composition onto a mechanical device for which lubrication is beneficial, with resulting improvement in friction reduction, wear rate, and/or corrosion inhibition.

Origin, Extent, and Thickness of Quaternary Geologic Units in the Willamette Valley, Oregon

Science.gov (United States)

O'Connor, Jim E.; Sarna-Wojcicki, Andrei M.; Wozniak, Karl C.; Polette, Danial J.; Fleck, Robert J.

2001-01-01

Stratigraphic and chronologic information collected for Quaternary deposits in the Willamette Valley, Oregon, provides a revised stratigraphic framework that serves as a basis for a 1:250,000-scale map, as well as for thickness estimates of widespread Quaternary geologic units. We have mapped 11 separate Quaternary units that are differentiated on the basis of stratigraphic, topographic, pedogenic, and hydrogeologic properties. In summation, these units reflect four distinct episodes in the Quaternary geologic development of the Willamette Valley: 1) Fluvial sands and gravels that underlie terraces flanking lowland margins and tributary valleys were probably deposited between 2.5 and 0.5 million years ago. They are the oldest widespread surficial Quaternary deposits in the valley. Their present positions and preservation are undoubtedly due to postdepositional tectonic deformation - either by direct tectonic uplift of valley margins, or by regional tectonic controls on local base level. 2) Tertiary and Quaternary excavation or tectonic lowering of the Willamette Valley accommodated as much as 500 m (meters) of lacustrine and fluvial fill. Beneath the lowland floor, much of the upper 10 to 50 m of fill is Quaternary sand and gravel deposited by braided channel systems in subhorizontal sheets 2 to 10 m thick. These deposits grade to gravel fans 40 to 100 m thick where major Cascade Range rivers enter the valley and are traced farther upstream as much thinner valley trains of coarse gravel. The sand and gravel deposits have ages that range from greater than 420,000 to about 12,000 years old. A widely distributed layer of sand and gravel deposited at about 12 ka (kiloannum, thousands of years before the present) is looser and probably more permeable than older sand and gravel. Stratigraphic exposures and drillers' logs indicate that this late Pleistocene unit is mostly between 5 and 20 m thick where it has not been subsequently eroded by the Willamette River and its

Thermodynamics of the hydrogen-carbon-oxygen-tungsten system, as applied to the manufacture of tungsten and tungsten carbide

International Nuclear Information System (INIS)

Schwenke, G.K.

2001-01-01

The thermodynamics of the quaternary hydrogen-carbon oxygen-tungsten system and its binary and ternary sub-systems are reviewed. Published thermodynamic data are evaluated, and expression for free energies of formation are chosen. These expressions are integrated with and equilibrium-calculating algorithm, producing a powerful tool for understanding and improving the manufacture of tungsten and tungsten carbide. Three examples are presented: reduction/carburization of tungstic oxide with hydrogen, carbon, and methane. (author)

Quaternary dating methods

International Nuclear Information System (INIS)

Mahaney, W.C.

1984-01-01

The papers in this book cover absolute, relative and multiple dating methods, and have been written by specialists from a number of different earth sciences disciplines - their common interest being the dating of geological materials within the Quaternary. Papers on absolute dating methods discuss radiocarbon, uranium-series, potassium argon, 40 Ar/ 39 Ar, paleomagnetic, obsidian hydration, thermoluminescence, amino acid racemization, tree rings, and lichenometric techniques. Those on relative dating include discussions on various geomorphic relative age indicators such as drainage density changes, hypsometric integrals, bifurcation ratios, stream junction angles, spur morphology, hillslope geometry, and till sheet characteristics. The papers on multiple dating cite examples from the Rocky Mountains, Australia, Lake Agassiz Basin, and the Southern Andes. Also included is the panel discussion which reviews and assesses the information presented, and a field trip guide which discusses the sequences of Wisconian tills and interlayered lacustrine and fluvial sediments. (orig.)

Thermoelectric properties of quaternary (Bi,Sb)2(Te,Se)3 compound

International Nuclear Information System (INIS)

Lu, Pengfei; Li, Yiluan; Wu, Chengjie; Yu, Zhongyuan; Cao, Huawei; Zhang, Xianlong; Cai, Ningning; Zhong, Xuxia; Wang, Shumin

2014-01-01

Highlights: • Sb and Se spin–orbit coupling play a key role in the band structure. • Substituted Bi/Sb and Te/Se have a limited impact on the transport coefficients. • n-Type doping will be preferred for quaternary (Bi,Sb) 2 (Te,Se) 3 compound. -- Abstract: The quaternary (Bi,Sb) 2 (Te,Se) 3 compounds are investigated using first-principles study and Boltzmann transport theory. The energy band structure and density of states are studied in detail. The electronic transport coefficients are then calculated as a function of chemical potential. The figure of merit ZT is obtained assuming a constant relaxation time and an averaged thermal conductivity. Our theoretical result agrees well with previous experimental data

All-optical conversion scheme: Binary to quaternary and quaternary to binary number

Science.gov (United States)

Chattopadhyay, Tanay; Roy, Jitendra Nath

2009-04-01

To achieve the inherent parallelism in optics a suitable number system and efficient encoding/decoding scheme for handling the data are very much essential. Binary number is accepted as the best representing number system in almost all types of existing electronic computers. But, binary number (0 and 1) is insufficient in respect to the demand of the coming generation. Multi-valued logic (with radix >2) can be viewed as an alternative approach to solve many problems in transmission, storage and processing of large amount of information in digital signal processing. Here, in this paper all-optical scheme for the conversion of binary to quaternary number and vice versa have been proposed and described. Simulation has also been done. In this all-optical scheme the numbers are represented by different discrete polarized state of light.

Quantitative estimates of Asian dust input to the western Philippine Sea in the mid-late Quaternary and its potential significance for paleoenvironment

Science.gov (United States)

Xu, Zhaokai; Li, Tiegang; Clift, Peter D.; Lim, Dhongil; Wan, Shiming; Chen, Hongjin; Tang, Zheng; Jiang, Fuqing; Xiong, Zhifang

2015-09-01

We present a new high-resolution multiproxy data set of Sr-Nd isotopes, rare earth element, soluble iron, and total organic carbon data from International Marine Global Change Study Core MD06-3047 located in the western Philippine Sea. We integrate our new data with published clay mineralogy, rare earth element chemistry, thermocline depth, and δ13C differences between benthic and planktonic foraminifera, in order to quantitatively constrain Asian dust input to the basin. We explore the relationship between Philippine Sea and high-latitude Pacific eolian fluxes, as well as its significance for marine productivity and atmospheric CO2 during the mid-late Quaternary. Three different indices indicate that Asian dust contributes between ˜15% and ˜50% to the detrital fraction of the sediments. Eolian dust flux in Core MD06-3047 is similar to that in the polar southern Pacific sediment. Coherent changes for most dust flux maximum/minimum indicate that dust generation in interhemispheric source areas might have a common response to climatic variation over the mid-late Quaternary. Furthermore, we note relatively good coherence between Asian dust input, soluble iron concentration, local marine productivity, and even global atmospheric CO2 concentration over the entire study interval. This suggests that dust-borne iron fertilization of marine phytoplankton might have been a periodic process operating at glacial/interglacial time scales over the past 700 ka. We suggest that strengthening of the biological pump in the Philippine Sea, and elsewhere in the tropical western Pacific during the mid-late Quaternary glacial periods may contribute to the lowering of atmospheric CO2 concentrations during ice ages.

Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

Science.gov (United States)

Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

2018-04-01

In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

A model of late quaternary landscape development in the Delaware Valley, New Jersey and Pennsylvania

Science.gov (United States)

Ridge, J.C.; Evenson, E.B.; Sevon, W.D.

1992-01-01

In the Delaware Valley of New Jersey and eastern Pennsylvania the late Quaternary history of colluviation, fluvial adjustment, and soil formation is based on the ages of pre-Wisconsinan soils and glacial deposits which are indicated by feld relationships and inferred from mid-latitude climate changes indicated by marine oxygen-isotope records. The area is divided into four terranes characterized by sandstone, gneiss, slate and carbonate rocks. Since the last pre-Wisconsinan glaciation (> 130 ka, inferred to be late Illinoian), each terrane responded differently to chemical and mechanical weathering. During the Sangamon interglacial stage (??? 130-75 ka) in situ weathering is inferred to have occurred at rates greater than transportation of material which resulted in the formation of deep, highly weathered soil and saprolite, and dissolution of carbonate rocks. Cold climatic conditions during the Wisconsinan, on the other hand, induced erosion of the landscape at rates faster than soil development. Upland erosion during the Wisconsinan removed pre-Wisconsinan soil and glacial sediment and bedrock to produce muddy to blocky colluvium, gre??zes lite??es, and alluvial fans on footslopes. Fluvial gravel and overlying colluvium in the Delaware Valley, both buried by late Wisconsinan outwash, are inferred to represent episodes of early and middle Wisconsinan (??? 75-25 ka) upland erosion and river aggradiation followed by river degradation and colluvium deposition. Early-middle Wisconsinan colluvium is more voluminous than later colluvium despite colder, possibly permafrost conditions during the late Wisconsinan ??? 25-10 ka). Extensive colluviation during the early and middle Wisconsinan resulted from a longer (50 kyr), generally cold interval of erosion with a greater availability of easily eroded pre-Wisconsinan surficial materials on uplands than during the late Wisconsinan. After recession of late Wisconsinan ice from its terminal position, soil formation and

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.

High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

Energy Technology Data Exchange (ETDEWEB)

Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A. [Instituto Leloir, Buenos Aires (Argentina); Braden, B.C. [Bowie State Univ., Maryland (United States)

2004-07-01

The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

High order quaternary arrangement confers increased structural stability to Brucella Spp. lumazine synthase

International Nuclear Information System (INIS)

Zylberman, V.; Craig, P.O.; Klinke, S.; Cauerhff, A.; Goldbaum, F.A.; Braden, B.C.

2004-01-01

The penultimate step in the pathway of riboflavin biosynthesis is catalyzed by the enzyme lumazine synthase (LS). One of the most distinctive characteristics of this enzyme is the structural quaternary divergence found in different species. The protein exists as pentameric and icosahedral forms, built from practically the same structural monomeric unit. The pentameric structure is formed by five 18 kDa monomers, each extensively contacting neighboring monomers. The icosahedral structure consists of 60 LS monomers arranged as twelve pentamers giving rise to a capsid exhibiting icosahedral 532 symmetry. In all lumazine synthases studied, the topologically equivalent active sites are located at the interfaces between adjacent subunits in the pentameric modules. The Brucella spp. lumazine synthase (BLS) sequence clearly diverges from pentameric and icosahedral enzymes. This unusual divergence prompted to further investigate on its quaternary arrangement. In the present work, we demonstrate by means of solution Light Scattering and X-ray structural analyses that BLS assembles as a very stable dimer of pentamers representing a third category of quaternary assembly for lumazine synthases. We also describe by spectroscopic studies the thermodynamic stability of this oligomeric protein, and postulate a mechanism for dissociation/unfolding of this macromolecular assembly. The higher molecular order of BLS increases its stability 20 deg C compared to pentameric lumazine synthases. The decameric arrangement described in this work highlights the importance of quaternary interactions in the stabilization of proteins. (author)

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.

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)

Mechanical and bio-corrosion properties of quaternary Mg–Ca–Mn–Zn alloys compared with binary Mg–Ca alloys

International Nuclear Information System (INIS)

Bakhsheshi-Rad, H.R.; Idris, M.H.; Abdul-Kadir, M.R.; Ourdjini, A.; Medraj, M.; Daroonparvar, M.; Hamzah, E.

2014-01-01

Highlights: • Quaternary alloy show better mechanical and corrosion properties than binary alloy. • Mg–2Ca–0.5Mn–2Zn alloy showed suitable mechanical properties for bone application. • The improved corrosion resistance with addition of Mn and Zn into the Mg–Ca alloy. • Formation of protective surface film Mn-containing magnesium on quaternary alloy. • Secondary phases have strong effect on micro-galvanic corrosion of Mg alloys. - Abstract: Binary Mg–xCa alloys and the quaternary Mg–Ca–Mn–xZn were studied to investigate their bio-corrosion and mechanical properties. The surface morphology of specimens was characterized by X-ray diffraction (XRD), Fourier-transformed infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). The results of mechanical properties show that the yield strength (YS), ultimate tensile strength (UTS) and elongation of quaternary alloy increased significantly with the addition of zinc (Zn) up to 4 wt.%. However, further addition of Zn content beyond 4 wt.% did not improve yield strength and ultimate tensile strength. In contrast, increasing calcium (Ca) content has a deleterious effect on binary Mg–Ca alloys. Compression tests of the magnesium (Mg) alloys revealed that the compression strength of quaternary alloy was higher than that of binary alloy. However, binary Mg–Ca alloy showed higher reduction in compression strength after immersion in simulated body fluid. The bio-corrosion behaviour of the binary and quaternary Mg alloys were investigated using immersion tests and electrochemical tests. Electrochemical tests shows that the corrosion potential (E corr ) of binary Mg–2Ca significantly shifted toward nobeler direction from −1996.8 to −1616.6 mV SCE with the addition of 0.5 wt.% manganese (Mn) and 2 wt.% Zn content. However, further addition of Zn to 7 wt.% into quaternary alloy has the reverse effect. Immersion tests show that the quaternary

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

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)

Quaternary climate changes explain diversity among reptiles and amphibians

DEFF Research Database (Denmark)

Bastos Araujo, Miguel; Nogués-Bravo, David; Diniz-Filho, Alexandre F.

2008-01-01

debated without reaching consensus. Here, we test the proposition that European species richness of reptiles and amphibians is driven by climate changes in the Quaternary. We find that climate stability between the Last Glacial Maximum (LGM) and the present day is a better predictor of species richness...

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.

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

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

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 %.

Characteristics of newly found Quaternary fault, southern Korea, and its tectonic implication

Science.gov (United States)

Lee, Y.; Kim, M. C.; Cheon, Y.; Ha, S.; Kang, H. C.; Choi, J. H.; Son, M.

2017-12-01

This study introduces the detailed geometry and kinematics of recently found Quaternary fault in southern Korea, named Seooe Fault, and discusses its tectonic implication through a synthetic analysis with previous studies. The N-S striking Seooe Fault shows a top-to-the-east thrust geometry and cuts the Cretaceous Goseong Formation and overlying Quaternary deposits, and its slip senses and associated minor folds in the hanging wall indicate an E-W compressional stress. The age of the lower part of the Quaternary deposits obtained by OSL dating indicates that the last movement of the fault occurred after 61 60 ka. Arcuate geometry of the main fault showing an upward decreasing dip-angle, reverse offset of the fault breccias, and reverse-sense indicators observed on neighboring N-S striking high-angle fractures indicate that this Quaternary fault was produced by the reactivation of pre-existing fault under E-W compressional stress field. Using the apparent vertical displacement of the fault and the attitudes of cutting slope and main fault surface, its minimum net displacement is calculated as 2.17 m. When the value is applied to the empirical equation of maximum displacement - moment earthquake magnitude (Mw), the magnitude is estimated to reach about 6.7, assuming that this displacement was due to one seismic event. Most of the Quaternary faults in southern Korea are observed along major inherited fault zones, and their geometry and kinematics indicate that they were reactivated under ENE-WSW or E-W compressional stress field, which is concordant with the characteristics of the Seooe Fault. In addition, focal mechanism solutions and geotechnical in-situ stress data in and around the Korean peninsula also support the current ENE-WSW or E-W regional compression. On the basis of the regional stress trajectories in and around East Asia, the current stress field in Korean peninsula is interpreted to have resulted from the cooperation of westward shallow subduction of

The Heidelberg Basin Drilling Project - Sedimentology and Stratigraphy of the Quaternary succession

Science.gov (United States)

Ellwanger, Dietrich; Gabriel, Gerald; Hahne, Jürgen; Hoselmann, Christian; Menzies, John; Simon, Theo; Weidenfeller, Michael; Wielandt-Schuster, Ulrike

2010-05-01

Within the context of the Heidelberg Basin Drilling Project (Gabriel et al. 2008), a detailed sediment succession is presented here based upon deep drillings taken at Heidelberg UniNord and Mannheim Käfertal. Sediment structures, and micromorphological and pollen analyses were conducted and used to reconsider some of the climate transitions within the lower Pleistocene. A new and novel scenario is postulated regarding the preservation of Quaternary sediment packages within the Cenozoic Graben environment of the Heidelberg basin. The palynological evidence comprises the periods of warm climate of the Holsteinian (mainly Abies (fir), some Fagus (beech), Pterocarya & Azolla); the Cromerian (Pinus-Picea-QM (pine-spruce-QM)); the Bavelian (Abies, Tsuga (hemlock fir), QM & phases of increased NAP including Pinus); the Waalian (Abies, Tsuga, QM); and the Tiglian (Fagus & early Pleistocene taxa especially Sciadopytis, downward increasing Tertiary taxa). The sediment package was studied both macroscopically and microscopically. Both techniques provide evidence of fluvial, lacustrine and mass movement sedimentary processes. Some include evidence of periglacial processes (silt droplets within fine grained sands indicative of frozen ground conditions). The periglacial structures are often, not always, accompanied by pollen spectra dominated by pine and NAP. E.g. the Tiglian part of the succession shows periglacial sediment structures at its base and top but not in its middle sections. I.e. it appears not as a series of warm and cold phases but rather as a constant warm period with warm-cold-alternations at its bottom and top. All results illustrate sediment preservation in the Heidelberg basin almost throughout the Quaternary. This may be due to tectonic subsidence, but also to compaction by sediment loading of underlying fine sediments (Oligocene to Quaternary) leading to incomplete but virtually continuous sediment preservation (Tanner et al. 2009). References Gabriel, G

Maltose-neopentyl glycol (MNG) amphiphiles for solubilization, stabilization and crystallization of membrane proteins

OpenAIRE

Chae, Pil Seok; Rasmussen, Søren G. F.; Rana, Rohini; Gotfryd, Kamil; Chandra, Richa; Goren, Michael A.; Kruse, Andrew C.; Nurva, Shailika; Loland, Claus J.; Pierre, Yves; Drew, David; Popot, Jean-Luc; Picot, Daniel; Fox, Brian G.; Guan, Lan

2010-01-01

The understanding of integral membrane protein (IMP) structure and function is hampered by the difficulty of handling these proteins. Aqueous solubilization, necessary for many types of biophysical analysis, generally requires a detergent to shield the large lipophilic surfaces displayed by native IMPs. Many proteins remain difficult to study owing to a lack of suitable detergents. We introduce a class of amphiphiles, each of which is built around a central quaternary carbon atom derived from...

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

QUATERNARY HISTORY OF CEDRUS IN SOUTHERN EUROPE

Directory of Open Access Journals (Sweden)

D. Magri

2012-05-01

Full Text Available A database of 68 pollen records of Pleistocene age was compiled from the western Mediterranean regions, with the aim of reconstructing the history of Cedrus in south Europe during the last 2 Ma. Marine pollen records from the Alboran Sea suggest that Cedrus was present in Morocco throughout the Quaternary, while it was absent from the Iberian peninsula, except a possible local presence in a coastal site of southern Spain. In France, Cedrus pollen was recorded in Pliocene deposits, but its Quaternary finds are always very sparse and suggest a long distance origin of cedar pollen. Cedrus was widespread in all the Italian sites during the Early Pleistocene, but it is sporadically found in the Middle Pleistocene deposits. Although times and modes of the disappearance of Cedrus from Italy are not known, it appears that the marked climate changes occurred between 0.9 and 0.7 Ma determined its local extinction. A similar trend is found in Greece, where Cedrus may have persisted a little longer than in the Italian Peninsula. On the whole, the history of Cedrus in southern Europe indicates that it is a taxon vulnerable to global climate changes and warns of a future risk of extinction also in the rest of the Mediterranean Basin.

Quaternary magnetic excursions recorded in marine sediments.

Science.gov (United States)

Channell, J. E. T.

2017-12-01

This year is the golden (50th) anniversary of the first documentation of a magnetic excursion, the Laschamp excursion in volcanics from the Chaine des Puys (Bonhommet and Babkine, 1967). The first recording of an excursion in sediments was from the Blake Outer Ridge (Smith and Foster, 1969). Magnetic excursions are directional aberrations of the geomagnetic field apparently involving short-lived reversal of the main dipole field. They have durations of a few kyrs, and are therefore rarely recorded in sediments with mean sedimentation rates Palma), and 670 ka (Osaka Bay), implying at least 11 excursions in the Brunhes Chron. For the Matuyama Chron, excursions have been recorded in marine sediments at 868 ka (Kamikatsura?), 932 ka (Santa Rosa), 1051 ka (Intra-Jaramillo), 1115 ka (Punaruu), 1255 ka (Bjorn), 1476 ka (Gardar), 1580 ka (Gilsa), and 2737 ka (Porcupine). Excursions coincide with minima in relative paleointensity (RPI) records. Ages are from correlation of excursion records to oxygen isotope records in the same cores, and ice-volume calibration of the oxygen isotope template. The marine sediment record of excursions, combined with independent documentation of excursions in lavas with Ar/Ar age control, is progressively strengthening our knowledge of the excursion inventory in the Quaternary, and enhancing the importance of excursions and RPI in Quaternary stratigraphy.

A multi-disciplinary review of late Quaternary palaeoclimates and environments for Lesotho

Directory of Open Access Journals (Sweden)

Jennifer M. Fitchett

2016-07-01

Full Text Available Lesotho provides a unique context for palaeoclimatic research. The small country is entirely landlocked by South Africa, yet has considerable variation in topography, climate, and associated vegetation over an approximate east-west transect. The region has been of archaeological interest for over a century, and hosts many Early to Late Stone Age sites with occupation preceding 80 000 years before present. The eastern Lesotho highlands are of interest to periglacial and glacial geomorphologists because of their well-preserved relict landforms and contentious evidence for permafrost and niche glaciation during the late Quaternary. However, continuous proxy records for palaeoenvironmental reconstructions for Lesotho are scarce and hampered by a range of methodological shortfalls. These challenges include uncertain ages, poor sampling resolution, and proxies extracted from archaeological excavations for which there may be bias in selection. Inferences on palaeoclimates are thus based predominantly on archaeological and palaeogeomorphological evidence for discrete periods during the late Quaternary. This review paper presents a more detailed multidisciplinary synthesis of late Quaternary conditions in Lesotho. We simultaneously considered the varying data that contribute to the under-studied palaeoenvironmental record for southern Africa. The collective palaeoenvironmental data for eastern Lesotho were shown to be relatively contradictory, with considerable variations in contemporaneous palaeoclimatic conditions within the study area. We argue that although methodological challenges may contribute to this variation, the marked changes in topography result in contrasting late Quaternary palaeoenvironments. Such environments are characterised by similar contrasting microclimates and niche ecologies as are witnessed in the contemporary landscape. These spatial variations within a relatively small landlocked country are of importance in understanding

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

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)

Synthesis of inulin derivatives with quaternary phosphonium salts and their antifungal activity.

Science.gov (United States)

Chen, Yuan; Tan, Wenqiang; Li, Qing; Dong, Fang; Gu, Guodong; Guo, Zhanyong

2018-03-13

Inulin is a kind of renewable and biodegradable carbohydrate with good water solubility and numerous physiological functions. For further utilization of inulin, chemical modification can be applied to improve its bioactivities. In this paper, five novel inulin derivatives were synthesized via chemical modification with quaternary phosphonium salt. Their antifungal activity against three kinds of plant pathogens including Colletotrichum lagenarium, Phomopsis asparagi, and Fusarium oxysporum was assessed with radial growth assay in vitro. Results revealed that all the inulin derivatives exhibited improved antifungal activity compared with inulin. Particularly, inulin modified with triphenylphosphine (TPhPAIL) exhibited the best antifungal activity with inhibitory indices of 80.0%, 78.8%, and 87.4% against Colletotrichum lagenarium, Phomopsis asparagi, and Fusarium oxysporum at 1.0mg/mL respectively. The results clearly showed that chemical modification of inulin with quaternary phosphonium salt could efficiently improve derivatives' antifungal activity. Further analysis of results indicated that the antifungal activity was influenced by alkyl chain length or electron-withdrawing ability of the grafted quaternary phosphonium salts. Longer alkyl chain lengths or the stronger electron-withdrawing groups would lead to enhanced antifungal efficacy. Copyright © 2018 Elsevier B.V. All rights reserved.

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

Quaternary alluvial stratigraphy and palaeoclimatic reconstruction at the Thar margin

DEFF Research Database (Denmark)

Jain, M.; Tandon, S.K.

2003-01-01

Quaternary alluvial record at the Thar desert margin has been examined using the exposed succession along Mahudi, Sabarmati river, Western India. Different alluvial facies, their associations and granulometry have been studied for palaeoenvironmental reconstruction. Clay mineral indices smectite/...

Nano-sized quaternary CuGa2In3S8 as an efficient photocatalyst for solar hydrogen production

KAUST Repository

Kandiel, Tarek; Anjum, Dalaver H.; Takanabe, Kazuhiro

2014-01-01

The synthesis of quaternary metal sulfide (QMS) nanocrystals is challenging because of the difficulty to control their stoichiometry and phase structure. Herein, quaternary CuGa2In3S8 photocatalysts with a primary particle size of ≈4nm

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.

Electron paramagnetic resonance: A new method of quaternary dating

International Nuclear Information System (INIS)

Poupeau, G.; Rossi, A.; Teles, M.M.; Danon, J.

1984-01-01

Significant progress has occurred in the last years in quaternary geochronology. One of this is the emergence of a new dating approach, the Electron Spin Resonance Method. The aim of this paper is to briefly review the method and discuss some aspects of the work at CBPF. (Author) [pt

Electron paramagnetic resonance: a new method of quaternary dating

International Nuclear Information System (INIS)

Poupeau, G.; Rossi, A.; Universidade Federal Rural do Rio de Janeiro; Telles, M.; Danon, J.

1984-01-01

Significant progress has occurred in the last years in quaternary geochronology. One of this is the emergence of a new dating approach, the Electron Spin Resonance Method. The aim of this paper is to briefly review the method and discuss some aspects of the work at CBPF. (Author) [pt

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

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.

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.

KPF{sub 6} dissolved in propylene carbonate as an electrolyte for activated carbon/graphite capacitors

Energy Technology Data Exchange (ETDEWEB)

Wang, Hongyu [State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin Street, Changchun 130022 (China); Yoshio, Masaki [Advanced Research Center, Saga University, 1341 Yoga-machi, Saga 840-0047 (Japan)

2010-02-15

KPF{sub 6} dissolved in propylene carbonate (PC) has been proposed as an electrolyte for activated carbon (AC)/graphite capacitors. The electrochemical performance of AC/graphite capacitor has been tested in XPF{sub 6}-PC or XBF{sub 4}-PC electrolytes (X stands for alkali or quaternary alkyl ammonium cations). The AC/graphite capacitor using KPF{sub 6}-PC electrolyte shows an excellent cycle-ability compared with other electrolytes containing alkali ions. The big decomposition of the PC solvent at the AC negative electrode is considerably suppressed in the case of KPF{sub 6}-PC, which fact has been correlated with the mild solvation of K{sup +} by PC solvent. The relationship between the ionic radius of cation and the corresponding specific capacitance of AC negative electrode also proves that PC-solvated K{sup +} ions are adsorbed on AC electrode instead of naked K{sup +} ions. (author)

Characterization of Quaternary and suspected Quaternary faults, Amargosa area, Nevada and California

International Nuclear Information System (INIS)

Anderson, R.E.; Crone, A.J.; Machette, M.N.; Bradley, L.A.; Diehl, S.F.

1995-01-01

This report presents the results of geologic studies that help define the Quaternary history of selected faults in the region around Yucca Mountain, Nevada. These results are relevant to the seismic-design basis of a potential nuclear waste repository at Yucca Mountain. The relevancy is based, in part, on a need for additional geologic data that became apparent in ongoing studies by S. Pezzopane (written commun., 1995) that resulted in the identification of 51 relevant and potentially relevant (see appendix A for definitions) individual and compound faults and fault zones in the 100-km-radius region around the Yucca Mountain site. These structures were divided into local and regional categories by Pezzopane (1995); this report deals with selected regional structures. In this introduction, the authors outline the scope and strategy of the studies and the tectonic environment of the studied structures

Characterization of Quaternary and suspected Quaternary faults, Amargosa area, Nevada and California

Energy Technology Data Exchange (ETDEWEB)

Anderson, R.E.; Crone, A.J.; Machette, M.N.; Bradley, L.A.; Diehl, S.F.

1995-12-31

This report presents the results of geologic studies that help define the Quaternary history of selected faults in the region around Yucca Mountain, Nevada. These results are relevant to the seismic-design basis of a potential nuclear waste repository at Yucca Mountain. The relevancy is based, in part, on a need for additional geologic data that became apparent in ongoing studies by S. Pezzopane (written commun., 1995) that resulted in the identification of 51 relevant and potentially relevant (see appendix A for definitions) individual and compound faults and fault zones in the 100-km-radius region around the Yucca Mountain site. These structures were divided into local and regional categories by Pezzopane (1995); this report deals with selected regional structures. In this introduction, the authors outline the scope and strategy of the studies and the tectonic environment of the studied structures.

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.

Peptides derivatized with bicyclic quaternary ammonium ionization tags. Sequencing via tandem mass spectrometry.

Science.gov (United States)

Setner, Bartosz; Rudowska, Magdalena; Klem, Ewelina; Cebrat, Marek; Szewczuk, Zbigniew

2014-10-01

Improving the sensitivity of detection and fragmentation of peptides to provide reliable sequencing of peptides is an important goal of mass spectrometric analysis. Peptides derivatized by bicyclic quaternary ammonium ionization tags: 1-azabicyclo[2.2.2]octane (ABCO) or 1,4-diazabicyclo[2.2.2]octane (DABCO), are characterized by an increased detection sensitivity in electrospray ionization mass spectrometry (ESI-MS) and longer retention times on the reverse-phase (RP) chromatography columns. The improvement of the detection limit was observed even for peptides dissolved in 10 mM NaCl. Collision-induced dissociation tandem mass spectrometry of quaternary ammonium salts derivatives of peptides showed dominant a- and b-type ions, allowing facile sequencing of peptides. The bicyclic ionization tags are stable in collision-induced dissociation experiments, and the resulted fragmentation pattern is not significantly influenced by either acidic or basic amino acid residues in the peptide sequence. Obtained results indicate the general usefulness of the bicyclic quaternary ammonium ionization tags for ESI-MS/MS sequencing of peptides. Copyright © 2014 John Wiley & Sons, Ltd.

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

Quaternary allostratigraphy of surficial deposit map units at Yucca Mountain, Nevada: A progress report

International Nuclear Information System (INIS)

Lundstrom, S.C.; Wesling, J.R.; Swan, F.H.; Taylor, E.M.; Whitney, J.W.

1993-01-01

Surficial geologic mapping at Yucca Mountain, Nevada, is relevant to site characterization studies of paleoclimate, tectonics, erosion, flood hazards, and water infiltration. Alluvial, colluvial, and eolian allostratigraphic map units are defined on the basis of age-related surface characteristics and soil development, as well as lithology and sedimentology indicative of provenance and depositional mode. In gravelly alluvial units, which include interbedded debris flows, the authors observe a useful qualitative correlation between surface and soil properties. Map units of estimated middle Pleistocene age typically have a well-developed, varnished desert pavement, and minimal erosional and preserved depositional microrelief, associated with a soil with a reddened Bt horizon and stage 3 carbonate and silica morphology. Older units have greater erosional relief, an eroded argillic horizon and stage 4 carbonate morphology, whereas younger units have greater preservation of depositional morphology, but lack well-developed pavements, rock varnish, and Bt and Kqm soil horizons. Trench and gully-wall exposures show that alluvial, colluvial and eolian dominated surface units are underlain by multiple buried soils separating sedimentologically similar deposits; this stratigraphy increases the potential for understanding the long-term Quaternary paleoenvironmental history of Yucca Mountain. Age estimates for allostratigraphic units, presently based on uranium-trend dating and regional correlation using soil development, will be further constrained by ongoing dating studies that include tephra identification, uranium-series disequilibrium, and thermoluminescence methods

Quaternary climatic variability in the Tarat aquifer (Arlit, Niger)

International Nuclear Information System (INIS)

Dodo, A.; Zuppi, G.M.

1999-01-01

The concentration of major elements and environmental isotopes in the Carboniferous (Guezouman and Tarat), Triassic (Teloua) and Quaternary aquifers allows to describe the ground-water flow and to define the upward leakage. 18 O and 2 H in water samples from Guezouman and some Tarat aquifers fall on a regressive line with the equation, δ 2 H (8.01±0.50) δ 18 O + (3.85±3.56), similar to that found for old groundwater in the northern and southern Sahara. The isotopic difference between the Arlit area and the easterly Djado basin groundwater results from the combined effects of continentality and altitude on meteoric waters. The carbon 14 ages, the palaeo-temperatures evaluated from oxygen 18 and nitrate contents in the Tarat aquifer show climatic variations consisting of two humid periods at 10 000 and 30 000 years separated by a warmer period at 25 000. The mean temperatures of the palaeo-recharge, estimated using oxygen 18 data, are 18 deg C during the Holocene, 20 deg C at 25 000 years and 16 deg C at 30 000 years. Water infiltrating during the warming period shows 79 mg L -1 nitrates. High nitrates could be due to an important meteorological event which entrained and stored organic matter from the surface vegetation and soil by infiltration. (authors)

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)

Hydrolysis of cellulose catalyzed by quaternary ammonium perrhenates in 1-allyl-3-methylimidazolium chloride.

Science.gov (United States)

Wang, Jingyun; Zhou, Mingdong; Yuan, Yuguo; Zhang, Quan; Fang, Xiangchen; Zang, Shuliang

2015-12-01

Quaternary ammonium perrhenates were applied as catalyst to promote the hydrolysis of cellulose in 1-allyl-3-methylimidazolium chloride ([Amim]Cl). The quaternary ammonium perrhenates displayed good catalytic performance for cellulose hydrolysis. Water was also proven to be effective to promote cellulose hydrolysis. Accordingly, 97% of total reduced sugar (TRS) and 42% of glucose yields could be obtained under the condition of using 5mol% of tetramethyl ammonium perrhenate as catalyst, 70μL of water, ca. 0.6mmol of microcrystalline cellulose (MCC) and 2.0g of [Amim]Cl as solvent under microwave irradiation for 30min at 150°C (optimal conditions). The influence of quaternary ammonium cation on the efficiency of cellulose hydrolysis was examined based on different cation structures of perrhenates. The mechanism on perrhenate catalyzed cellulose hydrolysis is also discussed, whereas hydrogen bonding between ReO4 anion and hydroxyl groups of cellulose is assumed to be the key step for depolymerization of cellulose. Copyright © 2015. Published by Elsevier Ltd.

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.

Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

Energy Technology Data Exchange (ETDEWEB)

Bainsla, Lakhan, E-mail: lakhanbainsla@gmail.com, E-mail: suresh@phy.iitb.ac.in; Suresh, K. G., E-mail: lakhanbainsla@gmail.com, E-mail: suresh@phy.iitb.ac.in [Magnetic Materials Lab, Department of Physics, Indian Institute of Technology Bombay, Mumbai 400076 (India)

2016-09-15

Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density of states at the Fermi level, the other sub band has a gap. Because of their high Curie temperature (T{sub C}) and tunable electronic structure, HMF Heusler alloys have a special importance among the HMF materials. Full Heusler alloys with the stoichiometric composition X{sub 2}YZ (where X and Y are the transition metals and Z is a sp element) have the cubic L2{sub 1} structure with four interpenetrating fcc sublattices. When each of these four fcc sublattices is occupied by different atoms (XX′YZ), a quaternary Heusler structure with different structural symmetries (space group F-43m, #216) is obtained. Recently, these equiatomic quaternary Heusler alloys (EQHAs) with 1:1:1:1 stoichiometry have attracted a lot of attention due to their superior magnetic and transport properties. A special class of HMF materials identified recently is known as spin gapless semiconductors (SGS). The difference in this case, compared with HMFs, is that the density of states for one spin band is just zero at the Fermi level, while the other has a gap as in the case of HMFs. Some of the reported SGS materials belong to EQHAs family. This review is dedicated to almost all reported materials belonging to EQHAs family. The electronic structure and hence the physical properties of Heusler alloys strongly depend on the degree of structural order and distribution of the atoms in the crystal lattice. A variety of experimental techniques has been used to probe the structural parameters and degree of order in these alloys. Their magnetic properties have been investigated using the conventional methods, while the spin polarization has been probed by point contact Andreev reflection technique. The experimentally obtained values of saturation magnetization are

Quaternary structure of the lactose transport protein of Streptococcus thermophilus in the detergent-solubilized and membrane-reconstituted state

NARCIS (Netherlands)

Friesen, R.H.E.; Poolman, B.; Knol, J.

2000-01-01

The quaternary structure of LacS, the lactose transporter of Streptococcus thermophilus, has been determined for the detergent-solubilized and the membrane-reconstituted state of the protein. The quaternary structure of the n-dodecyl-β-D-maltoside-solubilized state was studied using a combination of

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...

Elimination of the inter-element interferences of iron, gold, molybdenum, tin and antimony when determined in organic solvents by flame atomic absorption spectrometry

International Nuclear Information System (INIS)

Aneva, Zara; Arpadjan, Sonja

1988-01-01

The mutual interferences in the flame atomic absorption spectrometric determination of iron, gold, molybdenum, tin and antimony after their extraction - pre-concentration as chloride complexes from platinum solutions into isobutyl methyl ketone are investigated. It is suggested that the interferences are caused by chemical reactions in the flame and are influenced by the flame characteristics. The possibility of eliminating the interferences by addition of long-chain quaternary ammonium salts is discussed. (author)

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.

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.

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 ...

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

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

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

Analysis of multiple quaternary ammonium compounds in the brain using tandem capillary column separation and high resolution mass spectrometric detection.

Science.gov (United States)

Falasca, Sara; Petruzziello, Filomena; Kretz, Robert; Rainer, Gregor; Zhang, Xiaozhe

2012-06-08

Endogenous quaternary ammonium compounds are involved in various physiological processes in the central nervous system. In the present study, eleven quaternary ammonium compounds, including acetylcholine, choline, carnitine, acetylcarnitine and seven other acylcarnitines of low polarity, were analyzed from brain extracts using a two dimension capillary liquid chromatography-Fourier transform mass spectrometry method. To deal with their large difference in hydrophobicities, tandem coupling between reversed phase and hydrophilic interaction chromatography columns was used to separate all the targeted quaternary ammonium compounds. Using high accuracy mass spectrometry in selected ion monitoring mode, all the compounds could be detected from each brain sample with high selectivity. The developed method was applied for the relative quantification of these quaternary ammonium compounds in three different brain regions of tree shrews: prefrontal cortex, striatum, and hippocampus. The comparative analysis showed that quaternary ammonium compounds were differentially distributed across the three brain areas. The analytical method proved to be highly sensitive and reliable for simultaneous determination of all the targeted analytes from brain samples. Copyright © 2012 Elsevier B.V. All rights reserved.

Acid resistance of quaternary blended recycled aggregate concrete

Directory of Open Access Journals (Sweden)

K Jagannadha Rao

2018-06-01

Full Text Available The possibility of reusing the aggregate from demolished structures in fresh concrete, in order to reduce the CO2 impact on the environment [23] and to preserve natural resources, was explored worldwide and it is established that recycled aggregates can be used as a partial replacement of natural aggregates. Due to its potential to be used in eco-friendly structures and shortage of supply of natural aggregates in some parts of the world, there is an increasing interest in using the recycled aggregate. The durability aspects are also of equal concern along with the strength and economy of any material to be used in the construction. Studies reveal that the behaviour of ternary and quaternary blended concretes is superior from durability point of view compared to conventional concrete. Therefore a study is conducted to assess the acid resistance of recycled aggregate based Quaternary Blended Cement Concrete (QBCC of two grades M40 and M60. Fly ash and silica fume are fixed at 20% and 10% respectively from the previous studies while two percentages of Nano silica (2 and 3% were used along with the cement to obtain QBCC. Three percentages of recycled aggregates as partial replacement of conventional aggregate (0%, 50% and 75% were used in this study. Two different acids (HCL and H2SO4 with different concentrations (3 and 5% were used in this study. Acid resistance of QBCC with Recycled Concrete Aggregate (RCA is assessed in terms of visual appearance, weight loss, and compressive strength loss by destructive and non-destructive tests at regular intervals for a period of 56 days. The test results showed marginal weight loss and strength loss in both M40 and M60 grades of concretes. The Ultrasonic Pulse Velocity (UPV results show that the quality of QBCC is good even after being subjected to acid exposure. Keywords: Recycled concrete aggregate (RCA, Quaternary blended cement concrete (QBCC, Acid resistance, Ultrasonic pulse velocity (UPV, Mineral

Late Quaternary climate change shapes island biodiversity.

Science.gov (United States)

Weigelt, Patrick; Steinbauer, Manuel Jonas; Cabral, Juliano Sarmento; Kreft, Holger

2016-04-07

Island biogeographical models consider islands either as geologically static with biodiversity resulting from ecologically neutral immigration-extinction dynamics, or as geologically dynamic with biodiversity resulting from immigration-speciation-extinction dynamics influenced by changes in island characteristics over millions of years. Present climate and spatial arrangement of islands, however, are rather exceptional compared to most of the Late Quaternary, which is characterized by recurrent cooler and drier glacial periods. These climatic oscillations over short geological timescales strongly affected sea levels and caused massive changes in island area, isolation and connectivity, orders of magnitude faster than the geological processes of island formation, subsidence and erosion considered in island theory. Consequences of these oscillations for present biodiversity remain unassessed. Here we analyse the effects of present and Last Glacial Maximum (LGM) island area, isolation, elevation and climate on key components of angiosperm diversity on islands worldwide. We find that post-LGM changes in island characteristics, especially in area, have left a strong imprint on present diversity of endemic species. Specifically, the number and proportion of endemic species today is significantly higher on islands that were larger during the LGM. Native species richness, in turn, is mostly determined by present island characteristics. We conclude that an appreciation of Late Quaternary environmental change is essential to understand patterns of island endemism and its underlying evolutionary dynamics.

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.

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.

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

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

Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

KAUST Repository

Alahmary, Fatimah S.

2014-01-01

The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4

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)

Study of the influence of pre-activation of vermiculite and concentration of the quaternary ammonium salt in obtaining of organovermiculita

International Nuclear Information System (INIS)

Silva, A.L.; Barboza, E.A.; Souza, F.K.A.; Neves, G.A.; Santana, L.N.L.

2011-01-01

Organoclays, are derived from the addition of quaternary ammonium salts in aqueous dispersions of natural clays or sodium. The aim of this study was to obtain organoclays from the intercalation of clay mineral vermiculite and quaternary ammonium salt Praepagem WB, thus, was used to study the concentrations of salt activation of Na 2 CO 3 , the cure time of this salt and varying the concentration the quaternary ammonium salt. The X-ray diffraction was used to determine whether there was a change in basal spacing after intercalation process with the quaternary ammonium salt. The process of organophilization of vermiculite, was confirmed by change in clay basal interplanar distance, which was 14.32 Å and after the addition of salt increased to 60.04 Å when activated for 5 days. (author)

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

Sputtered tungsten-based ternary and quaternary layers for nanocrystalline diamond deposition.

Science.gov (United States)

Walock, Michael J; Rahil, Issam; Zou, Yujiao; Imhoff, Luc; Catledge, Shane A; Nouveau, Corinne; Stanishevsky, Andrei V

2012-06-01

Many of today's demanding applications require thin-film coatings with high hardness, toughness, and thermal stability. In many cases, coating thickness in the range 2-20 microm and low surface roughness are required. Diamond films meet many of the stated requirements, but their crystalline nature leads to a high surface roughness. Nanocrystalline diamond offers a smoother surface, but significant surface modification of the substrate is necessary for successful nanocrystalline diamond deposition and adhesion. A hybrid hard and tough material may be required for either the desired applications, or as a basis for nanocrystalline diamond film growth. One possibility is a composite system based on carbides or nitrides. Many binary carbides and nitrides offer one or more mentioned properties. By combining these binary compounds in a ternary or quaternary nanocrystalline system, we can tailor the material for a desired combination of properties. Here, we describe the results on the structural and mechanical properties of the coating systems composed of tungsten-chromium-carbide and/or nitride. These WC-Cr-(N) coatings are deposited using magnetron sputtering. The growth of adherent nanocrystalline diamond films by microwave plasma chemical vapor deposition has been demonstrated on these coatings. The WC-Cr-(N) and WC-Cr-(N)-NCD coatings are characterized with atomic force microscopy and SEM, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and nanoindentation.

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.

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

A revision of the Pliocene and Quaternary Lutrinae from Europe

NARCIS (Netherlands)

Willemsen, G.F.

1992-01-01

In this paper, a revision of the Pliocene and Quaternary Lutrinae from Europe is presented. Such a revision, including fossil material, has not been published since the work of Pohle (1919). Three tribes within the Lutrinae are recognized: the Lutrini, the Aonyxini and the Enhydrini. The latter

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.

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)

Pd(II)-Catalyzed Alkylation of Tertiary Carbon via Directing-Group-Mediated C(sp(3))-H Activation: Synthesis of Chiral 1,1,2-Trialkyl Substituted Cyclopropanes.

Science.gov (United States)

Hoshiya, Naoyuki; Takenaka, Kei; Shuto, Satoshi; Uenishi, Jun'ichi

2016-01-04

A Pd(OAc)2-catalyzed alkylation reaction of the tertiary carbon of chiral cyclopropane substrates with alkyl iodides and bromides via C(sp(3))-H activation has been developed. This is an elusive example of a C-H activation-mediated alkylation of tertiary carbon to effectively construct a quaternary carbon center. The alkylation proceeded with various alkyl halides, including those of functional groups, to provide a variety of chiral cis- and trans-1,1,2,-trialkyl substituted cyclopropanes of medicinal chemical importance.

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.

Human Dispersals Along the African Rift Valley in the Late Quaternary

Science.gov (United States)

Tryon, C. A.; Faith, J. T.; Peppe, D. J.

2014-12-01

Climate- and tectonic-driven environmental dynamics of the East African Rift System (EARS) during the Quaternary played an important role in the demographic history of early Homo sapiens, including expansions of modern humans across and out of Africa. Human forager population size, geographic range, and behaviors such as hunting strategies and residential mobility likely varied in response to changes in the local and regional environment. Throughout the Quaternary, floral and faunal change was linked at least in part to variations in moisture availability, temperature, and atmospheric CO2, which in addition to uplift and faulting, contributed to the expansion and contraction of a number of large lakes that served as biogeographic barriers to many taxa. This is particularly clear for the Lake Victoria basin, where biogeographic, geological, and paleontological evidence documents repeated expansion and contraction of the ranges of species in response to lake level and vegetation change. Across much of eastern Africa, the topography of the rift facilitated north-south dispersals, the timing of which may have depended in part on the expansion and contraction of the equatorial forest belt. Dispersal potential likely increased during the more arid periods of the late Quaternary, when the roles of lakes and forests as dispersal barriers was reduced and the extent of low net primary productivity dry grasslands increased, the latter requiring large home ranges for human foragers, conditions suitable for range expansions within H. sapiens.

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.

Prussian blue caged in spongiform adsorbents using diatomite and carbon nanotubes for elimination of cesium

Energy Technology Data Exchange (ETDEWEB)

Hu, Baiyang [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Fugetsu, Bunshi, E-mail: hu@ees.hokudai.ac.jp [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Yu, Hongwen [Graduate School of Environmental Science, Hokkaido University, Sapporo 060-0810 (Japan); Abe, Yoshiteru [Kyoei Engineering Corporation, Niigata 959-1961 (Japan)

2012-05-30

Highlights: Black-Right-Pointing-Pointer Prussian blue was sealed in cavities of diatomite using carbon nanotubes. Black-Right-Pointing-Pointer The caged Prussian blue after being permanently immobilized in polyurethane spongy showed a 167 mg/g capability for absorbing cesium. Black-Right-Pointing-Pointer Cesium elimination was accomplished by simply adding the Prussian-blue based spongiform adsorbent to radioactive water. - Abstract: We developed a spongiform adsorbent that contains Prussian blue, which showed a high capacity for eliminating cesium. An in situ synthesizing approach was used to synthesize Prussian blue inside diatomite cavities. Highly dispersed carbon nanotubes (CNTs) were used to form CNT networks that coated the diatomite to seal in the Prussian blue particles. These ternary (CNT/diatomite/Prussian-blue) composites were mixed with polyurethane (PU) prepolymers to produce a quaternary (PU/CNT/diatomite/Prussian-blue), spongiform adsorbent with an in situ foaming procedure. Prussian blue was permanently immobilized in the cell walls of the spongiform matrix and preferentially adsorbed cesium with a theoretical capacity of 167 mg/g cesium. Cesium was absorbed primarily by an ion-exchange mechanism, and the absorption was accomplished by self-uptake of radioactive water by the quaternary spongiform adsorbent.

Groundwater and quaternary geological studies of potential peat production areas - useful tool for sustainable peat production

Energy Technology Data Exchange (ETDEWEB)

Valpola, S.E.; Paalijaervi, M. (Geological Survey of Finland, Kokkola (Finland)), Email: samu.valpola@gtk.fi, Email: miikka.paalijarvi@gtk.fi

2009-07-01

Potential peat production areas in Finland are often situated in vicinity of eskers or other quaternary (glaciofluvial) formations. Frequently these formations are also important groundwater resources and it is essential for sustainable peat production to assure that these resources will not be endangered. The Geological Survey of Finland (GTK) has concluded several quaternary geological studies on potential peat production areas, which are connected to locally important groundwater areas. These studies have been made using mainly ground penetrating radar (GPR) and light drilling equipment. The main objective of these studies has been to establish the local groundwater flow directions and the quality and extent of quaternary deposits. The increasing need of peat production areas has created an evident demand of cost-effective and fast research methods which can be used for providing reliable information for planning of new production areas. (orig.)

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)

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)

Evaluating the Significance of Paleophylogeographic Species Distribution Models in Reconstructing Quaternary Range-Shifts of Nearctic Chelonians

OpenAIRE

R?dder, Dennis; Lawing, A. Michelle; Flecks, Morris; Ahmadzadeh, Faraham; Dambach, Johannes; Engler, Jan O.; Habel, Jan Christian; Hartmann, Timo; H?rnes, David; Ihlow, Flora; Schidelko, Kathrin; Stiels, Darius; Polly, P. David

2013-01-01

The climatic cycles of the Quaternary, during which global mean annual temperatures have regularly changed by 5-10°C, provide a special opportunity for studying the rate, magnitude, and effects of geographic responses to changing climates. During the Quaternary, high- and mid-latitude species were extirpated from regions that were covered by ice or otherwise became unsuitable, persisting in refugial retreats where the environment was compatible with their tolerances. In this study we combine ...

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.

A water-soluble, mucoadhesive quaternary ammonium chitosan-methyl-β-cyclodextrin conjugate forming inclusion complexes with dexamethasone.

Science.gov (United States)

Piras, Anna Maria; Zambito, Ylenia; Burgalassi, Susi; Monti, Daniela; Tampucci, Silvia; Terreni, Eleonora; Fabiano, Angela; Balzano, Federica; Uccello-Barretta, Gloria; Chetoni, Patrizia

2018-03-30

The ocular bioavailability of lipophilic drugs, such as dexamethasone, depends on both drug water solubility and mucoadhesion/permeation. Cyclodextrins and chitosan are frequently employed to either improve drug solubility or prolong drug contact onto mucosae, respectively. Although the covalent conjugation of cyclodextrin and chitosan brings to mucoadhesive drug complexes, their water solubility is restricted to acidic pHs. This paper describes a straightforward grafting of methyl-β-cyclodextrin (MCD) on quaternary ammonium chitosan (QA-Ch60), mediated by hexamethylene diisocyanate. The resulting product is a water-soluble chitosan derivative, having a 10-atom long spacer between the quaternized chitosan and the cyclodextrin. The derivative is capable of complexing the model drug dexamethasone and stable complexes were also observed for the lyophilized products. Furthermore, the conjugate preserves the mucoadhesive properties typical of quaternized chitosan and its safety as solubilizing excipient for ophthalmic applications was preliminary assessed by in vitro cytotoxicity evaluations. Taken as a whole, the observed features appear promising for future processing of the developed product into 3D solid forms, such as controlled drug delivery systems, films or drug eluting medical devices.

Band gap depiction of quaternary FeMnTiAl alloy using Hubbard (U) potential

Science.gov (United States)

Bhat, Tahir Mohiuddin; Yousuf, Saleem; Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2018-05-01

We have employed self-consistent ab-initio calculations to investigate new quaternary alloy FeMnTiAl by applying Hubbard potential (U). The alloy is found to be stable in ferromagnetic phase with cubic structure. The alloy shows half-metallic (HM) ferromagnet character. The values of minority band gap FeMnTiAl are found to be 0.33 eV respectively. Electronic charge density reveals that both types of bonds covalent as well as ionic are present in the alloy. Thus the new quaternary alloy can be proved as vital contender for spin valves and spin generator devices.

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.

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

Significant differences in late Quaternary bedrock erosion and transport

DEFF Research Database (Denmark)

Andrews, John; Bjørk, Anders Anker; Eberl, Dennis

2015-01-01

in 10 cores from the two margins. On the East Greenland Shelf (EGS), late Quaternary samples have an average quartz weight per cent of 6.22.3 versus 12.83.9 from the West Greenland Shelf (WGS), and 12.024.8 versus 1.9 2.3wt% for pyroxene. K-means clustering indicated only 9% of the samples did not fit...

The determination of B and Sr isotopes of quaternary biologic fossils in Yanghuzhuang Yanqing basin and their living environment

International Nuclear Information System (INIS)

Xiao Yingkai; Xiao Jun; Zhao Zhiqi; He Maoyong; Li Shizhen

2007-01-01

The B and Sr isotopic compositions of early Quaternary biologic fossils in Yanghuzhuang and living bivalves in Weishui river were measured. Comparing with the data of marine foraminifer, the results show a non-marine living environment for these foraminifers lived in early Quaternary in Yanghuzhuang, Yanqing; Basin. (authors)

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.

Sex allocation and functional bias of quaternary and quinary flowers on same inflorescence in the hermaphrodite Ruta graveolens

Science.gov (United States)

Tang, Jing-Yu; Ren, Ming-Xun

2011-09-01

Intra-inflorescence variation in floral traits is important to understand the pollination function of an inflorescence and the real reproductive outputs of a plant. Ruta graveolens (Rutaceae) produce both quaternary (four petals and eight stamens) and quinary (five petals and ten stamens) flowers on the same cymes, while their pollination roles and the effects on the reproductive success remained unexplored. We experimentally examined the biomass of female versus male organs and pollen viability and stigma receptivity to explore the sex allocation patterns between the flowers. The breeding systems and reproductive outputs through either female function (seed set) or male function (pollen dispersal) were also studied for quinary and quaternary flowers to determine whether there was functional bias. The results showed that R. graveolens was protandrous, with a mixed mating system. Its stamens could slowly move one by one and only dehisce when positioning at the flower center, which could greatly enhance pollen dispersal. The first-opened quinary flower allocated significantly higher resources (dry biomass) in female organs while quaternary flowers allocated more resource in male organs. The quaternary flowers experienced higher pollen limitation in seed production but were more successful in pollen dispersal and the quinary flowers reproduced both through female and male functions. Our data suggested that quinary and quaternary flower on same inflorescence in R. graveolens functioned mainly as the sex role that most resources were allocated, which probably reflect an adaptation for floral phenology and pollination process in this plant.

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.

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

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.

Formation of low charge state ions of synthetic polymers using quaternary ammonium compounds.

Science.gov (United States)

Nasioudis, Andreas; Joyce, William F; van Velde, Jan W; Heeren, Ron M A; van den Brink, Oscar F

2010-07-01

Factors such as high polymer dispersity and variation in elemental composition (of copolymers) often complicate the electrospray ionization mass spectrometry (ESI-MS) analysis of synthetic polymers with high molar mass. In the experiments described in this study, quaternary ammonium compounds were observed to facilitate the production of low charge state pseudomolecular ions when added to the spray solution for ESI-MS. This approach was then used for the ESI time-of-flight mass spectrometry (TOF-MS) analysis of synthetic polymers. Hexadecyltrimethylammonium chloride permitted the successful analysis of poly(ethylene glycol) of 2-40 kDa, poly(propylene glycol) and poly(tetramethylene glycol) oligomers. Increasing the quaternary ammonium compounds' concentration results in the production of low charge state pseudomolecular ions. A comparison of structurally different quaternary ammonium compounds showed that the best performance is expected from large molecules with specific charge localization, which leaves the charge available for interactions. The applicability of the method for the MS analysis of other polymeric systems was also studied. In the case of poly(tetramethylene glycol), the method not only shifted the distributions to higher m/z values but also allowed the detection of high molecular weight material that was not observed without addition of the modifier to the spray solution.

Mechanical properties of some binary, ternary and quaternary III-V compound semiconductor alloys

International Nuclear Information System (INIS)

Navamathavan, R.; Arivuoli, D.; Attolini, G.; Pelosi, C.; Choi, Chi Kyu

2007-01-01

Vicker's microindentation tests have been carried out on InP/InP, GaAs/InP, InGaAs/InP and InGaAsP/InP III-V compound semiconductor alloys. The detailed mechanical properties of these binary, ternary and quaternary epilayers were determined from the indentation experiments. Microindentation studies of (1 1 1) GaAs/InP both A and B faces show that the hardness value increases with load and attains a constant for further increase in load and the microhardness values were found to lie between 3.5 and 4.0 GPa. The microhardness values of InGaAs/InP epilayers with different thickness were found to lie between 3.93 and 4.312 GPa. The microhardness values of InGaAsP/InP with different elemental composition were found to lie between 5.08 and 5.73 GPa. The results show that the hardness of the quaternary alloy drastically increases, the reason may be that the increase in As concentration hardens the lattice when phosphorous concentration is less and hardness decreases when phosphorous is increased. It was interestingly observed that the hardness value increases as we proceed from binary to quaternary III-V compound semiconductor alloys

Fault control on patterns of Quaternary monogenetic vents in the ...

African Journals Online (AJOL)

Field and remote sensing data are used to examine the distribution of volcanism and fault geometry in the Ethiopian Rift between Omo-Chew Bahir rift and Tendaho graben during the Quaternary and evaluate their influence on the location and shape of individual vents as well as the development of alignments. The results ...

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

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.