Electronic structure and chemical bond in technetium dimer

International Nuclear Information System (INIS)

Klyagina, A.P.; Fursova, V.D.; Levin, A.A.; Gutsev, G.L.

1987-01-01

DV-X α method is used to study electron structure and peculiarities of chemical bond in Tc 2 and Tc 2 2+ dimers. Electron state characteristics are calculated in the basis of numerical Hartree-Fock functions for d 6 s 1 - and d 5 s 2 -configurations of Tc atom and for Tc 2 2+ ion d 5 s 1 -configuration. Disposition order for valence MO in Tc and Tc 2 2+ calculated for the given configurations is presented. It is shown that quinary bond with π u 4 dσ g 2 σ g 4 sσ g 2 δ u 2 configuration corresponds to the ground state of Tc 2 molecule. In Tc 2 some weakening of binding for π- and δ-orbitals and strengthening of total σ-binding in comparison with Mo 2 takes place. In Tc + and Tc 2+ MO composition is slightly changed, but a shift of 2σ-MO relatively MO consisting of d-AO is occured

Surface properties and field emission characteristics of chemical vapor deposition diamond grown on Fe/Si substrates

International Nuclear Information System (INIS)

Hirakuri, Kenji; Yokoyama, Takahiro; Enomoto, Hirofumi; Mutsukura, Nobuki; Friedbacher, Gernot

2001-01-01

Electron field emission characteristics of diamond grains fabricated on iron dot-patterned silicon (Fe/Si) substrates at different methane concentrations have been investigated. The characteristics of the samples could be improved by control of the methane concentration during diamond fabrication. Etching treatment of the as-grown diamond has enhanced the emission properties both with respect to current and threshold voltage. In order to study the influence of etching effects on the field emission characteristics, the respective surfaces were studied by Raman spectroscopy, Auger electron spectroscopy, and electron spectroscopy for chemical analysis (ESCA). ESCA revealed intensive graphite and FeO x peaks on the sample surface grown at high methane concentration. For the etched samples, the peaks of diamond and silicon carbide were observed, and the peaks of nondiamond carbon disappeared. The experimental results show that the etching process removes graphitic and nondiamond carbon components. [copyright] 2001 American Institute of Physics

Chemical kinetics of flue gas cleaning by electron beam

International Nuclear Information System (INIS)

Maetzing, H.

1989-02-01

By electron beam treatment of flue gases, NO x and SO 2 are converted to nitric and sulfuric acids simultaneously. Upon ammonia addition, the corresponding salts are collected in solid state and can be sold as fertilizer. Both homogeneous gas phase reactions and physico-chemical aerosol dynamics are involved in product formation. These processes have been analyzed by model calculations. In part 1, the present report summarizes the model results and gives an account of the theoretical understanding of the EBDS process and its performance characteristics. Part 2 of this report gives a complete listing of the reactions used in the AGATE code. (orig.) [de

Physical and chemical characteristics of fibrous peat

Science.gov (United States)

Sutejo, Yulindasari; Saggaff, Anis; Rahayu, Wiwik; Hanafiah

2017-11-01

Banyuasin is one of the regency in South Sumatera which has an area of 200.000 Ha of peat land. Peat soil are characterized by high compressibility parameters and low initial shear strength. Block sampling method was used to obtain undisturbed sample. The results of this paper describe the characteristics of peat soil from physical and chemical testing. The physical and chemical characteristics of peat include water content (ω), specific gravity (Gs), Acidity (pH), unit weight (γ), and ignition loss tests. SEM and EDS test was done to determine the differences in fiber content and to analyze chemical elements of the specimen. The average results ω, Gs, and pH are 263.538 %, 1.847, and 3.353. Peat is classified in H4 (by Von Post). The results of organic content (OC), ash content (AC), and fiber content (FC) are found 78.693 %, 21.310 %, and 73.703 %. From the results of physical and chemical tests, the peat in Banyuasin is classified as fibrous peat. All the results of the characteristics and classification of fibrous peat compared with published data were close.

Characterization of electron-deficient chemical bonding of diborane with attosecond electron wavepacket dynamics and laser response

International Nuclear Information System (INIS)

Yonehara, Takehiro; Takatsuka, Kazuo

2009-01-01

We report a theoretical study of non-adiabatic electrons-nuclei coupled dynamics of diborane H 2 BH 2 BH 2 under several types of short pulse lasers. This molecule is known to have particularly interesting geometrical and electronic structures, which originate from the electron-deficient chemical bondings. We revisit the chemical bonding of diborane from the view point of electron wavepacket dynamics coupled with nuclear motions, and attempt to probe the characteristics of it by examining its response to intense laser fields. We study in the following three aspects, (i) bond formation of diborane by collision between two monoboranes, (ii) attosecond electron wavepacket dynamics in the ground state and first excited state by circularly polarized laser pulse, and (iii) induced fragmentation back to monoborane molecules by linearly polarized laser. The wave lengths of two types of laser field employed are 200 nm (in UV range) and 800 nm (in IR range), and we track the dynamics from hundreds of attoseconds up to few tens of femtoseconds. To this end, we apply the ab initio semiclassical Ehrenfest theory, into which the classical vector potential of a laser field is introduced. Basic features of the non-adiabatic response of electrons to the laser fields is elucidated in this scheme. To analyze the electronic wavepackets thus obtained, we figure out bond order density that is a spatial distribution of the bond order and bond order flux density arising only from the bonding regions, and so on. Main findings in this work are: (i) dimerization of monoboranes to diborane is so efficient that even intense laser is hard to prevent it; (ii) collective motions of electron flux emerge in the central BHHB bonding area in response to the circularly polarized laser fields; (iii) laser polarization with the direction of central two BH bonding vector is efficient for the cleavage of BH 3 -BH 3 ; and (iv) nuclear derivative coupling plays a critical role in the field induced

Chemical information from Auger electron spectroscopy

International Nuclear Information System (INIS)

Madden, H.H.

1981-01-01

The nature of chemical information in Auger electron spectroscopy (AES) data is reviewed with special emphasis on data from solid surface systems. Two strategies are most frequently used to extract this information: (i) measuring and analyzing energy (chemical) shifts in Auger peaks; and (ii) making use of the shapes of Auger signals to determine the chemical environment at the site of the initial core hole. Chemical shift data are primarily illustrated by highlighting the interaction of oxygen with solids; and analyses of these data based on core-level binding-energy shifts, relaxation, and hole--hole interactions are outlined and discussed. Auger transitions that involve valence electrons are usually those for which lineshapes are taken as indications of the local chemistry at the initial core-hole site. Attempts at extracting valence band density-of-states information from lineshapes are proving successful and this approach to the surface chemical information in AES is illustrated with the aid of examples dealing with the interaction of silicon with hydrogen and with oxygen. The use of the AES lineshapes simply as ''fingerprints'' of the core-hole-site chemistry is examined and illustrated by examples which include studies of silicon nitride properties, of solid surface properties related to catalytic reactions, and of passive films on iron. Auger decay activated desorption processes are briefly examined and found to promise new and unique chemical information when combined with conventional AES. Some gas phase AES studies are also briefly reviewed

Random telegraph signals by alkanethiol-protected Au nanoparticles in chemically assembled single-electron transistors

International Nuclear Information System (INIS)

Kano, Shinya; Azuma, Yasuo; Tanaka, Daisuke; Sakamoto, Masanori; Teranishi, Toshiharu; Smith, Luke W.; Smith, Charles G.; Majima, Yutaka

2013-01-01

We have studied random telegraph signals (RTSs) in a chemically assembled single-electron transistor (SET) at temperatures as low as 300 mK. The RTSs in the chemically assembled SET were investigated by measuring the source–drain current, using a histogram of the RTS dwell time, and calculating the power spectrum density of the drain current–time characteristics. It was found that the dwell time of the RTS was dependent on the drain voltage of the SET, but was independent of the gate voltage. Considering the spatial structure of the chemically assembled SET, the origin of the RTS is attributed to the trapped charges on an alkanethiol-protected Au nanoparticle positioned near the SET. These results are important as they will help to realize stable chemically assembled SETs in practical applications

Chemical and morphological characteristics of mineral trioxide aggregate and Portland cements.

Science.gov (United States)

Khan, Shahbaz; Kaleem, Muhammad; Fareed, Muhammad Amber; Habib, Amir; Iqbal, Kefi; Aslam, Ayesha; Ud Din, Shahab

2016-01-01

The purpose of this study was to investigate the chemical composition and particle morphology of white mineral trioxide aggregate (WMTA) and two white Portland cements (CEM 1 and CEM 2). Compositional analysis was performed by energy dispersive X-ray spectroscopy, X-ray fluorescence spectrometry and X-ray diffraction whereas, morphological characteristics were analyzed by scanning electron microscope and Laser scattering particle size distribution analyzer. The elemental composition of WMTA, CEM 1 and CEM 2 were similar except for the presence of higher amounts of bismuth in WMTA. Calcium oxide and silicon oxide constitute the major portion of the three materials whereas, tricalcium silicate was detected as the major mineral phase. The particle size distribution and morphology of WMTA was finer compared to CEM 1 and CEM 2. The three tested materials had relatively similar chemical composition and irregular particle morphologies.

Structure and chemical bond characteristics of LaB6

International Nuclear Information System (INIS)

Bai Lina; Ma Ning; Liu Fengli

2009-01-01

The structure and chemical bond characteristics of LaB 6 have been achieved by means of the density functional theory using the state-of-the-art full-potential linearized augmented plane wave (FPLAPW) method, which are implemented within the EXCITING code. The results show our optimized lattice constant a (4.158 A), parameter z (0.1981) and bulk modulus B (170.4 GPa) are in good agreement with the corresponding experimental data. Electron localization function (ELF) shows the La-La bond mainly is ionic bond, La-B bond is between ionic and covalent bond while the covalent bond between the nearest neighbor B atoms (B2 and B3) is a little stronger than that between the nearer neighbor B atoms (B1 and B4).

Study and structural and chemical characterization of human dental smalt by electron microscopy

International Nuclear Information System (INIS)

Belio R, I.A.; Reyes G, J.

1998-01-01

The study of human dental smalt has been subject to investigation for this methods with electron microscopy, electron diffraction, X-ray diffraction and image simulation programs have been used with the purpose to determine its chemical and structural characteristics of the organic and inorganic materials. This work has been held mainly for the characterization of hydroxyapatite (Ca) 10 (PO 4 ) 6 (OH 4 ) 2 , inorganic material which conforms the dental smalt in 97%, so observing its structural unity which is composed by the prisms and these by crystals and atoms. It was subsequently initiated the study of the organic material, with is precursor of itself. (Author)

Characteristics of chemical bond and vacancy formation in chalcopyrite-type CuInSe2 and related compounds

International Nuclear Information System (INIS)

Maeda, Tsuyoshi; Wada, Takahiro

2009-01-01

We studied characteristics of chemical bond and vacancy formation in chalcopyrite-type CuInSe 2 (CIS) by first principles calculations. The chalcopyrite-type CIS has two kinds of chemical bonds, Cu-Se and In-Se. The Cu-Se bond is a weak covalent bonding because electrons occupy both bonding and antibonding orbitals of Cu 3d and Se 4p and occupy only the bonding orbital (a 1 ) of Cu 4s and Se 4p and do not occupy the antibonding orbital (a 1 * ) of Cu 4s and Se 4p. On the other hand, the In-Se bond has a partially covalent and partially ionic character because the In 5s orbital covalently interacts with Se 4p; the In 5p orbital is higher than Se 4p and so the electron in the In 5p orbital moves to the Se 4p orbital. The average bond order of the Cu-Se and In-Se bonds can be calculated to be 1/4 and 1, respectively. The bond order of Cu-Se is smaller than that of In-Se. The characteristics of these two chemical bonds are related to the formation of Cu and In vacancies in CIS. The formation energy of the Cu vacancy is smaller than that of the In vacancy under both Cu-poor and In-poor conditions. The displacement (Δl) of the surrounding Se atoms after the formation of the Cu vacancy is smaller than the Δl after the formation of the In vacancy. The interesting and unique characteristics of CIS are discussed on the basis of the characteristics of the chemical bond. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Field electron emission characteristics of chemical vapour deposition diamond films with controlled sp2 phase concentration

International Nuclear Information System (INIS)

Lu, X.; Yang, Q.; Xiao, C.; Hirose, A.

2008-01-01

Diamond films were synthesized in a microwave plasma-enhanced chemical vapour deposition reactor. The microstructure and surface morphology of deposited films were characterized by Raman spectroscope and scanning electron microscope. The sp 2 phase concentration in diamond films was varied and its effect on the field electron emission (FEE) properties was investigated. Diamond films deposited under higher methane concentration exhibit better FEE property including lower turn-on electric field and larger emission current. The predominating factor modifying the FEE property is presumed to be the increase of sp 2 phase concentration. The influence of bias voltage on the FEE property of diamond films is not monotonic. Postgrowth acid treatment reduces the sp 2 phase content in diamond films without changing diamond grain sizes. The corresponding FEE property was degraded

Characteristics of trapped electrons and electron traps in single crystals

International Nuclear Information System (INIS)

Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

1979-01-01

Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

PHYSICO-CHEMICAL CHARACTERISTICS OF MESUA FERREA ...

African Journals Online (AJOL)

a

2Department of Chemistry, Rajshahi University of Engineering and ... Studies on the physico-chemical characteristics of seed oils of Mesua ferrea collected ..... Sarkar, Subodh Kumar M.Phil Thesis, Rajshahi University, Bangladesh; 2001; p 91 ...

Electron-beam generated porous dextran gels: experimental and quantum chemical studies.

Science.gov (United States)

Naumov, Sergej; Knolle, Wolfgang; Becher, Jana; Schnabelrauch, Matthias; Reichelt, Senta

2014-06-01

The aim of this work was to investigate the reaction mechanism of electron-beam generated macroporous dextran cryogels by quantum chemical calculation and electron paramagnetic resonance measurements. Electron-beam radiation was used to initiate the cross-linking reaction of methacrylated dextran in semifrozen aqueous solutions. The pore morphology of the resulting cryogels was visualized by scanning electron microscopy. Quantum chemical calculations and electron paramagnetic resonance studies provided information on the most probable reaction pathway and the chain growth radicals. The most probable reaction pathway was a ring opening reaction and the addition of a C-atom to the double-bond of the methacrylated dextran molecule. First detailed quantum chemical calculation on the reaction mechanism of electron-beam initiated cross-linking reaction of methacrylated dextran are presented.

Electron optical characteristics of a concave electrostatic electron mirror for a scanning electron microscope

International Nuclear Information System (INIS)

Hamarat, R.T.; Witzani, J.; Hoerl, E.M.

1984-08-01

Numerical computer calculations are used to explore the design characteristics of a concave electrostatic electron mirror for a mirror attachment for a conventional scanning electron microscope or an instrument designed totally as a scanning electron mirror microscope. The electron paths of a number of set-ups are calculated and drawn graphically in order to find the optimum shape and dimensions of the mirror geometry. This optimum configuration turns out to be the transition configuration between two cases of electron path deflection, towards the optical axis of the system and away from it. (Author)

Evaluation of physical and chemical characteristics of xanthan gums

Directory of Open Access Journals (Sweden)

Claire Tondo Vendruscolo

2007-03-01

Full Text Available This work aimed at evaluating the physical and chemical characteristics of the xanthan produced by Xanthomonas arboricola pv pruni strain 115, and at comparing it with two xanthans obtained from commercial sources – Kelzan e Roeper. The analyzed xanthans showed specified patterns mentioned in the literature, except for low pyruvic acid content in the xanthan produced by strain 115, low monovalent salt content in the Roeper sample and high divalent salt content in both commercial samples. The low pyruvic acid content in the xanthan produced by X. arboricola pv pruni 115 did not affect the aqueous solution viscosity. Thus, the xanthan produced by strain 115 show physical and chemical characteristics that allow its use by the petroleum industry, as well as, in food, pharmaceutical and cosmetics products. Xanthomonas arboricola pv pruni. Xanthan. Physical and chemical characteristics.

Chemical evaluation of electronic cigarettes

OpenAIRE

Cheng, Tianrong

2014-01-01

Objective To review the available evidence evaluating the chemicals in refill solutions, cartridges, aerosols and environmental emissions of electronic cigarettes (e-cigarettes). Methods Systematic literature searches were conducted to identify research related to e-cigarettes and chemistry using 5 reference databases and 11 search terms. The search date range was January 2007 to September 2013. The search yielded 36 articles, of which 29 were deemed relevant for analysis. Results The levels ...

Destructive electronics from electrochemical-mechanically triggered chemical dissolution

International Nuclear Information System (INIS)

Sim, Kyoseung; Wang, Xu; Yu, Cunjiang; Li, Yuhang; Linghu, Changhong; Song, Jizhou; Gao, Yang

2017-01-01

The considerable need to enhance data and hardware security suggest one possible future for electronics where it is possible to destroy them and even make them disappear physically. This paper reports a type of destructive electronics which features fast transience from chemical dissolution on-demand triggered in an electrochemical-mechanical manner. The detailed materials, mechanics, and device construction of the destructive electronics are presented. Experiment and analysis of the triggered releasing and transience study of electronic materials, resistors and metal-oxide-semiconductor field effect transistors illustrate the key aspects of the destructive electronics. The reported destructive electronics is useful in a wide range of areas from security and defense, to medical applications (paper)

On the physico-chemical characteristics of brines

Digital Repository Service at National Institute of Oceanography (India)

Shirodkar, P.V.; Rao, P.V.S.S.D.P.; Singbal, S.Y.S.

Analyses of the natural brines form the salt lakes, salt pans and the artificial brines obtained after the solar desalination of seawater respectively, showed wide differences in their physico-chemical characteristics. The natural brines are markEd...

Chemical wiring and soldering toward all-molecule electronic circuitry.

Science.gov (United States)

Okawa, Yuji; Mandal, Swapan K; Hu, Chunping; Tateyama, Yoshitaka; Goedecker, Stefan; Tsukamoto, Shigeru; Hasegawa, Tsuyoshi; Gimzewski, James K; Aono, Masakazu

2011-06-01

Key to single-molecule electronics is connecting functional molecules to each other using conductive nanowires. This involves two issues: how to create conductive nanowires at designated positions, and how to ensure chemical bonding between the nanowires and functional molecules. Here, we present a novel method that solves both issues. Relevant functional molecules are placed on a self-assembled monolayer of diacetylene compound. A probe tip of a scanning tunneling microscope is then positioned on the molecular row of the diacetylene compound to which the functional molecule is adsorbed, and a conductive polydiacetylene nanowire is fabricated by initiating chain polymerization by stimulation with the tip. Since the front edge of chain polymerization necessarily has a reactive chemical species, the created polymer nanowire forms chemical bonding with an encountered molecular element. We name this spontaneous reaction "chemical soldering". First-principles theoretical calculations are used to investigate the structures and electronic properties of the connection. We demonstrate that two conductive polymer nanowires are connected to a single phthalocyanine molecule. A resonant tunneling diode formed by this method is discussed. © 2011 American Chemical Society

Chemical potential and reaction electronic flux in symmetry controlled reactions.

Science.gov (United States)

Vogt-Geisse, Stefan; Toro-Labbé, Alejandro

2016-07-15

In symmetry controlled reactions, orbital degeneracies among orbitals of different symmetries can occur along a reaction coordinate. In such case Koopmans' theorem and the finite difference approximation provide a chemical potential profile with nondifferentiable points. This results in an ill-defined reaction electronic flux (REF) profile, since it is defined as the derivative of the chemical potential with respect to the reaction coordinate. To overcome this deficiency, we propose a new way for the calculation of the chemical potential based on a many orbital approach, suitable for reactions in which symmetry is preserved. This new approach gives rise to a new descriptor: symmetry adapted chemical potential (SA-CP), which is the chemical potential corresponding to a given irreducible representation of a symmetry group. A corresponding symmetry adapted reaction electronic flux (SA-REF) is also obtained. Using this approach smooth chemical potential profiles and well defined REFs are achieved. An application of SA-CP and SA-REF is presented by studying the Cs enol-keto tautomerization of thioformic acid. Two SA-REFs are obtained, JA'(ξ) and JA'' (ξ). It is found that the tautomerization proceeds via an in-plane delocalized 3-center 4-electron O-H-S hypervalent bond which is predicted to exist only in the transition state (TS) region. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Electron tunneling in chemistry

International Nuclear Information System (INIS)

Zamaraev, K.I.; Khajrutdinov, R.F.; Zhdanov, V.P.; Molin, Yu.N.

1985-01-01

Results of experimental and theoretical investigations are outlined systematically on electron tunnelling in chemical reactions. Mechanism of electron transport to great distances is shown to be characteristic to chemical compounds of a wide range. The function of tunnel reactions is discussed for various fields of chemistry, including radiation chemistry, electrochemistry, chemistry of solids, chemistry of surface and catalysis

Chemical Modification of Semiconductor Surfaces for Molecular Electronics.

Science.gov (United States)

Vilan, Ayelet; Cahen, David

2017-03-08

Inserting molecular monolayers within metal/semiconductor interfaces provides one of the most powerful expressions of how minute chemical modifications can affect electronic devices. This topic also has direct importance for technology as it can help improve the efficiency of a variety of electronic devices such as solar cells, LEDs, sensors, and possible future bioelectronic ones. The review covers the main aspects of using chemistry to control the various aspects of interface electrostatics, such as passivation of interface states and alignment of energy levels by intrinsic molecular polarization, as well as charge rearrangement with the adjacent metal and semiconducting contacts. One of the greatest merits of molecular monolayers is their capability to form excellent thin dielectrics, yielding rich and unique current-voltage characteristics for transport across metal/molecular monolayer/semiconductor interfaces. We explain the interplay between the monolayer as tunneling barrier on the one hand, and the electrostatic barrier within the semiconductor, due to its space-charge region, on the other hand, as well as how different monolayer chemistries control each of these barriers. Practical tools to experimentally identify these two barriers and distinguish between them are given, followed by a short look to the future. This review is accompanied by another one, concerning the formation of large-area molecular junctions and charge transport that is dominated solely by molecules.

Device characteristics of organic light-emitting diodes based on electronic structure of the Ba-doped Alq3 layer.

Science.gov (United States)

Lim, Jong Tae; Kim, Kyung Nam; Yeom, Geun Young

2009-12-01

Organic light-emitting diodes (OLEDs) with a Ba-doped tris(8-quinolinolato)aluminum(III) (Alq3) layer were fabricated to reduce the barrier height for electron injection and to improve the electron conductivity. In the OLED consisting of glass/ITO/4,4',4"-tris[2-naphthylphenyl-1-phenylamino]triphenylamine (2-TNATA, 30 nm)/4,4'-bis[N-(1-napthyl)-N-phenyl-amino]-biphenyl (NPB, 18 nm)/Alq3 (42 nm)/Ba-doped Alq3 (20 nm, x%: x = 0, 10, 25, and 50)/Al (100 nm), the device with the Alq3 layer doped with 10% Ba showed the highest light out-coupling characteristic. However, as the Ba dopant concentration was increased from 25% to 50%, this device characteristic was largely reduced. The characteristics of these devices were interpreted on the basis of the chemical reaction between Ba and Alq3 and the electron injection property by analyzing the electronic structure of the Ba-doped Alq3 layer. At a low Ba doping of 10%, mainly the Alq3 radical anion species was formed. In addition, the barrier height for electron injection in this layer was decreased to 0.6 eV, when compared to the pristine Alq3 layer. At a high Ba doping of 50%, the Alq3 molecules were severely decomposed. When the Ba dopant concentration was changed, the light-emitting characteristics of the devices were well coincided with the formation mechanism of Alq3 radical anion and Alq3 decomposition species.

Behaviour of superconductivity energetic characteristics in electron-doped cuprates. A simple model

International Nuclear Information System (INIS)

Kristoffel, N.; Rubin, P.

2008-01-01

A simple model to describe the energetic phase diagram of electron-doped cuprate superconductor is developed. Interband pairing operates between the UHB and the defect states created by doping and supplied by both extincting HB-s. Two defect subbands correspond to the (π,0) and (π/2,π/2) momentum regions. Extended doping quenches the bare normal state gaps (pseudogaps). Maximal transition temperature corresponds to overlapping bands ensemble intersected by the chemical potential. Illustrative results for T c , pseudo- and superconducting gaps are calculated on the whole doping scale. Major characteristic features on the phase diagram are reproduced. Anticipated manifestation of gaps doping dynamics is discussed

Towards electron transport measurements in chemically modified graphene: effect of a solvent

Energy Technology Data Exchange (ETDEWEB)

Jacobsen, Arnhild; Ensslin, Klaus [Solid State Physics Laboratory, ETH Zurich (Switzerland); Koehler, Fabian M; Stark, Wendelin J, E-mail: arnhildj@phys.ethz.ch, E-mail: fabian.koehler@chem.ethz.ch [Institute for Chemical and Bioengineering, ETH Zurich (Switzerland)

2010-12-15

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

Towards electron transport measurements in chemically modified graphene: effect of a solvent

International Nuclear Information System (INIS)

Jacobsen, Arnhild; Ensslin, Klaus; Koehler, Fabian M; Stark, Wendelin J

2010-01-01

The chemical functionalization of graphene modifies the local electron density of carbon atoms and hence electron transport. Measuring these changes allows for a closer understanding of the chemical interaction and the influence of functionalization on the graphene lattice. However, not only chemistry, in this case diazonium chemistry, has an effect on electron transport. The latter is also influenced by defects and dopants resulting from different processing steps. Here, we show that the solvents used in the chemical reaction process change the transport properties. In more detail, the investigated combination of isopropanol and heating treatment reduces the doping concentration and significantly increases the mobility of graphene. Furthermore, isopropanol treatment alone increases the concentration of dopants and introduces an asymmetry between electron and hole transport, which might be difficult to distinguish from the effect of functionalization. The results shown in this work demand a closer look at the influence of solvents used for chemical modification in order to understand their influence.

Single-Molecule Electronics: Chemical and Analytical Perspectives.

Science.gov (United States)

Nichols, Richard J; Higgins, Simon J

2015-01-01

It is now possible to measure the electrical properties of single molecules using a variety of techniques including scanning probe microcopies and mechanically controlled break junctions. Such measurements can be made across a wide range of environments including ambient conditions, organic liquids, ionic liquids, aqueous solutions, electrolytes, and ultra high vacuum. This has given new insights into charge transport across molecule electrical junctions, and these experimental methods have been complemented with increasingly sophisticated theory. This article reviews progress in single-molecule electronics from a chemical perspective and discusses topics such as the molecule-surface coupling in electrical junctions, chemical control, and supramolecular interactions in junctions and gating charge transport. The article concludes with an outlook regarding chemical analysis based on single-molecule conductance.

Precession technique and electron diffractometry as new tools for crystal structure analysis and chemical bonding determination

International Nuclear Information System (INIS)

Avilov, A.; Kuligin, K.; Nicolopoulos, S.; Nickolskiy, M.; Boulahya, K.; Portillo, J.; Lepeshov, G.; Sobolev, B.; Collette, J.P.; Martin, N.; Robins, A.C.; Fischione, P.

2007-01-01

We have developed a new fast electron diffractometer working with high dynamic range and linearity for crystal structure determinations. Electron diffraction (ED) patterns can be scanned serially in front of a Faraday cage detector; the total measurement time for several hundred ED reflections can be tens of seconds having high statistical accuracy for all measured intensities (1-2%). This new tool can be installed to any type of TEM without any column modification and is linked to a specially developed electron beam precession 'Spinning Star' system. Precession of the electron beam (Vincent-Midgley technique) reduces dynamical effects allowing also use of accurate intensities for crystal structure analysis. We describe the technical characteristics of this new tool together with the first experimental results. Accurate measurement of electron diffraction intensities by electron diffractometer opens new possibilities not only for revealing unknown structures, but also for electrostatic potential determination and chemical bonding investigation. As an example, we present detailed atomic bonding information of CaF 2 as revealed for the first time by precise electron diffractometry

A device for measuring electron beam characteristics

Directory of Open Access Journals (Sweden)

M. Andreev

2017-01-01

Full Text Available This paper presents a device intended for diagnostics of electron beams and the results obtained with this device. The device comprises a rotating double probe operating in conjunction with an automated probe signal collection and processing system. This provides for measuring and estimating the electron beam characteristics such as radius, current density, power density, convergence angle, and brightness.

Research on lightning stroke model and characteristics of electronic transformer

Directory of Open Access Journals (Sweden)

Li Mu

2018-01-01

Full Text Available In order to improve the reliability of power supply, a large number of electronic voltage and current transformers are used in digital substations. In this paper, the mathematical model of the electronic transformer is analyzed firstly, and its circuit model is given. According to the difference of working characteristics between voltage transformer and current transformer, the circuit model of voltage type electronic transformer and current type electronic transformer is given respectively. By analyzing their broadband transmission characteristics, the accuracy of the model is verified, and their lightning analysis models are obtained.

Variation in the chemical composition, physical characteristics and ...

African Journals Online (AJOL)

Variation in the chemical composition, physical characteristics and energy values of cereal grains produced in the Western Cape area of South Africa. TS Brand, CW Cruywagen, DA Brandt, M Viljoen, WW Burger ...

Electronic Transmutation (ET): Chemically Turning One Element into Another.

Science.gov (United States)

Zhang, Xinxing; Lundell, Katie A; Olson, Jared K; Bowen, Kit H; Boldyrev, Alexander I

2018-03-08

The concept of electronic transmutation (ET) depicts the processes that by acquiring an extra electron, an element with the atomic number Z begins to have properties that were known to only belong to its neighboring element with the atomic number Z+1. Based on ET, signature compounds and chemical bonds that are composed of certain elements can now be designed and formed by other electronically transmutated elements. This Minireview summarizes the recent developments and applications of ET on both the theoretical and experimental fronts. Examples on the ET of Group 13 elements into Group 14 elements, Group 14 elements into Group 15 elements, and Group 15 elements into Group 16 elements are discussed. Compounds and chemical bonding composed of carbon, silicon, germanium, phosphorous, oxygen and sulfur now have analogues using transmutated boron, aluminum, gallium, silicon, nitrogen, and phosphorous. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental study on secondary electron emission characteristics of Cu

Science.gov (United States)

Liu, Shenghua; Liu, Yudong; Wang, Pengcheng; Liu, Weibin; Pei, Guoxi; Zeng, Lei; Sun, Xiaoyang

2018-02-01

Secondary electron emission (SEE) of a surface is the origin of the multipacting effect which could seriously deteriorate beam quality and even perturb the normal operation of particle accelerators. Experimental measurements on secondary electron yield (SEY) for different materials and coatings have been developed in many accelerator laboratories. In fact, the SEY is just one parameter of secondary electron emission characteristics which include spatial and energy distribution of emitted electrons. A novel experimental apparatus was set up in China Spallation Neutron Source, and an innovative method was applied to obtain the whole characteristics of SEE. Taking Cu as the sample, secondary electron yield, its dependence on beam injection angle, and the spatial and energy distribution of secondary electrons were achieved with this measurement device. The method for spatial distribution measurement was first proposed and verified experimentally. This contribution also tries to give all the experimental results a reasonable theoretical analysis and explanation.

Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors

Science.gov (United States)

Kehayias, Christopher E.; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

2013-06-01

Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

Kelvin probe microscopy and electronic transport measurements in reduced graphene oxide chemical sensors.

Science.gov (United States)

Kehayias, Christopher E; MacNaughton, Samuel; Sonkusale, Sameer; Staii, Cristian

2013-06-21

Reduced graphene oxide (RGO) is an electronically hybrid material that displays remarkable chemical sensing properties. Here, we present a quantitative analysis of the chemical gating effects in RGO-based chemical sensors. The gas sensing devices are patterned in a field-effect transistor geometry, by dielectrophoretic assembly of RGO platelets between gold electrodes deposited on SiO2/Si substrates. We show that these sensors display highly selective and reversible responses to the measured analytes, as well as fast response and recovery times (tens of seconds). We use combined electronic transport/Kelvin probe microscopy measurements to quantify the amount of charge transferred to RGO due to chemical doping when the device is exposed to electron-acceptor (acetone) and electron-donor (ammonia) analytes. We demonstrate that this method allows us to obtain high-resolution maps of the surface potential and local charge distribution both before and after chemical doping, to identify local gate-susceptible areas on the RGO surface, and to directly extract the contact resistance between the RGO and the metallic electrodes. The method presented is general, suggesting that these results have important implications for building graphene and other nanomaterial-based chemical sensors.

Research on the discharge characteristics for water tree in crosslinked polyethylene cable based on plasma-chemical model

Science.gov (United States)

Fan, Yang; Qi, Yang; Bing, Gao; Rong, Xia; Yanjie, Le; Iroegbu, Paul Ikechukwu

2018-03-01

Water tree is the predominant defect in high-voltage crosslinked polyethylene cables. The microscopic mechanism in the discharge process is not fully understood; hence, a drawback is created towards an effective method to evaluate the insulation status. In order to investigate the growth of water tree, a plasma-chemical model is developed. The dynamic characteristics of the discharge process including voltage waveform, current waveform, electron density, electric potential, and electric field intensity are analyzed. Our results show that the distorted electric field is the predominant contributing factor of electron avalanche formation, which inevitably leads to the formation of pulse current. In addition, it is found that characteristic parameters such as the pulse width and pulse number have a great relevance to the length of water tree. Accordingly, the growth of water tree can be divided into the initial stage, development stage, and pre-breakdown stage, which provides a reference for evaluating the deteriorated stages of crosslinked polyethylene cables.

Chemical modulation of electronic structure at the excited state

Science.gov (United States)

Li, F.; Song, C.; Gu, Y. D.; Saleem, M. S.; Pan, F.

2017-12-01

Spin-polarized electronic structures are the cornerstone of spintronics, and have thus attracted a significant amount of interest; in particular, researchers are looking into how to modulate the electronic structure to enable multifunctional spintronics applications, especially in half-metallic systems. However, the control of the spin polarization has only been predicted in limited two-dimensional systems with spin-polarized Dirac structures and is difficult to achieve experimentally. Here, we report the modulation of the electronic structure in the light-induced excited state in a typical half-metal, L a1 /2S r1 /2Mn O3 -δ . According to the spin-transport measurements, there appears a light-induced increase in magnetoresistance due to the enhanced spin scattering, which is closely associated with the excited spin polarization. Strikingly, the light-induced variation can be enhanced via alcohol processing and reduced by oxygen annealing. X-ray photoelectron spectroscopy measurements show that in the chemical process, a redox reaction occurs with a change in the valence of Mn. Furthermore, first-principles calculations reveal that the change in the valence of Mn alters the electronic structure and consequently modulates the spin polarization in the excited state. Our findings thus report a chemically tunable electronic structure, demonstrating interesting physics and the potential for multifunctional applications and ultrafast spintronics.

Electron Beam Treatment of Toxic Chemicals

International Nuclear Information System (INIS)

Jung, In Ha; Lee, Myun Joo; Lee, Oh Mi; Kim, Tae Hoon

2011-01-01

Polychlorinated biphenyls (PCBs) were commercially produced from 1920s as complex mixtures containing multiple isomers for a variety of applications. They are very toxic, chemically stable and resist microbial, photochemical, chemical, and thermal degradation. The public, legal, and scientific concerns about PCBs arose from research indicating they were environmental contaminants that had a potential to adversely impact the environment, and, therefore, were undesirable as commercial products. Eventually, most producers reduced or stopped production of PCBs in the 1970s. Stockholm convention on POPs (Persistent Organic Pollutants), which was effective on May 2004 and 151 nations including Korea were joined on June 2005, asked to dispose of PCBs by 2028 with environmental friendly methods. Korean government also has declared to perform by 2015. According to the Environmental law of Korea, over 2 ppm of PCBs has to be decomposed by legal methods of incineration and thermal destruction. But those are inapplicable owing to the environmental groups. KAERI(Korea Atomic Energy Research Institute) has recently developed a remarkable technology for radiation treatment of toxic chemicals including chlorides using an electron beam accelerator

Inventory Control: A Small Electronic Device for Studying Chemical Kinetics.

Science.gov (United States)

Perez-Rodriguez, A. L.; Calvo-Aguilar, J. L.

1984-01-01

Shows how the rate of reaction can be studied using a simple electronic device that overcomes the difficulty students encounter in solving the differential equations describing chemical equilibrium. The device, used in conjunction with an oscilloscope, supplies the voltages that represent the chemical variables that take part in the equilibrium.…

Physical and chemical characteristics of fluorinel/sodium calcine generated during 30 cm Pilot-Plant Run 17

International Nuclear Information System (INIS)

Brewer, K.N.; Kessinger, G.F.; Littleton, L.L.; Olson, A.L.

1993-07-01

The 30 centimeter (cm) pilot plant calciner Run 17, of March 9, 1987, was performed to study the calcination of fluroinel-sodium blended waste blended at the ratio 3.5:1 fluorinel to sodium, respectively. The product of the run was analyzed by a variety of analytical techniques that included X-ray powder diffraction (XRD), inductively coupled plasma spectroscopy (ICP), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) to deduce physical and chemical characteristics. The analytical data, as well as data analyses and conclusions drawn from the data, are presented

Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

International Nuclear Information System (INIS)

Li, Tsung-Lung; Lu, Wen-Cai

2016-01-01

The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li 1 Rub and Na 1 Rub) isomers are investigated and compared with monopotassium-rubrene (K 1 Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li 1 Rub and Na 1 Rub are intercalated structures, whereas the minimum-energy K 1 Rub is adsorbed. The fact that the intercalated Li 1 Rub and Na 1 Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li 1 Rub/Na 1 Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K 1 Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li 1 Rub/Na 1 Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of distributing over the central two fused rings than over the outer two

Current-Voltage Characteristic of Nanosecond - Duration Relativistic Electron Beam

Science.gov (United States)

Andreev, Andrey

2005-10-01

The pulsed electron-beam accelerator SINUS-6 was used to measure current-voltage characteristic of nanosecond-duration thin annular relativistic electron beam accelerated in vacuum along axis of a smooth uniform metal tube immersed into strong axial magnetic field. Results of these measurements as well as results of computer simulations performed using 3D MAGIC code show that the electron-beam current dependence on the accelerating voltage at the front of the nanosecond-duration pulse is different from the analogical dependence at the flat part of the pulse. In the steady-state (flat) part of the pulse), the measured electron-beam current is close to Fedosov current [1], which is governed by the conservation law of an electron moment flow for any constant voltage. In the non steady-state part (front) of the pulse, the electron-beam current is higher that the appropriate, for a giving voltage, steady-state (Fedosov) current. [1] A. I. Fedosov, E. A. Litvinov, S. Ya. Belomytsev, and S. P. Bugaev, ``Characteristics of electron beam formed in diodes with magnetic insulation,'' Soviet Physics Journal (A translation of Izvestiya VUZ. Fizika), vol. 20, no. 10, October 1977 (April 20, 1978), pp.1367-1368.

Effect of Electron Beam Irradiation of the Characteristics of Jute Fibers and the Interfacial Properties of Jute/PLA Green Composites

Energy Technology Data Exchange (ETDEWEB)

Ji, Sang Gyu; Cho, Dong Hwan [Kumoh National Institute of Technology, Gumi (Korea, Republic of); Lee, Byung Cheol [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2010-07-01

Cellulose-based natural fibers such as jute, knife and hemp have promising potential as a replacement for glass fibers in a polymer composite system because of their many advantages like natural abundance, low cost, light weight, biodegradability, carbon dioxide reduction in nature and acceptable mechanical properties. However, natural fibers need an appropriate surface treatment modifying their surface characteristics in order to effectively improve the interfacial properties as well as the mechanical and thermal properties. Electron beam irradiation technique is particularly interesting as it may offer the possibility to modify the surfaces and to enhance the properties of polymer materials such as fibers, films and composites. In addition, electron beam processing has a merit because it is a dry, solvent free and eco-friendly method with a fast throughput rate. In the present study, Jute fibers were irradiated at different dosages of electron beam from 10 to 100 kGy. The result was compared with raw jute fibers un-irradiated, showing the effect on the interfacial shear strength between jute fibers and PLA in terms of single fiber tensile property, fiber surface topology, and chemical composition occurring in jute fibers upon irradiation. It has been found that the surface topology and chemical characteristics of jute fibers significantly depended on the electron beam dosage irradiated, directly influencing the interfacial shear strength and interlaminar shear strength of jute-PLA green composites. It was concluded that electron beam irradiation played a contributing role not only in physically modifying the jute fiber surfaces but also in improving the interfacial properties between jute fibers and poly in the green composite, exhibiting the most effectiveness at a low electron beam energy of 10 kGy.

Comparison between electron-beam and chemical crosslinking of silicone rubber

Energy Technology Data Exchange (ETDEWEB)

Frounchi, Masoud [Polymer Engineering Group, Department of Chemical and Petroleum Engineering, Sharif University of Technology, Azadi Ave, Tehran (Iran, Islamic Republic of)]. E-mail: frounchi@sharif.edu; Dadbin, Susan [Yazd Processing Center, Atomic Energy Organization of Iran, Tehran (Iran, Islamic Republic of); Panahinia, Farhad [Polymer Engineering Group, Department of Chemical and Petroleum Engineering, Sharif University of Technology, Azadi Ave, Tehran (Iran, Islamic Republic of)

2006-02-15

Silicone rubber (SR) was irradiated by electron beam over a dose range of 50-300 kGy in the absence of chemical reagents. Molecular weight between crosslinks (M {sub c}) in the network of SB was determined by two methods of solvent swelling and modulus of elasticity. The network structure of the elastomer crosslinked by electron beam irradiation and chemical vulcanization was compared. Mechanical tests were performed to determine shore hardness, tensile elongation, strength and modulus of the samples. It was found that SR is effectively crosslinked by electron beam irradiation. The tensile strength, hardness, modulus and elongation of irradiated SR were higher than peroxide-crosslinked SR. The optimum dose for the neat rubber was 150 kGy which reduced to 50 kGy with addition of 10 wt.% fumed silica. The synergistic effect of fumed silica was verified by M {sub c} measurements which showed a dramatic decrease in presence of fumed silica in the rubber. The synergism in properties was also verified by comparing the modulus values calculated from the Guth-Smallwood equation and experimental data. Absence of chemical reagents in irradiated SR samples makes them a proper choice for medical applications.

Time-resolved imaging of purely valence-electron dynamics during a chemical reaction

DEFF Research Database (Denmark)

Hockett, Paul; Bisgaard, Christer Z.; Clarkin, Owen J.

2011-01-01

Chemical reactions are manifestations of the dynamics of molecular valence electrons and their couplings to atomic motions. Emerging methods in attosecond science can probe purely electronic dynamics in atomic and molecular systems(1-6). By contrast, time-resolved structural-dynamics methods...... such as electron(7-10) or X-ray diffraction(11) and X-ray absorption(12) yield complementary information about the atomic motions. Time-resolved methods that are directly sensitive to both valence-electron dynamics and atomic motions include photoelectron spectroscopy(13-15) and high-harmonic generation(16......,17): in both cases, this sensitivity derives from the ionization-matrix element(18,19). Here we demonstrate a time-resolved molecular-frame photoelectron-angular-distribution (TRMFPAD) method for imaging the purely valence-electron dynamics during a chemical reaction. Specifically, the TRMFPADs measured during...

Soft x-ray spectroscopy for probing electronic and chemical states of battery materials

International Nuclear Information System (INIS)

Yang Wanli; Qiao Ruimin

2016-01-01

The formidable challenge of developing high-performance battery system stems from the complication of battery operations, both mechanically and electronically. In the electrodes and at the electrode–electrolyte interfaces, chemical reactions take place with evolving electron states. In addition to the extensive studies of material synthesis, electrochemical, structural, and mechanical properties, soft x-ray spectroscopy provides unique opportunities for revealing the critical electron states in batteries. This review discusses some of the recent soft x-ray spectroscopic results on battery binder, transition-metal based positive electrodes, and the solid-electrolyte-interphase. By virtue of soft x-ray’s sensitivity to electron states, the electronic property, the redox during electrochemical operations, and the chemical species of the interphases could be fingerprinted by soft x-ray spectroscopy. Understanding and innovating battery technologies need a multimodal approach, and soft x-ray spectroscopy is one of the incisive tools to probe the chemical and physical evolutions in batteries. (topical review)

The Chemical Modeling of Electronic Materials and Interconnections

Science.gov (United States)

Kivilahti, J. K.

2002-12-01

Thermodynamic and kinetic modeling, together with careful experimental work, is of great help for developing new electronic materials such as lead-free solders, their compatible metallizations and diffusion-barrier layers, as well as joining and bonding processes for advanced electronics manufacturing. When combined, these modeling techniques lead to a rationalization of the trial-and-error methods employed in the electronics industry, limiting experimentation and, thus, reducing significantly time-to-market of new products. This modeling provides useful information on the stabilities of phases (microstructures), driving forces for chemical reactions, and growth rates of reaction products occurring in interconnections or thin-film structures during processing, testing, and in longterm use of electronic devices. This is especially important when manufacturing advanced lead-free electronics where solder joint volumes are decreasing while the number of dissimilar reactive materials is increasing markedly. Therefore, a new concept of local nominal composition was introduced and applied together with the relevant ternary and multicomponent phase diagrams to some solder/conductor systems.

Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation.

Science.gov (United States)

Andrés, Juan; Berski, Sławomir; Silvi, Bernard

2016-07-07

Probing the electron density transfers during a chemical reaction can provide important insights, making possible to understand and control chemical reactions. This aim has required extensions of the relationships between the traditional chemical concepts and the quantum mechanical ones. The present work examines the detailed chemical insights that have been generated through 100 years of work worldwide on G. N. Lewis's ground breaking paper on The Atom and the Molecule (Lewis, G. N. The Atom and the Molecule, J. Am. Chem. Soc. 1916, 38, 762-785), with a focus on how the determination of reaction mechanisms can be reached applying the bonding evolution theory (BET), emphasizing how curly arrows meet electron density transfers in chemical reaction mechanisms and how the Lewis structure can be recovered. BET that combines the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) provides a powerful tool providing insight into molecular mechanisms of chemical rearrangements. In agreement with physical laws and quantum theoretical insights, BET can be considered as an appropriate tool to tackle chemical reactivity with a wide range of possible applications. Likewise, the present approach retrieves the classical curly arrows used to describe the rearrangements of chemical bonds for a given reaction mechanism, providing detailed physical grounds for this type of representation. The ideas underlying the valence-shell-electron pair-repulsion (VSEPR) model applied to non-equilibrium geometries provide simple chemical explanations of density transfers. For a given geometry around a central atom, the arrangement of the electronic domain may comply or not with the VSEPR rules according with the valence shell population of the considered atom. A deformation yields arrangements which are either VSEPR defective (at least a domain is missing to match the VSEPR arrangement corresponding to the geometry of the ligands), VSEPR compliant

Stretchable Electronic Sensors of Nanocomposite Network Films for Ultrasensitive Chemical Vapor Sensing.

Science.gov (United States)

Yan, Hong; Zhong, Mengjuan; Lv, Ze; Wan, Pengbo

2017-11-01

A stretchable, transparent, and body-attachable chemical sensor is assembled from the stretchable nanocomposite network film for ultrasensitive chemical vapor sensing. The stretchable nanocomposite network film is fabricated by in situ preparation of polyaniline/MoS 2 (PANI/MoS 2 ) nanocomposite in MoS 2 suspension and simultaneously nanocomposite deposition onto prestrain elastomeric polydimethylsiloxane substrate. The assembled stretchable electronic sensor demonstrates ultrasensitive sensing performance as low as 50 ppb, robust sensing stability, and reliable stretchability for high-performance chemical vapor sensing. The ultrasensitive sensing performance of the stretchable electronic sensors could be ascribed to the synergistic sensing advantages of MoS 2 and PANI, higher specific surface area, the reliable sensing channels of interconnected network, and the effectively exposed sensing materials. It is expected to hold great promise for assembling various flexible stretchable chemical vapor sensors with ultrasensitive sensing performance, superior sensing stability, reliable stretchability, and robust portability to be potentially integrated into wearable electronics for real-time monitoring of environment safety and human healthcare. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical changes of titanium and titanium dioxide under electron bombardment

Directory of Open Access Journals (Sweden)

Romins Brasca

2007-09-01

Full Text Available The electron induced effect on the first stages of the titanium (Ti0 oxidation and titanium dioxide (Ti4+ chemical reduction processes has been studied by means of Auger electron spectroscopy. Using factor analysis we found that both processes are characterized by the appearance of an intermediate Ti oxidation state, Ti2O3 (Ti3+.

Chemical characteristic of salt fermented meat inoculated with Pediococcus ssp

Science.gov (United States)

Pramono, Y. B.; Rahayu, E. S.; Suparmo; Utami, T.; Nurwantoro; Yunianto, V. D.

2018-01-01

The research goal is knowing of the characteristict of salt fermented meat by Pediococcus ssp. There were microbiological, chemical, and off-flavor compound during fermentation. This study was conducted on research of influence of salt-meat fermentation inoculated used starter. They were included microbiological characteristics, and chemical characteristics. Microbiological characteristics observed were total bacteria, number of coliform groups, bacteria producing bioamine, and total lactic acid bacteria. The result showed that decreasing of coliform and bioamine producer bacteria, and total lactic acid bacteria decreased 3 log cycle. While the soluble protein increased of 7-8% and bioamine increased of 5-6 mg/100 g. And then Off-flavour compound, TVN and TMA increased of 36-20 mg/100g and 16-30 mg/100g, respectively. Conclusion of the research that Pedioccoccus ssp. influenced salt fermented meat.

Electron field emission characteristics of carbon nanotube on tungsten tip

International Nuclear Information System (INIS)

Phan Ngoc Hong; Bui Hung Thang; Nguyen Tuan Hong; Phan Ngoc Minh; Lee, Soonil

2009-01-01

Electron field emission characteristic of carbon nanotubes on tungsten tip was investigated in 2x10 -6 Torr vacuum. The measurement results showed that the CNTs/W tip could emit electron at 0.7 V/μm (nearly 10 times lower than that of the W tip itself) and reach up to 26 μA at the electric field of 1 V/μm. The emission characteristic follows the Fowler-Nordheim mechanism. Analysis of the emission characteristic showed that the CNTs/W tip has a very high value of field enhancement factor (β = 4.1 x 10 4 cm -1 ) that is much higher than that of the tungsten tip itself. The results confirmed the excellent field emission behavior of the CNTs materials and the CNTs/W tip is a prospective candidate for advanced electron field emitter.

Dose characteristics of high-energy electrons, muons and photons

International Nuclear Information System (INIS)

Britvich, G.I.; Krupnyj, G.I.; Peleshko, V.N.; Rastsvetalov, Ya.N.

1980-01-01

Differential distribution of energy release at different depth of tissue-equivalent phantoms (plexiglas, polystyrene, polyethylene) at the energy of incident electrons, muons of 0.2-40 GeV and photons with the mean energy of 3.6 GeV are measured. The error of experimental results does not exceed 7%. On the basis of the data obtained dose characteristics of electrons, muons and photons for standard geometry are estimated. For all types of irradiation the maximum value of specific equivalent dose, nremxcm 2 /part. is presented. It is shown that published values of specific equivalent dose of electron radiation are higher in all the investigated energy range from 0.2 to 40 GeV, and for muon radiation a good agreement with the present experiment is observed. The highly precise results obtained which cover the wide dynamic range according to the energy of incident particles can serve as the basis for reconsidering the existing recommendations for dose characteristics of electron radiation [ru

A study of the characteristics of indium tin oxide after chlorine electro-chemical treatment

Energy Technology Data Exchange (ETDEWEB)

Kim, Moonsoo; Kim, Jongmin; Cho, Jaehee; Kim, Hyunwoo; Lee, Nayoung; Choi, Byoungdeog, E-mail: bdchoi@skku.edu

2016-10-15

Graphical abstract: The presence of Chlorine in the outer surface resulted in a highly electro-negative surface states and an increase in the vacuum energy level. - Highlights: • We investigated the influence of chlorine surface treatment on ITO properties. • Chlorination induced the change of the electro-static potential in the outer surface. • Chlorine electro-chemical treatment of ITO is a simple, fast and effective technique. - Abstract: In this work, we investigate the influence of a chlorine-based electro-chemical surface treatment on the characteristics of indium tin oxide (ITO) including the work function, chemical composition, and phase transition. The treated ITOs were characterized using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS), 4-point probe measurements, and grazing incidence X-ray diffraction (GI-XRD). We confirmed a change of the chemical composition in the near-surface region of the ITO and the formation of indium-chlorine (In-Cl) bonds and surface dipoles (via XPS). In particular, the change of the electro-static potential in the outer surface was caused by chlorination. Due to the vacuum-level shift after the electro-chemical treatment in a dilute hydrochloric acid, the ITO work function was increased by ∼0.43 eV (via UPS); furthermore, the electro-negativity of the chlorine anions attracted electrons to emit them from the hole transport layer (HTL) to the ITO anodes, resulting in an increase of the hole-injection efficiency.

Strain and water effects on the electronic structure and chemical activity of in-plane graphene/silicene heterostructure

Science.gov (United States)

Kistanov, Andrey A.; Cai, Yongqing; Zhang, Yong-Wei; Dmitriev, Sergey V.; Zhou, Kun

2017-03-01

By using first-principles calculations, the electronic structure of planar and strained in-plane graphene/silicene heterostructure is studied. The heterostructure is found to be metallic in a strain range from  -7% (compression) to  +7% (tension). The effect of compressive/tensile strain on the chemical activity of the in-plane graphene/silicene heterostructure is examined by studying its interaction with the H2O molecule. It shows that compressive/tensile strain is able to increase the binding energy of H2O compared with the adsorption on a planar surface, and the charge transfer between the water molecule and the graphene/silicene sheet can be modulated by strain. Moreover, the presence of the boron-nitride (BN)-substrate significantly influences the chemical activity of the graphene/silicene heterostructure upon its interaction with the H2O molecule and may cause an increase/decrease of the charge transfer between the H2O molecule and the heterostructure. These findings provide insights into the modulation of electronic properties of the in-plane free-standing/substrate-supported graphene/silicene heterostructure, and render possible ways to control its electronic structure, carrier density and redox characteristics, which may be useful for its potential applications in nanoelectronics and gas sensors.

Strain and water effects on the electronic structure and chemical activity of in-plane graphene/silicene heterostructure

International Nuclear Information System (INIS)

Kistanov, Andrey A; Zhou, Kun; Cai, Yongqing; Zhang, Yong-Wei; Dmitriev, Sergey V

2017-01-01

By using first-principles calculations, the electronic structure of planar and strained in-plane graphene/silicene heterostructure is studied. The heterostructure is found to be metallic in a strain range from  −7% (compression) to  +7% (tension). The effect of compressive/tensile strain on the chemical activity of the in-plane graphene/silicene heterostructure is examined by studying its interaction with the H 2 O molecule. It shows that compressive/tensile strain is able to increase the binding energy of H 2 O compared with the adsorption on a planar surface, and the charge transfer between the water molecule and the graphene/silicene sheet can be modulated by strain. Moreover, the presence of the boron-nitride (BN)-substrate significantly influences the chemical activity of the graphene/silicene heterostructure upon its interaction with the H 2 O molecule and may cause an increase/decrease of the charge transfer between the H 2 O molecule and the heterostructure. These findings provide insights into the modulation of electronic properties of the in-plane free-standing/substrate-supported graphene/silicene heterostructure, and render possible ways to control its electronic structure, carrier density and redox characteristics, which may be useful for its potential applications in nanoelectronics and gas sensors. (paper)

Chemical changes induced on a TiO2 surface by electron bombardment

International Nuclear Information System (INIS)

Vergara, L.I.; Passeggi, M.C.G.; Ferron, J.

2007-01-01

We study the TiO 2 (Ti 4+ ) chemical reduction induced by electron bombardment using Auger electron spectroscopy and factor analysis. We show that the electron irradiation of a TiO 2 sample is characterized by the appearance of a lower Ti oxidation state, Ti 2 O 3 (Ti 3+ ), followed by a further deposition of carbon, which is present inevitably in the environment even under ultra-high vacuum conditions. The appearance of C over the surface is found to be a complex mechanism which affects the reduction process through passivation of the electron-induced oxygen desorption and formation of titanium carbide. For very high irradiation doses, we also found that the chemical changes on the surface are stopped due to the deposition of carbon in a graphitic form

Chemical and physical characteristics of phosphate rock materials of varying reactivity

International Nuclear Information System (INIS)

Syers, J.K.; Currie, L.D.

1986-01-01

Several chemical and physical properties of 10 phosphate rock (PR) materials of varying reactivity were evaluated. The highest concentrations of As and Cd were noted. Because Cd and U can accumulate in biological systems, it may be necessary to direct more attention towards the likely implications of Cd and U concentrations when evaluating a PR for direct application. Three sequential extractions with 2% citric acid may be more useful for comparing the chemical solubility of PR materials, particularly for those containing appreciable CaC0 3 . The poor relationship obtained between surface area and the solubility of the PR materials suggests that surface area plays a secondary role to chemical reactivity in controlling the solubility of a PR in a chemical extractant. A Promesh plot provided an effective method for describing the particle-size characteristics of those PR materials which occurred as sands. Fundamental characteristics, such as mean particle size and uniformity, can readily be determined from a Promesh plot. (author)

Structural effects on the electronic characteristics of intramolecularly intercalated alkali-rubrene complexes

Energy Technology Data Exchange (ETDEWEB)

Li, Tsung-Lung, E-mail: quantum@mail.ncyu.edu.tw [Department of Electrophysics, National Chia-Yi University, 300 Hsueh-Fu Road, Chiayi, 60004, Taiwan, ROC (China); Lu, Wen-Cai, E-mail: wencailu@jlu.edu.cn [Laboratory of Fiber Materials and Modern Textile, Growing Base for State Key Laboratory, College of Physics, Qingdao University, Qingdao, Shandong 266071 (China); State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021 (China)

2016-11-01

The geometric and electronic structures of neutral monolithium- and monosodium-rubrene (Li{sub 1} Rub and Na{sub 1} Rub) isomers are investigated and compared with monopotassium-rubrene (K{sub 1} Rub). Based on the alkali binding site, all isomers of these alkali-rubrene complexes can be subdivided into two types: intramolecularly intercalated and extramolecularly adsorbed. The minimum-energy Li{sub 1} Rub and Na{sub 1} Rub are intercalated structures, whereas the minimum-energy K{sub 1} Rub is adsorbed. The fact that the intercalated Li{sub 1} Rub and Na{sub 1} Rub structures are energetically favorable over the adsorbed ones can be explained by two energy rules. First, “double” proximity of the intercalating alkali element to a pair of phenyl side groups enormously reduces the total energy. Second, accommodation of a minuscule intercalant does not significantly deform the carbon frame and, thus, increases the energy only by a small amount. Additionally, the peculiar effects of intramolecular intercalation on the electronic structures of molecules are also studied in this simulation of monoalkali intercalation. In the monoalkali-intercalated rubrene complex, only one of the two pairs of phenyl groups of rubrene is intercalated, intentionally leaving another pair pristine, which facilitates the comparison of electronic structures between the intercalated and pristine pairs of phenyl side groups in a single molecule. The uniformity of chemical environments of the phenyl groups of the intercalated Li{sub 1} Rub/Na{sub 1} Rub is deteriorated by the incorporation of the intercalant, and leads to their spectral characteristics in contrast to K{sub 1} Rub. In particular, the introduction of the intercalant promotes the carbon 2p orbitals of the intercalated phenyl pair to take part in the electronic structures of the HOMO and LUMO peaks of Li{sub 1} Rub/Na{sub 1} Rub. The unpaired electron in the HOMO is delocalized over the backbone with higher probability of

Chemical Characteristics of Groundwater in the Akatsi and Ketu ...

African Journals Online (AJOL)

C. K. Tay

The physico-chemical characteristics of the groundwater at Akatsi and Ketu ... in both districts were at such elevated levels that serious health effects and risks ... standards, to assess the water qualities of selected boreholes in the Akatsi and ...

Predicting Electron Population Characteristics in 2-D Using Multispectral Ground-Based Imaging

Science.gov (United States)

Grubbs, Guy; Michell, Robert; Samara, Marilia; Hampton, Donald; Jahn, Jorg-Micha

2018-01-01

Ground-based imaging and in situ sounding rocket data are compared to electron transport modeling for an active inverted-V type auroral event. The Ground-to-Rocket Electrodynamics-Electrons Correlative Experiment (GREECE) mission successfully launched from Poker Flat, Alaska, on 3 March 2014 at 11:09:50 UT and reached an apogee of approximately 335 km over the aurora. Multiple ground-based electron-multiplying charge-coupled device (EMCCD) imagers were positioned at Venetie, Alaska, and aimed toward magnetic zenith. The imagers observed the intensity of different auroral emission lines (427.8, 557.7, and 844.6 nm) at the magnetic foot point of the rocket payload. Emission line intensity data are correlated with electron characteristics measured by the GREECE onboard electron spectrometer. A modified version of the GLobal airglOW (GLOW) model is used to estimate precipitating electron characteristics based on optical emissions. GLOW predicted the electron population characteristics with 20% error given the observed spectral intensities within 10° of magnetic zenith. Predictions are within 30% of the actual values within 20° of magnetic zenith for inverted-V-type aurora. Therefore, it is argued that this technique can be used, at least in certain types of aurora, such as the inverted-V type presented here, to derive 2-D maps of electron characteristics. These can then be used to further derive 2-D maps of ionospheric parameters as a function of time, based solely on multispectral optical imaging data.

[Scanning electron microscope study of chemically disinfected endodontic files].

Science.gov (United States)

Navarro, G; Mateos, M; Navarro, J L; Canalda, C

1991-01-01

Forty stainless steel endodontic files were observed at scanning electron microscopy after being subjected to ten disinfection cycles of 10 minutes each one, immersed in different chemical disinfectants. Corrosion was not observed on the surface of the files in circumstances that this study was made.

The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

Science.gov (United States)

Flores, Patricio; Gutiérrez-Oliva, Soledad; Herrera, Bárbara; Silva, Eduardo; Toro-Labbé, Alejandro

2007-11-01

The electronic transfer that occurs during a chemical process is analysed in term of a new concept, the electronic flux, that allows characterizing the regions along the reaction coordinate where electron transfer is actually taking place. The electron flux is quantified through the variation of the electronic chemical potential with respect to the reaction coordinate and is used, together with the reaction force, to shed light on reaction mechanism of the Schiff base formation in the Maillard reaction. By partitioning the reaction coordinate in regions in which different process might be taking place, electronic reordering associated to polarization and transfer has been identified and found to be localized at specific transition state regions where most bond forming and breaking occur.

Chemical kinetics and relaxation of non-equilibrium air plasma generated by energetic photon and electron beams

International Nuclear Information System (INIS)

Maulois, Melissa; Ribière, Maxime; Eichwald, Olivier; Yousfi, Mohammed; Azaïs, Bruno

2016-01-01

The comprehension of electromagnetic perturbations of electronic devices, due to air plasma-induced electromagnetic field, requires a thorough study on air plasma. In the aim to understand the phenomena at the origin of the formation of non-equilibrium air plasma, we simulate, using a volume average chemical kinetics model (0D model), the time evolution of a non-equilibrium air plasma generated by an energetic X-ray flash. The simulation is undertaken in synthetic air (80% N_2 and 20% O_2) at ambient temperature and atmospheric pressure. When the X-ray flash crosses the gas, non-relativistic Compton electrons (low energy) and a relativistic Compton electron beam (high energy) are simultaneously generated and interact with the gas. The considered chemical kinetics scheme involves 26 influent species (electrons, positive ions, negative ions, and neutral atoms and molecules in their ground or metastable excited states) reacting following 164 selected reactions. The kinetics model describing the plasma chemistry was coupled to the conservation equation of the electron mean energy, in order to calculate at each time step of the non-equilibrium plasma evolution, the coefficients of reactions involving electrons while the energy of the heavy species (positive and negative ions and neutral atoms and molecules) is assumed remaining close to ambient temperature. It has been shown that it is the relativistic Compton electron beam directly created by the X-ray flash which is mainly responsible for the non-equilibrium plasma formation. Indeed, the low energy electrons (i.e., the non-relativistic ones) directly ejected from molecules by Compton collisions contribute to less than 1% on the creation of electrons in the plasma. In our simulation conditions, a non-equilibrium plasma with a low electron mean energy close to 1 eV and a concentration of charged species close to 10"1"3" cm"−"3 is formed a few nanoseconds after the peak of X-ray flash intensity. 200 ns after the

X-ray electron density investigation of chemical bonding in van der Waals materials

Science.gov (United States)

Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette Ø.; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

2018-03-01

Van der Waals (vdW) solids have attracted great attention ever since the discovery of graphene, with the essential feature being the weak chemical bonding across the vdW gap. The nature of these weak interactions is decisive for many extraordinary properties, but it is a strong challenge for current theory to accurately model long-range electron correlations. Here we use synchrotron X-ray diffraction data to precisely determine the electron density in the archetypal vdW solid, TiS2, and compare the results with density functional theory calculations. Quantitative agreement is observed for the chemical bonding description in the covalent TiS2 slabs, but significant differences are identified for the interactions across the gap, with experiment revealing more electron deformation than theory. The present data provide an experimental benchmark for testing theoretical models of weak chemical bonding.

Organoleptic Characteristics and Chemicals Ilabulo Catfish Fortification

Directory of Open Access Journals (Sweden)

Rita Marsuci Harmain

2017-08-01

Full Text Available Diversification of traditional food ilabulo made from raw catfish (Pangasius sp. has the potential to be developed in Gorontalo province to substitute chicken viscera. The research aimed to make ilabulo substitute the raw material of chicken viscera with the catfish fortified Kappaphycus alvarezii seaweed and catfish bone meal and to determine the organoleptic and chemical characteristics of ilabulo catfish fortification. Fortified treatment is K. alvarezii  and catfish bone (5 dan 10% ,  B (10 and 15% and  C (15 dan 20%. The organoleptic analysis used a hedonic scale of favorite criteria on the appearance, texture, color, flavor, and taste. The results of organoleptic analysis continued with Bayes test. The chemical analysis used the Association of Official Analytical Chemist method. The result of the hedonic characteristic of ilabulo catfish fortification was on the appearance  neutral criteria – like (5.53–7.03, texture neutral criteria – rather like (5.8–7.1, aroma rather like (6.3–6.73, color neutral – like (6.1–7.03 and taste (6.07–6.53 neutral criteria – rather like. The result of Bayes test obtained by a texture of importance value 5, appearance importance value 5, aroma of importance value 4, color of interest value 3 and taste of importance value 2. Characteristic of ilabulo culture of selected fortified catfish that was the fortification of K. alvarezii seaweed 15% and catfish  bone flour (20% (fortification C obtained by water content 56.46%, ash 11.54%, protein 7.78%, fat 8.91%, coarse fiber 0.61%, carbohydrate 22.07% and calcium 0.315 %.

Physico-chemical characteristics and Heavy metal levels in Drinking ...

African Journals Online (AJOL)

Michael Horsfall

ABSTRAC: This study investigated the physico-chemical characteristics of drinking waters collected from tap, well and sachet in Sokoto metropolis in North Western Nigeria. Conductivity and pH values were determined by standard methods while elemental composition was analysed using X-ray Fluorescence spectroscopy ...

Environmental high resolution electron microscopy and applications to chemical science

OpenAIRE

Boyes, Edward; Gai, Pratibha

2017-01-01

An environmental cell high resolution electron microscope (EHREM) has been developed for in situ studies of dynamic chemical reactions on the atomic scale. It allows access to metastable intermediate phases of catalysts and to sequences of reversible microstructural and chemical development associated with the activation, deactivation and poisoning of a catalyst. Materials transported through air can be restored or recreated and samples damaged, e.g. by dehydration, by the usual vacuum enviro...

Estimation of the characteristic energy of electron precipitation

Directory of Open Access Journals (Sweden)

C. F. del Pozo

2002-09-01

Full Text Available Data from simultaneous observations (on 13 February 1996, 9 November 1998, and 12 February 1999 with the IRIS, DASI and EISCAT systems are employed in the study of the energy distribution of the electron precipitation during substorm activity. The estimation of the characteristic energy of the electron precipitation over the common field of view of IRIS and DASI is discussed. In particular, we look closely at the physical basis of the correspondence between the characteristic energy, the flux-averaged energy, as defined below, and the logarithm of the ratio of the green-light intensity to the square of absorption. This study expands and corrects results presented in the paper by Kosch et al. (2001. It is noticed, moreover, that acceleration associated with diffusion processes in the magnetosphere long before precipitation may be controlling the shape of the energy spectrum. We propose and test a "mixed" distribution for the energy-flux spectrum, exponential at the lower energies and Maxwellian or modified power-law at the higher energies, with a threshold energy separating these two regimes. The energy-flux spectrum at Tromsø, in the 1–320 keV range, is derived from EISCAT electron density profiles in the 70–140 km altitude range and is applied in the "calibration" of the optical intensity and absorption distributions, in order to extrapolate the flux and characteristic energy maps.Key words. Ionosphere (auroral ionosphere; particle precipitation; particle acceleration

Estimation of the characteristic energy of electron precipitation

Directory of Open Access Journals (Sweden)

C. F. del Pozo

Full Text Available Data from simultaneous observations (on 13 February 1996, 9 November 1998, and 12 February 1999 with the IRIS, DASI and EISCAT systems are employed in the study of the energy distribution of the electron precipitation during substorm activity. The estimation of the characteristic energy of the electron precipitation over the common field of view of IRIS and DASI is discussed. In particular, we look closely at the physical basis of the correspondence between the characteristic energy, the flux-averaged energy, as defined below, and the logarithm of the ratio of the green-light intensity to the square of absorption. This study expands and corrects results presented in the paper by Kosch et al. (2001. It is noticed, moreover, that acceleration associated with diffusion processes in the magnetosphere long before precipitation may be controlling the shape of the energy spectrum. We propose and test a "mixed" distribution for the energy-flux spectrum, exponential at the lower energies and Maxwellian or modified power-law at the higher energies, with a threshold energy separating these two regimes. The energy-flux spectrum at Tromsø, in the 1–320 keV range, is derived from EISCAT electron density profiles in the 70–140 km altitude range and is applied in the "calibration" of the optical intensity and absorption distributions, in order to extrapolate the flux and characteristic energy maps.

Key words. Ionosphere (auroral ionosphere; particle precipitation; particle acceleration

The ground water chemical characteristics of Beishan area-the China's potential high level radioactive waste repository

International Nuclear Information System (INIS)

Yang Tianxiao; Guo Yonghai

2004-01-01

The ground water chemical characteristics have impact on nuclide migration in high level waste repository, so the study on the ground water chemical characteristics is an important aspect in site screening and characterization. The geochemical modeling of the reaction trend between ground water and solid phase, the water-rock interaction modeling of the formation and evolution of ground water chemistry, the modeling of the reaction between ground water and nuclear waste are all carried out in this paper to study the ground water chemical characteristics in Beishan area. The study illustrates that the ground water chemical characteristics in Beishan area is favorable to the disposal of high level nuclear waste and to prevent the nuclides migration. (author)

Physical characteristics of chemically modified starch from potatoes, evaluated by X-ray diffraction, SEM and NMR

International Nuclear Information System (INIS)

Sivolil; Perez, E.

1995-01-01

The aim of this study was to compare the physical characteristics of chemically modified starch by cross-linking and methylation in order to observe the changes occurred in the molecule which could give it a positive and specific application. The physical characteristics were evaluated by morphometric analysis using analytical methods as scanning electron microscopy, x-ray diffraction and nuclear magnetic resonance in solid state. The results point for all the evaluated characteristics that the cross-linked starch from potato maintains a granular size and shape similar to native starch, through some granules were affected since they presented cracks and outlet of internal material; the introduction of phosphate groups in the molecule is evident in the NMR spectra: the methylated starch from potato changed in a drastic way the structure of granules since the size increased from 9 to 53 μm of the native starch to 44 to 181 μm for the methylated, the X-ray spectra shows a formation of crystals, banishing the characteristic standard type B, likewise with NMR a modification of starch was observed due to the presence of methyl groups. (Author)

Physico-chemical characteristics of water sample from Aiba Stream ...

African Journals Online (AJOL)

This study aimed at assessing the effectiveness of solar distillation in purification of water. The water sample collected from Aiba stream was subjected to double slope solar water distillation unit. The physico- chemical characteristics of the raw sample and the distillate were determined using standard methods. The.

Some physico-chemical and biological characteristics of soil and ...

African Journals Online (AJOL)

Environmental conditions that influence biocorrosion in the Niger Delta area of Nigeria are investigated experimentally by analysing the physico-chemical and biological characteristics of four (4) soil samples and water samples taken from ten (10) selected river bodies in the region. Measured properties of the water ...

Noncovalent Interactions in Organic Electronic Materials

KAUST Repository

Ravva, Mahesh Kumar

2017-06-29

In this chapter, we provide an overview of how noncovalent interactions, determined by the chemical structure of π-conjugated molecules and polymers, govern essential aspects of the electronic, optical, and mechanical characteristics of organic semiconductors. We begin by describing general aspects of materials design, including the wide variety of chemistries exploited to control the electronic and optical properties of these materials. We then discuss explicit examples of how the study of noncovalent interactions can provide deeper chemical insights that can improve the design of new generations of organic electronic materials.

Characteristics of electron gun used in the accelerator for customs inspection systems

International Nuclear Information System (INIS)

Huang Weiling; Li Quanfeng; Zhang Yunkai

2001-01-01

The author introduces the characteristics of the electron gun used in the 9 MeV traveling wave electron linear accelerator for fixed customs container inspection system. With the scan date cathode, the electron gun meets the accelerator characteristics with the whole system not needing high-temperature roasting to degas. The electron gun can work normally at a vacuum of about 10 -5 Pa and can be reinstalled after exposure to air. In the accelerator, the electron gun emits a beam which strikes the target to produce an X-ray beam with a dosage rate of over 30 Gy/(min·m) and a beam focus spot of less than φ 2 mm. The EGUN code is used to simulate the structure and properties of the electron gun. The reference size debugging parameters for replacing the electron gun are given for assembly requirements

Influence of extraction techniques on physical-chemical characteristics and volatile compounds of extra virgin olive oil.

Science.gov (United States)

Volpe, Maria Grazia; De Cunzo, Fausta; Siano, Francesco; Paolucci, Marina; Barbarisi, Costantina; Cammarota, Giancarlo

2014-01-01

The purpose of this study was to investigate three types of extraction methods of extra virgin olive oil (EVOO) from the same cultivar (Ortice olive cultivar): traditional or pressing (T) system, decanter centrifugation (DC) system and a patented horizontal axis decanter centrifugation (HADC) system. Oil samples were subjected to chemical analyses: free acidity, peroxide value, ultraviolet light absorption K232 and K270, total polyphenols, antioxidant capacity, volatile compounds and olfactory characteristics by electronic nose. The two centrifugation systems showed better free acidity and peroxides value but total polyphenol content was particularly high in extra virgin olive oil produced by patented HADC system. Same volatile substances that positively characterize the oil aroma were found in higher amount in the two centrifugation systems, although some differences have been detected between DC and HADC system, other were found in higher amount in extra virgin olive oil produced by T system. The electronic nose analysis confirmed these results, principal component analysis (PCA) and correlation matrix showed the major differences between EVOO produced by T and HADC system. Taken together the results showed that DC and HADC systems produce EVOO with better characteristics than T system and patented HADC is the best extraction system.

The electron as a chemical entity 201 Farday lecture

International Nuclear Information System (INIS)

Dainton, F.S.

1975-01-01

After an introductory section, the subject is covered in sections, as follows: on 'dropping' an electron into a liquid or an amorphous solid; the preparation of solvated and trapped electrons in condensed media; the physical properties of solvated or trapped electrons (the E.S.R. spectrum and cavity structure; the equivalent conductance, mobility, diffusion constant, and Stokes radius of esub(s)sup(-); the ionic atmosphere relaxation time; the thermodynamic properties of esub(s)sup(-)); spectroscopic and other evidence concerning the cavities (the effects of pressure and temperature on the spectrum; direct evidence for a range of trap sizes for esub(t)sup(-)); the trapping and solvation mechanism; the chemical reactions of esub(s)sup(-); some applications of our knowledge of esub(s)sup(-). (U.K.)

Synthesis and electronic properties of chemically functionalized graphene on metal surfaces

International Nuclear Information System (INIS)

Grüneis, Alexander

2013-01-01

A review on the electronic properties, growth and functionalization of graphene on metals is presented. Starting from the derivation of the electronic properties of an isolated graphene layer using the nearest neighbor tight-binding (TB) approximation for π and σ electrons, the TB model is then extended to third-nearest neighbors and interlayer coupling. The latter is relevant to few-layer graphene and graphite. Next, the conditions under which epitaxial graphene can be obtained by chemical vapor deposition are reviewed with a particular emphasis on the Ni(111) surface. Regarding functionalization, I first discuss the intercalation of monolayer Au into the graphene/Ni(111) interface, which renders graphene quasi-free-standing. The Au intercalated quasi-free-standing graphene is then the basis for chemical functionalization. Functionalization of graphene is classified into covalent, ionic and substitutional functionalization. As archetypical examples for these three possibilities I discuss covalent functionalization by hydrogen, ionic functionalization by alkali metals and substitutional functionalization by nitrogen heteroatoms.

Physico-chemical characteristics and Heavy metal levels in Drinking ...

African Journals Online (AJOL)

Physico-chemical characteristics and Heavy metal levels in Drinking Water ... composition was analysed using X-ray Fluorescence spectroscopy. Majority of the water samples had neutral pH (6.80 – 7.20) few were slightly alkaline and one was acidic. ... Heavy metals (copper and lead), rare earth metals (gallium, rubidium, ...

Manufacture of polyethylene foam by electron beam cross-linking

International Nuclear Information System (INIS)

Tamai, Isamu

1976-01-01

The manufacturing process of polyethylene foam, comparison between electron beam cross-linking process and chemical cross-linking process, the electron beam irradiation technique for continuous sheets, the characteristics and uses of polyethylene foam are reviewed. The pore diameter can be controlled by selecting the dose rate, because there is strong relationship between the pore diameter and the dose rate. As the dose if higher, the foam becomes finer. The electron accelerators having large capacity show the lowest cost as the radiation source, and are applicable industrially. If the production capacity exceeds about 200 tons per month, the costs of electron beam irradiation process may be more advantageous than that of chemical process according to the circumstances. It is difficult to obtain the uniform distribution of absorption dose in the direction of thickness. General characteristics of cross-linked polyethylene foam are listed. The special feature of electron beam process is that the degree of cross-linking can be controlled arbitrarily before foaming. The products obtained by the electron beam cross-linking process have finer foams and smoother surfaces than those obtained by the chemical process, because the separation of the decomposition of foaming agents from that of cross-linking agents in the chemical cross-linking is difficult. (Iwakiri, K.)

Chemical and physicochemical characteristics changes during passion fruit juice processing

Directory of Open Access Journals (Sweden)

Aline Gurgel Fernandes

2011-09-01

Full Text Available Passion fruit is widely consumed due to its pleasant flavour and aroma acidity, and it is considered very important a source of minerals and vitamins. It is used in many products such as ice-cream, mousses and, especially, juices. However, the processing of passion fruit juice may modify the composition and biodisponibility of the bioactive compounds. Investigations of the effects of processing on nutritional components in tropical juices are scarce. Frequently, only losses of vitamin C are evaluated. The objective of this paper is to investigate how some operations of passion fruit juice processing (formulation/homogeneization/thermal treatment affect this product's chemical and physicochemical characteristics. The results showed that the chemical and physicochemical characteristics are little affected by the processing although a reduction in vitamin C contents and anthocyanin, large quantities of carotenoids was verified even after the pasteurization stage.

Electron beam characteristics on a Philips SL25

International Nuclear Information System (INIS)

Palta, J.R.; Daftari, I.K.; Ayyangar, K.M.; Suntharalingam, N.

1990-01-01

Dosimetry measurements at nominal electron energies of 4, 6, 8, 10, 12, 15, 17, 20, and 22 MeV were made for different sized, open-sided applicators on two Philips SL25 linear accelerators. Measurements include beam flatness, percentage depth dose, surface dose, isodose curves, field size dependence, output at extended distances, virtual source position, and required low melting point alloy thickness for field shaping. These measurements are presented to document the characteristics of electron beams with a new type of applicator design on this series of Philips accelerators

Characteristics of Electron Drift in an Ar-Hg Mixture

Science.gov (United States)

Golyatina, R. I.; Maiorov, S. A.

2018-04-01

The characteristics of electron drift in a mixture of argon with mercury vapor at reduced electric fields of E/ N = 1-100 Td are calculated and analyzed with allowance for inelastic collisions. It is shown that even a minor additive of mercury to argon at a level of a fraction of percent substantially affects the discharge parameters, in particular, the characteristics of inelastic processes. The influence of the concentration of mercury vapor in argon on the kinetic characteristics, such as the diffusion and mobility coefficients and ionization frequency, is investigated.

Physico-chemical characteristics and Heavy metal levels in Drinking ...

African Journals Online (AJOL)

Physico-chemical characteristics and Heavy metal levels in Drinking Water sources in Sokoto metropolis in North-western Nigeria. ... Tap water samples had similar conductivity values (180 -190μS/m), sachet water samples had conductivity values ranging from 80μS/m to 260μS/m while well water samples had highest ...

Application of electron beam irradiation, (1). Development and application of electron beam processors

International Nuclear Information System (INIS)

Katsumura, Yosuke

1994-01-01

This paper deals with characteristics, equipment (principle and kinds), present conditions, and future issues in the application of electron beam irradiation. Characteristics of electron beams are described in terms of the following: chemical and biological effects of radiation; energy and penetrating power of electron beams; and principle and kinds of electron beam accelerator. Industrial application of electron beam irradiation has advantages of high speed procedure and producibility, less energy, avoidance of poisonous gas, and extreme reduction of organic solvents to be used. The present application of electron beam irradiation cen be divided into the following: (1) hardening of resin or coated membrane; (2) improvement of macromolecular materials; (3) environmental protection; (4) sterilization; (5) food sterilization. The present equipment for electron beam irradiation is introduced according to low energy, medium energy, and high energy equipment. Finally, future issues focuses on (1) the improvement of traceability system and development of electron dosimetric techniques and (2) food sterilization. (N.K.)

Kapton charging characteristics: Effects of material thickness and electron-energy distribution

Science.gov (United States)

Williamson, W. S.; Dulgeroff, C. R.; Hymann, J.; Viswanathan, R.

1985-01-01

Charging characteristics of polyimide (Kapton) of varying thicknesses under irradiation by a very-low-curent-density electron beam, with the back surface of the sample grounded are reported. These charging characteristics are in good agreement with a simple analytical model which predicts that in thin samples at low current density, sample surface potential is limited by conduction leakage through the bulk material. The charging of Kapton in a low-current-density electron beam in which the beam energy was modulated to simulate Maxwellian and biMaxwellian distribution functions is measured.

Calculating the radiation characteristics of accelerated electrons in laser-plasma interactions

International Nuclear Information System (INIS)

Li, X. F.; Yu, Q.; Qu, J. F.; Kong, Q.; Gu, Y. J.; Ma, Y. Y.; Kawata, S.

2016-01-01

In this paper, we studied the characteristics of radiation emitted by electrons accelerated in a laser–plasma interaction by using the Lienard–Wiechert field. In the interaction of a laser pulse with a underdense plasma, electrons are accelerated by two mechanisms: direct laser acceleration (DLA) and laser wakefield acceleration (LWFA). At the beginning of the process, the DLA electrons emit most of the radiation, and the DLA electrons emit a much higher peak photon energy than the LWFA electrons. As the laser–plasma interaction progresses, the LWFA electrons become the major radiation emitter; however, even at this stage, the contribution from DLA electrons is significant, especially to the peak photon energy.

Equipment for evaluation of the characteristics of electronic-optic converters

International Nuclear Information System (INIS)

Getsov, Petar; Mardirossian, Garo; Nedkov, Rumen; Stoyanov, Stiliyan; Bo, Wang; Prokopenko, Olga; Boyanov, Petar

2018-01-01

In this paper we consider the concept, structure, operation and application of original equipment for evaluation of the characteristics of electronic-optic converters (EOC) created in the Space Research and Technologies Institute at the Bulgarian Academy of Sciences. The equipment is recognized as an invention and it is subject to patent protection. Key words: electronic-optic converter, infrared radiation, night surveillance devices

Synthesis of ultrathin polymer insulating layers by initiated chemical vapour deposition for low-power soft electronics.

Science.gov (United States)

Moon, Hanul; Seong, Hyejeong; Shin, Woo Cheol; Park, Won-Tae; Kim, Mincheol; Lee, Seungwon; Bong, Jae Hoon; Noh, Yong-Young; Cho, Byung Jin; Yoo, Seunghyup; Im, Sung Gap

2015-06-01

Insulating layers based on oxides and nitrides provide high capacitance, low leakage, high breakdown field and resistance to electrical stresses when used in electronic devices based on rigid substrates. However, their typically high process temperatures and brittleness make it difficult to achieve similar performance in flexible or organic electronics. Here, we show that poly(1,3,5-trimethyl-1,3,5-trivinyl cyclotrisiloxane) (pV3D3) prepared via a one-step, solvent-free technique called initiated chemical vapour deposition (iCVD) is a versatile polymeric insulating layer that meets a wide range of requirements for next-generation electronic devices. Highly uniform and pure ultrathin films of pV3D3 with excellent insulating properties, a large energy gap (>8 eV), tunnelling-limited leakage characteristics and resistance to a tensile strain of up to 4% are demonstrated. The low process temperature, surface-growth character, and solvent-free nature of the iCVD process enable pV3D3 to be grown conformally on plastic substrates to yield flexible field-effect transistors as well as on a variety of channel layers, including organics, oxides, and graphene.

Electron densities and chemical bonding in TiC, TiN and TiO derived from energy band calculations

International Nuclear Information System (INIS)

Blaha, P.

1983-10-01

It was the aim of this paper to describe the chemical bonding of TiC, TiN and TiO by means of energy bands and electron densities. Using the respective potentials we have calculated the bandstructure of a finer k-grid with the linearized APW method to obtain accurate densities of states (DOS). These DOS wer partitioned into local partial contributions and the metal d DOS were further decomposed into tsub(2g) and esub(g) symmetry components in order to additionally characterize bonding. The electron densities corresponding to the occupied valence states are obtained from the LAPW calculations. They provide further insight into characteristic trends in the series from TiC to TiO: around the nonmetal site the density shows increasing localisation; around the metal site the deviation from spherical symmetry changes from esub(g) to tsub(2g). Electron density plots of characteristic band states allow to describe different types of bonding occurring in these systems. For TiC and TiN recent measurements of the electron densities exist for samples of TiCsub(0.94) and TiNsub(0.99), where defects cause static displacements of the Ti atoms. If this effect can be compensated by an atomic model one hopefully can extrapolate to stoichiometric composition. This procedure allows a comparison with structure factors derived from theoretical electron densities. The agreement for TiN is very good. For TiC the extrapolated data agree in terms of the deviations from spherical symmetry near the Ti site with the LAPW data, but the densities around both atoms are more localized than in theory. An explanation could be: a) the defects affect the electronic structure in TiCsub(0.94) with respect to TiCsub(1.0): b) the applied atomic model does not properly extrapolate to stoichiometry, because parameters of this model correlate or become unphysical. (Author)

Measurements on wave propagation characteristics of spiraling electron beams

Science.gov (United States)

Singh, A.; Getty, W. D.

1976-01-01

Dispersion characteristics of cyclotron-harmonic waves propagating on a neutralized spiraling electron beam immersed in a uniform axial magnetic field are studied experimentally. The experimental setup consisted of a vacuum system, an electron-gun corkscrew assembly which produces a 110-eV beam with the desired delta-function velocity distribution, a measurement region where a microwave signal is injected onto the beam to measure wavelengths, and a velocity analyzer for measuring the axial electron velocity. Results of wavelength measurements made at beam currents of 0.15, 1.0, and 2.0 mA are compared with calculated values, and undesirable effects produced by increasing the beam current are discussed. It is concluded that a suitable electron beam for studies of cyclotron-harmonic waves can be generated by the corkscrew device.

Characteristics of the fast electron emission produced during the ...

Indian Academy of Sciences (India)

water adsorption and other characteristics of the fast electron emission ..... that the surface charges which leak away when there is adosrbed water on ... implies that it is a measure of the supply of excited species rather than due to the charge.

The quantum dynamics of electronically nonadiabatic chemical reactions

Science.gov (United States)

Truhlar, Donald G.

1993-01-01

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally

Identification of equilibrium and irradiation-induced defects in nuclear ceramics: electronic structure calculations of defect properties and positron annihilation characteristics

International Nuclear Information System (INIS)

Wiktor, Julia

2015-01-01

During in-pile irradiation the fission of actinide nuclei causes the creation of large amounts of defects, which affect the physical and chemical properties of materials inside the reactor, in particular the fuel and structural materials. Positron annihilation spectroscopy (PAS) can be used to characterize irradiation induced defects, empty or containing fission products. This non-destructive experimental technique involves detecting the radiation generated during electron-positron annihilation in a sample and deducing the properties of the material studied. As positrons get trapped in open volume defects in solids, by measuring their lifetime and momentum distributions of the annihilation radiation, one can obtain information on the open and the chemical environments of the defects. In this work electronic structure calculations of positron annihilation characteristics were performed using two-component density functional theory (TCDFT). To calculate the momentum distributions of the annihilation radiation, we implemented the necessary methods in the open-source ABINIT program. The theoretical results have been used to contribute to the identification of the vacancy defects in two nuclear ceramics, silicon carbide (SiC) and uranium dioxide (UO 2 ). (author) [fr

Physical, chemical and texture characteristics of Aro cheese

Directory of Open Access Journals (Sweden)

González, M.L.

2017-10-01

Full Text Available In 2016, Mexico’s total annual production of cheese was 375,181 tons. Cheese is widely consumed among all socioeconomic groups, and the decision to purchase this product is based on income, with a wide variety of cheeses, brands, and styles available. The fresco cheese is the most popular type and is mostly produced according to traditional or artisanal methods in small family businesses, and small and medium-sized enterprises. It is made with the milk of the producers' livestock, giving it an added value. In Mexico, however, there is not enough scientific information related to the characterization of various dairy products of artisanal production, for example, Aro cheese. The aim of the present study was to define the physical, chemical, and rheological characteristics of the Aro cheese that is commercialized in Teotitlán de Flores Magón, Oaxaca, Mexico. Twenty-four samples of Aro cheese were collected in four establishments with high sales in Teotitlán de Flores Magón, Oaxaca, for analysis physical (Diameter, weight, height and color, chemical (pH, acidity, aw, chlorides, moisture, ashes, protein and fat, and texture (hardness, springiness, adhesiveness and cohesiveness. No difference was found in weight, diameter, height, and color (L* and b*. However, differences in hardness and cohesiveness were found. Although Aro cheese is characterized as an enzymatically coagulated cheese, pH values of 5.82 to 6.08 were recorded, and the data relating to moisture, protein, fat, and chlorides are similar to other Mexican fresh cheeses. The cheese of Aro that is commercialized in Teotitlán de Flores Magón, presents similar physical, chemical and texture characteristics to other fresh cheeses of artisanal production.

Inner-shell electron spectroscopy for microanalysis

International Nuclear Information System (INIS)

Joy, D.C.; Maher, D.M.

1979-01-01

The transmission electron energy-loss spectrum shows characteristic edges corresponding to the excitation of inner-shell electrons of atoms in a thin sample. Analysis of these edges provides detailed chemical, structural, and electronic data from the radiated volume. By combining electron spectroscopy and electron microscopy, this microanalytical technique can be performed in conjunction with high-resolution imaging of the sample. It is shown that this approach has advantages of sensitivity, spatial resolution, and convenience over other comparable techniques. 7 figures

Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy.

Science.gov (United States)

Skowron, Stephen T; Chamberlain, Thomas W; Biskupek, Johannes; Kaiser, Ute; Besley, Elena; Khlobystov, Andrei N

2017-08-15

The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in this field, and to outline the opportunities in studying chemical reactions under the electron beam (e-beam). During TEM imaging of an individual molecule adsorbed on an atomically thin substrate, such as graphene or a carbon nanotube, the e-beam transfers kinetic energy to atoms of the molecule, displacing them from equilibrium positions. Impact of the e-beam triggers bond dissociation and various chemical reactions which can be imaged concurrently with their activation by the e-beam and can be presented as stop-frame movies. This experimental approach, which we term ChemTEM, harnesses energy transferred from the e-beam to the molecule via direct interactions with the atomic nuclei, enabling accurate predictions of bond dissociation events and control of the type and rate of chemical reactions. Elemental composition and structure of the reactant molecules as well as the operating conditions of TEM (particularly the energy of the e-beam) determine the product formed in ChemTEM processes, while the e-beam dose rate controls the reaction rate. Because the e-beam of TEM acts simultaneously as a source of energy for the reaction and as an imaging tool monitoring the same reaction, ChemTEM reveals atomic-level chemical information, such as pathways of reactions imaged for individual molecules, step-by-step and in real time; structures of illusive reaction intermediates; and direct comparison of catalytic activity of different transition metals filmed with atomic resolution. Chemical transformations in ChemTEM often lead to previously unforeseen products, demonstrating the potential of this method to become not only an analytical tool for studying reactions, but also a powerful instrument for discovery of materials that can be synthesized on preparative scale.

Graphene-Based Chemical Vapor Sensors for Electronic Nose Applications

Science.gov (United States)

Nallon, Eric C.

An electronic nose (e-nose) is a biologically inspired device designed to mimic the operation of the olfactory system. The e-nose utilizes a chemical sensor array consisting of broadly responsive vapor sensors, whose combined response produces a unique pattern for a given compound or mixture. The sensor array is inspired by the biological function of the receptor neurons found in the human olfactory system, which are inherently cross-reactive and respond to many different compounds. The use of an e-nose is an attractive approach to predict unknown odors and is used in many fields for quantitative and qualitative analysis. If properly designed, an e-nose has the potential to adapt to new odors it was not originally designed for through laboratory training and algorithm updates. This would eliminate the lengthy and costly R&D costs associated with materiel and product development. Although e-nose technology has been around for over two decades, much research is still being undertaken in order to find new and more diverse types of sensors. Graphene is a single-layer, 2D material comprised of carbon atoms arranged in a hexagonal lattice, with extraordinary electrical, mechanical, thermal and optical properties due to its 2D, sp2-bonded structure. Graphene has much potential as a chemical sensing material due to its 2D structure, which provides a surface entirely exposed to its surrounding environment. In this configuration, every carbon atom in graphene is a surface atom, providing the greatest possible surface area per unit volume, so that electron transport is highly sensitive to adsorbed molecular species. Graphene has gained much attention since its discovery in 2004, but has not been realized in many commercial electronics. It has the potential to be a revolutionary material for use in chemical sensors due to its excellent conductivity, large surface area, low noise, and versatile surface for functionalization. In this work, graphene is incorporated into a

Influence of chemical and physical characteristics of cement kiln dusts (CKDs) on their hydration behavior and potential suitability for soil stabilization

International Nuclear Information System (INIS)

Peethamparan, Sulapha; Olek, Jan; Lovell, Janet

2008-01-01

The interaction of CKDs with a given soil depends on the chemical and physical characteristics of the CKDs. Hence, the characterization of CKDs and their hydration products may lead to better understanding of their suitability as soil stabilizers. In the present article, four different CKD powders are characterized and their hydration products are evaluated. A detailed chemical (X-ray diffraction), thermogravimetric and morphological (scanning electron microscope) analyses of both the CKD powders and the hydrated CKD pastes are presented. In general, high free-lime content (∼ 14-29%) CKDs, when reacted with water produced significant amounts of calcium hydroxide, ettringite and syngenite. These CKDs also developed higher unconfined compressive strength and higher temperature of hydration compared to CKDs with lower amounts of free-lime. An attempt was made to qualitatively correlate the performance of CKD pastes with the chemical and physical characteristics of the original CKD powders and to determine their potential suitability as soil stabilizers. To that effect a limited unconfined compressive strength testing of CKD-treated kaolinite clays was performed. The results of this study suggest that both the compressive strength and the temperature of hydration of the CKD paste can give early indications of the suitability of particular CKD for soil stabilization

Quantifying Chemical and Electrochemical Reactions in Liquids by in situ Electron Microscopy

DEFF Research Database (Denmark)

Canepa, Silvia

and developing a robust imaging analysis method for quantitatively understand chemical and electrochemical process during in situ liquid electron microscopy. By using two custom-made liquid cells (an electrochemical scanning electron microscopy (EC-SEM) platform and Liquid Flow S/TEM holder) beam...... of electrochemical deposition of copper (Cu) by electrochemical liquid scanning electron microscopy (EC-SEM) was done in order to direct observe the formation of dendritic structures. Finally the shape evolution from solid to hollow structures through galvanic replacement reactions were observed for different silver...

Analysis of abused drugs by selected ion monitoring: quantitative comparison of electron impact and chemical ionization

International Nuclear Information System (INIS)

Foltz, R.L.; Knowlton, D.A.; Lin, D.C.K.; Fentiman, A.F. Jr.

1975-01-01

A comparison was made of the relative sensitivities of electron impact and chemical ionization when used for selected ion monitoring analysis of commonly abused drugs. For most of the drugs examined chemical ionization using ammonia as the reactant gas gave the largest single m/e ion current response per unit weight of sample. However, if maximum sensitivity is desired it is important to evaluate electron impact and chemical ionization with respect to both maximum response and degree of interference from background and endogenous materials

Physico-chemical characteristics and fatty acid profile of desert date ...

African Journals Online (AJOL)

Because of its growing importance as a source of food and income for dryland communities, an assessment of the physico-chemical characteristics and fatty acid profile of kernel oil in Uganda was carried out. Balanites fruit samples were collected from Katakwi, Adjumani and Moroto districts; representing the Teso, West ...

Noncovalent Interactions in Organic Electronic Materials

KAUST Repository

Ravva, Mahesh Kumar; Risko, Chad; Bredas, Jean-Luc

2017-01-01

In this chapter, we provide an overview of how noncovalent interactions, determined by the chemical structure of π-conjugated molecules and polymers, govern essential aspects of the electronic, optical, and mechanical characteristics of organic

Optimisation of electronic interface properties of a-Si:H/c-Si hetero-junction solar cells by wet-chemical surface pre-treatment

Energy Technology Data Exchange (ETDEWEB)

Angermann, H. [Hahn-Meitner-Institut, Abt. Siliziumphotovoltaik, Kekulestrasse 5, D-12489 Berlin (Germany)], E-mail: angermann@hmi.de; Korte, L.; Rappich, J.; Conrad, E.; Sieber, I.; Schmidt, M. [Hahn-Meitner-Institut, Abt. Siliziumphotovoltaik, Kekulestrasse 5, D-12489 Berlin (Germany); Huebener, K.; Hauschild, J. [Freie Universitaet Berlin, FB Physik, Arnimallee 14, 14195 Berlin (Germany)

2008-08-30

The relation between structural imperfections at structured silicon surfaces, energetic distribution of interface state densities, recombination loss at a-Si:H/c-Si interfaces and solar cell characteristics have been intensively investigated using non-destructive, surface sensitive techniques, surface photovoltage (SPV) and photoluminescence (PL) measurements, atomic force microscopy (AFM) and electron microscopy (SEM). Sequences of wet-chemical oxidation and etching steps were optimised with respect to the etching behaviour of Si(111) pyramids. Special wet-chemical smoothing and oxide removal procedures for structured substrates were developed, in order to reduce the preparation-induced surface micro-roughness and density of electronically active defects. H-termination and passivation by wet-chemical oxides were used to inhibit surface contamination and native oxidation during the technological process. We achieved significantly lower micro-roughness, densities of surface states D{sub it}(E) and recombination loss at a-Si:H/c-Si interfaces on wafers with randomly distributed pyramids, compared to conventional pre-treatments. For amorphous-crystalline hetero-junction solar cells (ZnO/a-Si:H/c-Si/BSF/Al), the c-Si surface becomes part of the a-Si:H/c-Si interface, whose recombination activity determines cell performance. With textured substrates, the smoothening procedure results in a significant increase of short circuit current, fill factor and efficiency.

Optimisation of electronic interface properties of a-Si:H/c-Si hetero-junction solar cells by wet-chemical surface pre-treatment

International Nuclear Information System (INIS)

Angermann, H.; Korte, L.; Rappich, J.; Conrad, E.; Sieber, I.; Schmidt, M.; Huebener, K.; Hauschild, J.

2008-01-01

The relation between structural imperfections at structured silicon surfaces, energetic distribution of interface state densities, recombination loss at a-Si:H/c-Si interfaces and solar cell characteristics have been intensively investigated using non-destructive, surface sensitive techniques, surface photovoltage (SPV) and photoluminescence (PL) measurements, atomic force microscopy (AFM) and electron microscopy (SEM). Sequences of wet-chemical oxidation and etching steps were optimised with respect to the etching behaviour of Si(111) pyramids. Special wet-chemical smoothing and oxide removal procedures for structured substrates were developed, in order to reduce the preparation-induced surface micro-roughness and density of electronically active defects. H-termination and passivation by wet-chemical oxides were used to inhibit surface contamination and native oxidation during the technological process. We achieved significantly lower micro-roughness, densities of surface states D it (E) and recombination loss at a-Si:H/c-Si interfaces on wafers with randomly distributed pyramids, compared to conventional pre-treatments. For amorphous-crystalline hetero-junction solar cells (ZnO/a-Si:H/c-Si/BSF/Al), the c-Si surface becomes part of the a-Si:H/c-Si interface, whose recombination activity determines cell performance. With textured substrates, the smoothening procedure results in a significant increase of short circuit current, fill factor and efficiency

Chemical constituents of Sweetpotato genotypes in relation to textural characteristics of processed French fries

Science.gov (United States)

Sweetpotato French fries (SPFF) are growing in popularity but limited information is available on SPFF textural properties in relation to chemical composition. This study aimed to investigate the relationship between chemical components of different sweetpotato varieties and textural characteristics...

Out-of-equilibrium catalysis of chemical reactions by electronic tunnel currents.

Science.gov (United States)

Dzhioev, Alan A; Kosov, Daniel S; von Oppen, Felix

2013-04-07

We present an escape rate theory for current-induced chemical reactions. We use Keldysh nonequilibrium Green's functions to derive a Langevin equation for the reaction coordinate. Due to the out of equilibrium electronic degrees of freedom, the friction, noise, and effective temperature in the Langevin equation depend locally on the reaction coordinate. As an example, we consider the dissociation of diatomic molecules induced by the electronic current from a scanning tunnelling microscope tip. In the resonant tunnelling regime, the molecular dissociation involves two processes which are intricately interconnected: a modification of the potential energy barrier and heating of the molecule. The decrease of the molecular barrier (i.e., the current induced catalytic reduction of the barrier) accompanied by the appearance of the effective, reaction-coordinate-dependent temperature is an alternative mechanism for current-induced chemical reactions, which is distinctly different from the usual paradigm of pumping vibrational degrees of freedom.

Optimisation of electron beam characteristics by simulated annealing

International Nuclear Information System (INIS)

Ebert, M.A.; University of Adelaide, SA; Hoban, P.W.

1996-01-01

Full text: With the development of technology in the field of treatment beam delivery, the possibility of tailoring radiation beams (via manipulation of the beam's phase space) is foreseeable. This investigation involved evaluating a method for determining the characteristics of pure electron beams which provided dose distributions that best approximated desired distributions. The aim is to determine which degrees of freedom are advantageous and worth pursuing in a clinical setting. A simulated annealing routine was developed to determine optimum electron beam characteristics. A set of beam elements are defined at the surface of a homogeneous water equivalent phantom defining discrete positions and angles of incidence, and electron energies. The optimal weighting of these elements is determined by the (generally approximate) solution to the linear equation, Dw = d, where d represents the dose distribution calculated over the phantom, w the vector of (50 - 2x10 4 ) beam element relative weights, and D a normalised matrix of dose deposition kernels. In the iterative annealing procedure, beam elements are randomly selected and beam weighting distributions are sampled and used to perturb the selected elements. Perturbations are accepted or rejected according to standard simulated annealing criteria. The result (after the algorithm has terminated due to meeting an iteration or optimisation specification) is an approximate solution for the beam weight vector (w) specified by the above equation. This technique has been applied for several sample dose distributions and phase space restrictions. An example is given of the phase space obtained when endeavouring to conform to a rectangular 100% dose region with polyenergetic though normally incident electrons. For regular distributions, intuitive conclusions regarding the benefits of energy/angular manipulation may be made, whereas for complex distributions, variations in intensity over beam elements of varying energy and

Chemical Vapor-Deposited (CVD) Diamond Films for Electronic Applications

Science.gov (United States)

1995-01-01

Diamond films have a variety of useful applications as electron emitters in devices such as magnetrons, electron multipliers, displays, and sensors. Secondary electron emission is the effect in which electrons are emitted from the near surface of a material because of energetic incident electrons. The total secondary yield coefficient, which is the ratio of the number of secondary electrons to the number of incident electrons, generally ranges from 2 to 4 for most materials used in such applications. It was discovered recently at the NASA Lewis Research Center that chemical vapor-deposited (CVD) diamond films have very high secondary electron yields, particularly when they are coated with thin layers of CsI. For CsI-coated diamond films, the total secondary yield coefficient can exceed 60. In addition, diamond films exhibit field emission at fields orders of magnitude lower than for existing state-of-the-art emitters. Present state-of-the-art microfabricated field emitters generally require applied fields above 5x10^7 V/cm. Research on field emission from CVD diamond and high-pressure, high-temperature diamond has shown that field emission can be obtained at fields as low as 2x10^4 V/cm. It has also been shown that thin layers of metals, such as gold, and of alkali halides, such as CsI, can significantly increase field emission and stability. Emitters with nanometer-scale lithography will be able to obtain high-current densities with voltages on the order of only 10 to 15 V.

Physical, chemical and sensory characteristics of red guava (Psidium guajava) velva at different fruit ripening time

Science.gov (United States)

Ishartani, D.; Rahman, F. L. F.; Hartanto, R.; Utami, R.; Khasanah, L. U.

2018-01-01

This study purposed to determine the effect of red guava fruit ripening time on the physical (overrun and melting rate), chemical (vitamin C, pH, total dissolved solid) and sensory (color, taste, aroma, texture, and overall compare to control (without ripening) velva) characteristic of red guava velva. Red guava fruits were harvested at 90 days after flowering, ripened and then processed into velva. This research used Completely Randomized Design with fruit ripening time (without ripening, 4 days, and 6 days) as single factor. The research was conducted in triplicate. Chemical and physical characteristic data was analysed using One Way Analysis of Varian whether sensory characteristic data was analyzed using Independent Sample T-test. The result showed that fruit ripening time significantly affected the physical, chemical and sensory characteristic of the velva. Vitamin C, pH, and total solid of the velva were increased as the ripening time prolonged. In other hand, increasing of fruit ripening time decreased the overrun and melting rate of the velva. Red guava velva made from 6 days ripening had better sensory characteristics compared to velva made from red guava fruit without ripening or 4 day ripening. This research conclude that 6 days ripening time gives better chemical, physical and sensory characteristics of the velva compare to 4 days ripening time. Red guava fruits ripened for 6 days were recommended as raw material in velva making.

Burning characteristics of chemically isolated biomass ingredients

International Nuclear Information System (INIS)

Haykiri-Acma, H.; Yaman, S.; Kucukbayrak, S.

2011-01-01

This study was performed to investigate the burning characteristics of isolated fractions of a biomass species. So, woody shells of hazelnut were chemically treated to obtain the fractions of extractives-free bulk, lignin, and holocellulose. Physical characterization of these fractions were determined by SEM technique, and the burning runs were carried out from ambient to 900 o C applying thermal analysis techniques of TGA, DTG, DTA, and DSC. The non-isothermal model of Borchardt-Daniels was used to DSC data to find the kinetic parameters. Burning properties of each fraction were compared to those of the raw material to describe their effects on burning, and to interpret the synergistic interactions between the fractions in the raw material. It was found that each of the fractions has its own characteristic physical and thermal features. Some of the characteristic points on the thermograms of the fractions could be followed definitely on those of the raw material, while some of them seriously shifted to other temperatures or disappeared as a result of the co-existence of the ingredients. Also, it is concluded that the presence of hemicellulosics and celluloses makes the burning of lignin easier in the raw material compared to the isolated lignin. The activation energies can be arranged in the order of holocellulose < extractives-free biomass < raw material < lignin.

A new route to nanoscale tomographic chemical analysis: Focused ion beam-induced auger electron spectrosocpy

Science.gov (United States)

Parvaneh, Hamed

This research project is aimed to study the application of ion-induced Auger electron spectroscopy (IAES) in combination with the characteristics of focused ion beam (FIB) microscopy for performing chemical spectroscopy and further evaluate its potential for 3-dimensional chemical tomography applications. The mechanism for generation of Auger electrons by bombarding ions is very different from its electron induced counterpart. In the conventional electron-induced Auger electron spectroscopy (EAES), an electron beam with energy typically in the range 1-10kV is used to excite inner-shell (core) electrons of the solid. An electron from a higher electron energy state then de-excites to fill the hole and the extra energy is then transferred to either another electron, i.e. the Auger electron, or generation of an X-ray (photon). In both cases the emitting particles have charac-teristic energies and could be used to identify the excited target atoms. In IAES, however, large excitation cross sections can occur by promotion of in-ner shell electrons through crossing of molecular orbitals. Originally such phenomenological excitation processes were first proposed [3] for bi-particle gas phase collision systems to explain the generation of inner shell vacancies in violent collisions. In addition to excitation of incident or target atoms, due to a much heavier mass of ions compared to electrons, there would also be a substantial momentum transfer from the incident to the target atoms. This may cause the excited target atom to recoil from the lattice site or alternatively sputter off the surface with the possibility of de-excitation while the atom is either in motion in the matrix or traveling in vacuum. As a result, one could expect differences between the spectra induced by incident electrons and ions and interpretation of the IAE spectra requires separate consideration of both excitation and decay processes. In the first stage of the project, a state-of-the-art mass

Characteristics of isotope-selective chemical reactor with gas-separating device

International Nuclear Information System (INIS)

Gorshunov, N.M.; Kalitin, S.A.; Laguntsov, N.I.; Neshchimenko, Yu.P.; Sulaberidze, G.A.

1988-01-01

A study was made on characteristics of separating stage, composed of isotope-selective chemical (or photochemical) reactor and membrane separating cascade (MSC), designated for separation of isotope-enriched products from lean reagents. MSC represents the counterflow cascade for separation of two-component mixtures. Calculations show that for the process of carton isotope separation the electric power expences for MSC operation are equal to 20 kWxh/g of CO 2 final product at 13 C isotope content in it equal to 75%. Application of the membrane gas-separating cascade at rather small electric power expenses enables to perform cascading of isotope separation in the course of nonequilibrium chemical reactions

Electronic structure and chemical bonding in LaIrSi-type intermetallics

Energy Technology Data Exchange (ETDEWEB)

Matar, Samir F. [Bordeaux Univ., Pessac (France). CNRS; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Nakhl, Michel [Univ. Libanaise, Fanar (Lebanon). Ecole Doctorale Sciences et Technologies

2017-05-01

The cubic LaIrSi type has 23 representatives in aluminides, gallides, silicides, germanides, phosphides, and arsenides, all with a valence electron count of 16 or 17. The striking structural motif is a three-dimensional network of the transition metal (T) and p element (X) atoms with TX{sub 3/3} respectively XT{sub 3/3} coordination. Alkaline earth or rare earth atoms fill cavities within the polyanionic [TX]{sup δ-} networks. The present work presents a detailed theoretical study of chemical bonding in LaIrSi-type representatives, exemplarily for CaPtSi, BaIrP, BaAuGa, LaIrSi, CeRhSi, and CeIrSi. DFT-GGA-based electronic structure calculations show weakly metallic compounds with itinerant small magnitude DOSs at E{sub F} except for CeRhSi whose large Ce DOS at E{sub F} leads to a finite magnetization on Ce (0.73 μ{sub B}) and induced small moments of opposite sign on Rh and Si in a ferromagnetic ground state. The chemical bonding analyses show dominant bonding within the [TX]{sup δ-} polyanionic networks. Charge transfer magnitudes were found in accordance with the course of the electronegativites of the chemical constituents.

Effect of maturation on physico-chemical and sensory quality characteristics of custard apple wine

Directory of Open Access Journals (Sweden)

Vikas Kumar

2016-12-01

Full Text Available Recently, researchers have taken a shift to utilize the custard apple for wine preparation besides its major use in ice cream, confectionary and milk products. In the present study, an attempt has been made to study the effect of maturation on physico-chemical and sensory quality characteristics of custard apple wine. Custard apple wine was prepared as per the earlier standardized method. The wine so prepared was matured for six months. The physico-chemical analysis was conducted at every three months interval for six months and sensory evaluation was performed after six months of storage. With the maturation, a decrease in total soluble solids, total sugars, titratable acidity, ethanol, total phenols and tannins was observed, whereas, an increase in reducing sugars and pH was observed. All the sensory quality characteristics of custard apple wine increased with advancement of the maturation period except astringency. Cluster analysis of the data obtained from physico-chemical analysis revealed that there was no difference between three months and six months of storage. Physico-chemical characteristics of custard apple wine were reduced to two principal components using principal component analysis which accounted for 100% variation. In general, maturation for six months improved the quality of custard apple wine considerably.

Characteristics of post-disruption runaway electrons with impurity pellet injection

International Nuclear Information System (INIS)

Kawano, Yasunori; Nakano, Tomohide; Isayama, Akihiko; Asakura, Nobuyuki; Tamai, Hiroshi; Kubo, Hirotaka; Takenaga, Hidenobu; Bakhtiari, Mohammad; Ide, Shunsuke; Kondoh, Takashi; Hatae, Takaki

2005-01-01

Characteristics of post-disruption runaway electrons with impurity pellet injection were investigated for the first time using the JT-60U tokamak device. A clear deposition of impurity neon ice pellets was observed in a post-disruption runaway plasma. The pellet ablation was attributed to the energy deposition of relativistic runaway electrons in the pellet. A high normalized electron density was stably obtained with n e bar /n GW ∼2.2. Effects of prompt exhaust of runaway electrons and reduction of runaway plasma current without large amplitude MHD activities were found. One possible explanation for the basic behavior of runaway plasma current is that it follows the balance of avalanche generation of runaway electrons and slowing down predicted by the Andersson-Helander model, including the combined effect of collisional pitch angle scattering and synchrotron radiation. Our results suggested that the impurity pellet injection reduced the energy of runaway electrons in a stepwise manner. (author)

Study of chemical shifts of the chloroform complexes with cyclic donors of electrons

International Nuclear Information System (INIS)

Blaszkiewicz, B.; Pajak, Z.

1973-01-01

Chemical shifts of chloroform complexes with the heterocyclic electron donors: pyridine, piperidine, alpha-picoline and gamma-picoline have been studied using the high resolution (5.10 -9 ) spectrometer operating at 80 MHz. An attempt has also been made to study the three - component solutions of : chloroform, a heterocyclic donor of electrons and carbon tetrachloride. The results, which have been obtained, indicate that the complex-forming power of pyridine and other electron donors is greater in carbon tetrachloride than in other solvents. (S.B.)

Low-Energy Electron Scattering Data for Chemical Plasma Treatment of Biomass

International Nuclear Information System (INIS)

Lima, Marco A.P.

2014-01-01

Full text: Replacing fossil fuels with biofuels from renewable sources is an important goal for reducing greenhouse gas emissions. Many countries are already using few percent of ethanol in the gasoline and few of them, with more aggressive programs, have developed flex fuel engines that can run with any mixture of gasoline and ethanol. An important point is how to produce ethanol in a sustainable way and with which technology? Biomass is a good candidate since it has cellulose and hemicellulose as source of sugars. In order to liberate these sugars for fermentation, it is important to learn how to separate the main components. Chemical routes (acid treatment) and biological routes (enzymatic hydrolysis) are combined and used for these purposes. Atmospheric plasmas can be useful for attacking the biomass in a controlled manner and low-energy electrons may have an important role in the process. Recently we have been studying the interaction of electrons with lignin subunits (phenol, guaiacol, p-coumaryl alcohol), cellulose components, β-D-glucose and cellobiose (β(1 - 4) linked glucose dimer) and hemicellulose components (β-D-xylose). We also obtained results for the amylose subunits α-D-glucose and maltose (α(1 - 4) linked glucose dimer). Altogether, the resonance spectra of lignin, cellulose and hemicellulose components establish a physical–chemical basis for electron-induced biomass pretreatment that could be applied to biofuel production. In my talk I will give a progress report on this matter. We will also discuss microsolvation effects on the electron-phenol scattering process and present our strategy to study molecular dissociation through electronic excitation of low energy triplet states. (author)

Electrochemical/chemical oxidation of bisphenol A in a four-electron/two-proton process in aprotic organic solvents

International Nuclear Information System (INIS)

Chan, Ya Yun; Yue, Yanni; Li, Yongxin; Webster, Richard D.

2013-01-01

Graphical abstract: - Highlights: • Bisphenol A undergoes a chemically irreversible voltammetric oxidation process. • Chemical oxidation was performed to overcome adsorption effects that cause electrode fouling. • A new product was isolated from chemical oxidation with 4 mol equiv. of the one-electron oxidant, NO + . • The oxidative mechanism was proposed to be a four-electron/two-proton process. - Abstract: The electrochemical behavior of bisphenol A (BPA) was examined using cyclic voltammetry, bulk electrolysis and chemical oxidation in aprotic organic solvents. It was found that BPA undergoes a chemically irreversible voltammetric oxidation process to form compounds that cannot be electrochemically converted back to the starting materials on the voltammetric timescale. To overcome the effects of electrode fouling during controlled potential electrolysis experiments, NO + was used as a one-electron chemical oxidant. A new product, hydroxylated bisdienone was isolated from the chemical oxidation of BPA with 4 mol equiv of NO + SbF 6 − in low water content CH 3 CN. The structure of the cation intermediate species was deduced and it was proposed that BPA is oxidized in a four-electron/two-proton process to form a relatively unstable dication which reacts quickly in the presence of water in acetonitrile (in a mechanism that is similar to phenols in general). However, as the water content of the solvent increased it was found that the chemical oxidation mechanism produced a nitration product in high yield. The findings from this study provide useful insights into the reactions that can occur during oxidative metabolism of BPA and highlight the possibility of the role of a bisdienone cation as a reactive metabolite in biological systems

Nanostructured PLD-grown gadolinia doped ceria: Chemical and structural characterization by transmission electron microscopy techniques

DEFF Research Database (Denmark)

Rodrigo, Katarzyna Agnieszka; Wang, Hsiang-Jen; Heiroth, Sebastian

2011-01-01

The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss spec......, indicate apparent variation of the ceria valence state across and along the film. No element segregation to the grain boundaries is detected. These results are discussed in the context of solid oxide fuel cell applications.......The morphology as well as the spatially resolved elemental and chemical characterization of 10 mol% gadolinia doped ceria (CGO10) structures prepared by pulsed laser deposition (PLD) technique are investigated by scanning transmission electron microscopy accompanied with electron energy loss...... spectroscopy and energy dispersive X-ray spectroscopy. A dense, columnar and structurally inhomogeneous CGO10 film, i.e. exhibiting grain size refinement across the film thickness, is obtained in the deposition process. The cerium M4,5 edges, used to monitor the local electronic structure of the grains...

Molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl)benzothiazolate) zinc with excellent electron-transport characteristics

International Nuclear Information System (INIS)

Xu Huixia; Xu Bingshe; Fang Xiaohong; Yue Yan; Chen Liuqing; Wang Hua; Hao Yuying

2011-01-01

Highlights: → The synthesis, crystal structure and photophysical properties of Zn(4-MeBTZ) 2 were reported. → The electron-transport property was investigated by theoretical calculations and experimental. → We found that Zn(4-MeBTZ) 2 has a higher electron mobility than that of [Zn(BTZ) 2 ] 2 and the devices based on it have a lower turn-on voltage. - Abstract: In this article, the molecular structure, photoluminescent and electroluminescent properties of bis(2-(4-methyl-2-hydroxyphenyl) benzothiazolate) zinc (Zn(4-MeBTZ) 2 ) with good electron-transport characteristics were reported. This complex was identified as triclinic structure with the strong intermolecular π-π stacking interactions between the benzothiazolate/phenoxido rings and weak intramolecular hydrogen bonds by X-ray single-crystal diffraction. Quantum chemical method has been employed to investigate electron structure and charge transport property. The blue-green light emission was observed by fabricating double-layer devices using Zn(4-MeBTZ) 2 as electron-transport and NPB as hole-transport material. The performance of organic light-emitting devices based on Zn(4-MeBTZ) 2 is much better than that of the devices based on [Zn(BTZ) 2 ] 2 .

The electronic structure of VO in its ground and electronically excited states: A combined matrix isolation and quantum chemical (MRCI) study

International Nuclear Information System (INIS)

Hübner, Olaf; Hornung, Julius; Himmel, Hans-Jörg

2015-01-01

The electronic ground and excited states of the vanadium monoxide (VO) molecule were studied in detail. Electronic absorption spectra for the molecule isolated in Ne matrices complement the previous gas-phase spectra. A thorough quantum chemical (multi-reference configuration interaction) study essentially confirms the assignment and characterization of the electronic excitations observed for VO in the gas-phase and in Ne matrices and allows the clarification of open issues. It provides a complete overview over the electronically excited states up to about 3 eV of this archetypical compound

Application of electron-chemical curing in the production of thin composite materials

International Nuclear Information System (INIS)

Kopetchenov, V.; Shik, V.; Konev, V.; Kurapov, A.; Misin, I.; Gavrilov, V.; Malik, V.

1993-01-01

Thousands of tons of various thin composite materials in rolls for electrotechnical and domestic application including a whole range of electrical insulating materials, such as varnished and polymer fabrics, glass-micatapes, prepregs, thin laminated plastics and clad laminates, materials for decorative and domestic purposes - pressure sensitive adhesive tape and laminates, covering and finishing compositions based on fabrics, films and papers are produced. An important advantage of the electron-chemical processing in the production of composite materials is an essential energy saving (reduction of energy consumption 3-5 times). Absence of the organic diluents in binders decreases fire and explosion hazards of the production and sufficiently decreases danger for the environment of the technology used. Research and Production Company ''Polyrad'' is engaged in the development of technologies and equipment for the production of thin composite materials by the Electron-Chemical Method. (author)

Modeling the characteristic etch morphologies along specific crystallographic orientations by anisotropic chemical etching

Directory of Open Access Journals (Sweden)

Kun-Dar Li

2018-02-01

Full Text Available To improve the advanced manufacturing technology for functional materials, a sophisticated control of chemical etching process is highly demanded, especially in the fields of environment and energy related applications. In this study, a phase-field-based model is utilized to investigate the etch morphologies influenced by the crystallographic characters during anisotropic chemical etching. Three types of etching modes are inspected theoretically, including the isotropic, and preferred oriented etchings. Owing to the specific etching behavior along the crystallographic directions, different characteristic surface structures are presented in the simulations, such as the pimple-like, pyramidal hillock and ridge-like morphologies. In addition, the processing parameters affecting the surface morphological formation and evolution are also examined systematically. According to the numerical results, the growth mechanism of surface morphology in a chemical etching is revealed distinctly. While the etching dynamics plays a dominant role on the surface formation, the characteristic surface morphologies corresponding to the preferred etching direction become more apparent. As the atomic diffusion turned into a determinative factor, a smoothened surface would appear, even under the anisotropic etching conditions. These simulation results provide fundamental information to enhance the development and application of anisotropic chemical etching techniques.

Modeling the characteristic etch morphologies along specific crystallographic orientations by anisotropic chemical etching

Science.gov (United States)

Li, Kun-Dar; Miao, Jin-Ru

2018-02-01

To improve the advanced manufacturing technology for functional materials, a sophisticated control of chemical etching process is highly demanded, especially in the fields of environment and energy related applications. In this study, a phase-field-based model is utilized to investigate the etch morphologies influenced by the crystallographic characters during anisotropic chemical etching. Three types of etching modes are inspected theoretically, including the isotropic, and preferred oriented etchings. Owing to the specific etching behavior along the crystallographic directions, different characteristic surface structures are presented in the simulations, such as the pimple-like, pyramidal hillock and ridge-like morphologies. In addition, the processing parameters affecting the surface morphological formation and evolution are also examined systematically. According to the numerical results, the growth mechanism of surface morphology in a chemical etching is revealed distinctly. While the etching dynamics plays a dominant role on the surface formation, the characteristic surface morphologies corresponding to the preferred etching direction become more apparent. As the atomic diffusion turned into a determinative factor, a smoothened surface would appear, even under the anisotropic etching conditions. These simulation results provide fundamental information to enhance the development and application of anisotropic chemical etching techniques.

Detailed Characteristics of Radiation Belt Electrons Revealed by CSSWE/REPTile Measurements

Science.gov (United States)

Zhang, K.; Li, X.; Schiller, Q.; Gerhardt, D. T.; Millan, R. M.

2016-12-01

The outer radiation belt electrons are highly dynamic. We study the detailed characteristics of the relativistic electrons in the outer belt using measurements from the Colorado Student Space Weather Experiment (CSSWE) mission, a low Earth orbit Cubesat, which transverses the radiation belt four times in one orbit ( 1.5 hr) and has the advantage of measuring the dynamic activities of the electrons including their rapid precipitations. Among the features of the relativistic electrons, we show the measured electron distribution as a function of geomagnetic activities and local magnetic field strength. Moreover, a specific precipitation band, which happened on 19 Jan 2013, is investigated based on the conjunctive measurement of CSSWE and the Balloon Array for Radiation belt Relativistic Electron Losses (BARREL). In this precipitation band event, the net loss of the 0.58 1.63 MeV electrons (L=3.5 6) is estimated to account for 6.84% of the total electron content.

Graphene Electronic Device Based Biosensors and Chemical Sensors

Science.gov (United States)

Jiang, Shan

Two-dimensional layered materials, such as graphene and MoS2, are emerging as an exciting material system for a new generation of atomically thin electronic devices. With their ultrahigh surface to volume ratio and excellent electrical properties, 2D-layered materials hold the promise for the construction of a generation of chemical and biological sensors with unprecedented sensitivity. In my PhD thesis, I mainly focus on graphene based electronic biosensors and chemical sensors. In the first part of my thesis, I demonstrated the fabrication of graphene nanomesh (GNM), which is a graphene thin film with a periodic array of holes punctuated in it. The periodic holes introduce long periphery active edges that provide a high density of functional groups (e.g. carboxylic groups) to allow for covalent grafting of specific receptor molecules for chemical and biosensor applications. After covalently functionalizing the GNM with glucose oxidase, I managed to make a novel electronic sensor which can detect glucose as well as pH change. In the following part of my thesis I demonstrate the fabrication of graphene-hemin conjugate for nitric oxide detection. The non-covalent functionalization through pi-pi stacking interaction allows reliable immobilization of hemin molecules on graphene without damaging the graphene lattice to ensure the highly sensitive and specific detection of nitric oxide. The graphene-hemin nitric oxide sensor is capable of real-time monitoring of nitric oxide concentrations, which is of central importance for probing the diverse roles of nitric oxide in neurotransmission, cardiovascular systems, and immune responses. Our studies demonstrate that the graphene-hemin sensors can respond rapidly to nitric oxide in physiological environments with sub-nanomolar sensitivity. Furthermore, in vitro studies show that the graphene-hemin sensors can be used for the detection of nitric oxide released from macrophage cells and endothelial cells, demonstrating their

Thermoluminescent characteristics of CaSO4:Dy+PTFE irradiated with high energy electron beams

International Nuclear Information System (INIS)

Alvarez, R.; Rivera, T.; Calderon, J. A.; Jimenez, Y.; Rodriguez, J.; Oviedo, O.; Azorin, J.

2011-10-01

In the present work thermoluminescent response of dysprosium doped calcium sulfate embedded in polytetrafluorethylene (CaSO 4 :Dy+PTFE) under high electron beam irradiations from linear accelerator for clinical applications was investigated. The irradiations were carried out using high electron beams (6 to 18 MeV) from a linear accelerator Varian, C linac 2300C/D, for clinical practice purpose. The electron irradiations were obtained by using the water solid in order to guarantee electronic equilibrium conditions. Field shaping for electron beams was obtained with electron cones. Glow curve and other thermoluminescent characteristics of CaSO 4 :Dy+PTFE were conducted under high electron beams irradiations. The thermoluminescent response of the pellets showed and intensity peak centered at around 235 C. Thermoluminescent response of CaSO 4 :Dy+PTFE as a function of high electron absorbed dose showed a linearity in a wide range. To obtain reproducibility characteristic, a set of pellets were exposed repeatedly for the same electron absorbed dose. The results obtained in this study can suggest the applicability of CaSO 4 :Dy+PTFE pellets for high electron beam dosimetry, provided fading is correctly accounted for. (Author)

Application of electron-chemical curing in the production of thin composite materials

Energy Technology Data Exchange (ETDEWEB)

Kopetchenov, V.; Shik, V.; Konev, V.; Kurapov, A.; Misin, I.; Gavrilov, V.; Malik, V. (Polyrad Research and Production Co., Moscow (Russian Federation))

Thousands of tons of various thin composite materials in rolls for electrotechnical and domestic application including a whole range of electrical insulating materials, such as varnished and polymer fabrics, glass-micatapes, prepregs, thin laminated plastics and clad laminates, materials for decorative and domestic purposes - pressure sensitive adhesive tape and laminates, covering and finishing compositions based on fabrics, films and papers are produced. An important advantage of the electron-chemical processing in the production of composite materials is an essential energy saving (reduction of energy consumption 3-5 times). Absence of the organic diluents in binders decreases fire and explosion hazards of the production and sufficiently decreases danger for the environment of the technology used. Research and Production Company ''Polyrad'' is engaged in the development of technologies and equipment for the production of thin composite materials by the Electron-Chemical Method. (author).

A comparison of chemical and ionization dosimetry for high-energy x-ray and electron beams

International Nuclear Information System (INIS)

Durocher, J.J.; Boese, H.; Cormack, D.V.; Holloway, A.F.

1981-01-01

A comparison was made of ferrous sulfate (Fricke) and ionometric methods for determining the absorbed dose in a phantom irradiated with 4-MV x-rays, 25-MV x-rays, or electron beams having various incident energies between 10 and 32 MeV. Both chemical and ionization instruments were calibrated in a 60 Co beam at a point in water where the absorbed dose had been previously determined. The chemical yield measurements were corrected for spatial variations in dose within the volume of the solution and used to obtain a value of the absorbed dose for each of the x-ray and electron beams. The ratios of G-values required for these determinations were taken from ICRU reports 14 and 21. Ionization instrument readings from three types of commercial ionization chambers were used to obtain alternate values of the absorbed dose for each radiation. C lambda and CE values used in determining these ionization values of dose were also taken from the above ICRU reports. For 4-MV x-rays the values of absorbed dose obtained from chemical measurements agreed to within 0.5% with values obtained from ionization measurements; for 25-MV x-rays the chemical values were about 1% higher than the ionization values; for the electron beams the chemical values were 1%-4% below the ionization values. These discrepancies suggest an inconsistency among the recommended G, C lambda, and CE values similar to that which has been noted by other workers

Characteristics of a cold cathode electron source combined with secondary electron emission in a FED

International Nuclear Information System (INIS)

Lei Wei; Zhang Xiaobing; Zhou Xuedong; Zhu Zuoya; Lou Chaogang; Zhao Hongping

2005-01-01

In electron beam devices, the voltage applied to the cathode (w.r.t. grid voltage) provides the initial energy for the electrons. Based on the type of electron emission, the electron sources are (mainly) classified into thermionic cathodes and cold cathodes. The power consumption of a cold cathode is smaller than that of a thermionic cathode. The delay time of the electron emission from a cold cathode following the voltage rise is also smaller. In cathode ray tubes, field emission display (=FED) panels and other devices, the electron current emitted from the cathode needs to be modulated. Since the strong electric field, which is required to extract electrons from the cold cathode, accelerates the electrons to a high velocity near the gate electrode, the required voltage swing for the current modulation is also high. The design of the driving circuit becomes quite difficult and expensive for a high driving voltage. In this paper, an insulator plate with holes is placed in front of a cold cathode. When the primary electrons hit the surface of the insulator tunnels, secondary electrons are generated. In this paper, the characteristics of the secondary electrons emitted from the gate structure are studied. Because the energies of the secondary electrons are smaller than that of the primary electron, the driving voltage for the current modulation is decreased by the introduction of the insulator tunnels, resulting in an improved energy uniformity of the electron beam. Triode structures with inclined insulator tunnels and with double insulator plates are also fabricated and lead to further improvements in the energy uniformity. The improved energy uniformity predicted by the simulation calculations is demonstrated by the improved brightness uniformity in the screen display images

Physical-chemical characteristics of whitening toothpaste and evaluation of its effects on enamel roughness

Directory of Open Access Journals (Sweden)

Sérgio Paulo Hilgenberg

2011-08-01

Full Text Available This in vitro study evaluated the physical-chemical characteristics of whitening toothpastes and their effect on bovine enamel after application of a bleaching agent (16% carbamide peroxide. Physical-chemical analysis was made considering mass loss by desiccation, ash content and pH of the toothpastes. Thirty bovine dental enamel fragments were prepared for roughness measurements. The samples were subjected to bleaching treatments and simulated brushing: G1. Sorriso Dentes Brancos (Conventional toothpaste, G2. Close-UP Whitening (Whitening toothpaste, and G3. Sensodyne Branqueador (Whitening toothpaste. The average roughness (Ra was evaluated prior to the bleaching treatment and after brushing. The results revealed differences in the physical-chemical characteristics of the toothpastes (p < 0.0001. The final Ra had higher values (p < 0.05 following the procedures. The mean of the Ra did not show significant differences, considering toothpaste groups and bleaching treatment. Interaction (toothpaste and bleaching treatment showed significant difference (p < 0.0001. The whitening toothpastes showed differences in their physical-chemical properties. All toothpastes promoted changes to the enamel surface, probably by the use of a bleaching agent.

Potassium selective chemically modified field effect transistors based on AlGaN/GaN two-dimensional electron gas heterostructures.

Science.gov (United States)

Alifragis, Y; Volosirakis, A; Chaniotakis, N A; Konstantinidis, G; Adikimenakis, A; Georgakilas, A

2007-06-15

We investigate the use of the AlGaN/GaN high electron mobility transistor (HEMT) as a novel transducer for the development of ion-selective chemically modified HEMT sensors (ChemHEMTs). For this, polyvinyl chloride (PVC) membrane doped with ion-selective ionophores is deposited onto the area of the gate for the chemical recognition step, while the AlGaN/GaN HEMT is used as the transducer. In particular, the use of a valinocycin doped membrane with thickness of 50 microm generates a sensor with excellent analytical characteristics for the monitoring of K(+). The K(+)-ChemHEMT has sensitivity of 52.4 mV/pK(+)in the linear range of 10(-5) to 10(-2)M, while the detection limit is in the order of 3.1 x 10(-6)M. Also, the sensor shows selectivity similar to valinomycin-based ISEs, while the signal stability over time and the measurement to measurement reproducibility are very good.

Effects of electron beam irradiation on tribological and physico-chemical properties of Polyoxymethylene copolymer (POM-C)

Energy Technology Data Exchange (ETDEWEB)

Rahman, Md. Shahinur; Shaislamov, Ulugbek; Yang, Jong-Keun [Nuclear Fusion and Plasma Applications Laboratory, Department of Nuclear and Energy Engineering, Jeju National University, 102 Jejudaehak-ro, Jeju-si, Jeju 63243 (Korea, Republic of); Kim, Jong-Kuk [Plasma Processing Laboratory, Division of Surface Technology, Korea Institute of Materials Science, 797 Changwondaero, Sungsan-Gu, Changwon, Kyungnam 641-010 (Korea, Republic of); Yu, Young Hun [Department of Physics, Jeju National University, 102 Jejudaehak-ro, Jeju-si, Jeju 63243 (Korea, Republic of); Choi, Sooseok [Nuclear Fusion and Plasma Applications Laboratory, Department of Nuclear and Energy Engineering, Jeju National University, 102 Jejudaehak-ro, Jeju-si, Jeju 63243 (Korea, Republic of); Lee, Heon-Ju, E-mail: hjlee@jejunu.ac.kr [Nuclear Fusion and Plasma Applications Laboratory, Department of Nuclear and Energy Engineering, Jeju National University, 102 Jejudaehak-ro, Jeju-si, Jeju 63243 (Korea, Republic of)

2016-11-15

Highlights: • Electron beam dose irradiation effect on tribology of POM-C was investigated. • Raman and FTIR-ATR spectra confirm the chemical structural modification. • 1 MeV, 100 kGy dose irradiation induced well suited carbonization and hydrophobicity. • Well suited carbonization and hydrophobicity reduced friction coefficient. - Abstract: Polyoxymethylene copolymer (POM-C) is an attractive and widely used engineering thermoplastic across many industrial sectors owing to outstanding physical, mechanical, self-lubricating and chemical properties. In this research work, the POM-C blocks were irradiated with 1 MeV electron beam energy in five doses (100, 200, 300, 500 and 700 kGy) in vacuum condition at room temperature. The tribological and physico-chemical properties of electron beam irradiated POM-C blocks have been analyzed using pin on disk tribometer, Raman spectroscopy, FTIR-ATR, gel content analysis, SEM-EDS (scanning electron microscopy-energy dispersive spectroscopy), surface profiler and contact angle analyzer. Electron beam irradiation at a dose of 100 kGy resulted in decrease of the friction coefficient of POM-C block due to well suited carbonization, cross-linking, free radicals formation and partial physical modification. It also showed the lowest surface roughness and highest water contact angle among all unirradiated and irradiated POM-C blocks. The irradiation dose at 200 kGy resulted in increase of friction coefficient due to less effective cross-linking, but the irradiation doses at 300, 500 and 700 kGy resulted in increase of the friction coefficient as compared to unirradiated POM-C block due to severe chain scission, chemical and physical structural degradation. The degree of improvement for tribological attribute relies on the electron beam surface dose delivered (energy and dose rate).

Fracture characteristics of uranium alloys by scanning electron microscopy

International Nuclear Information System (INIS)

Koger, J.W.; Bennett, R.K. Jr.

1976-10-01

The fracture characteristics of uranium alloys were determined by scanning electron microscopy. The fracture mode of stress-corrosion cracking (SCC) of uranium-7.5 weight percent niobium-2.5 weight percent zirconium (Mulberry) alloy, uranium--niobium alloys, and uranium--molybdenum alloys in aqueous chloride solutions is intergranular. The SCC fracture surface of the Mulberry alloy is characterized by very clean and smooth grain facets. The tensile-overload fracture surfaces of these alloys are characteristically ductile dimple. Hydrogen-embrittlement failures of the uranium alloys are brittle and the fracture mode is transgranular. Fracture surfaces of the uranium-0.75 weight percent titanium alloys are quasi cleavage

DFT modeling of the electronic and magnetic structures and chemical bonding properties of intermetallic hydrides

International Nuclear Information System (INIS)

Al Alam, A.F.

2009-06-01

This thesis presents an ab initio study of several classes of intermetallics and their hydrides. These compounds are interesting from both a fundamental and an applied points of view. To achieve this aim two complementary methods, constructed within the DFT, were chosen: (i) pseudo potential based VASP for geometry optimization, structural investigations and electron localization mapping (ELF), and (ii) all-electrons ASW method for a detailed description of the electronic structure, chemical bonding properties following different schemes as well as quantities depending on core electrons such as the hyperfine field. A special interest is given with respect to the interplay between magneto-volume and chemical interactions (metal-H) effects within the following hydrided systems: binary Laves (e.g. ScFe 2 ) and Haucke (e.g. LaNi 5 ) phases on one hand, and ternary cerium based (e.g. CeRhSn) and uranium based (e.g. U 2 Ni 2 Sn) alloys on the other hand. (author)

Characteristics of electronic patient-provider messaging system utilisation in an urban health care organisation

Directory of Open Access Journals (Sweden)

Sean Patrick Mikles

2014-12-01

Full Text Available Introduction Research suggests that electronic messaging can improve patient engagement. Studies indicate that a ‘digital divide’ may exist, where certain patient populations may be using electronic messaging less frequently. This study aims to determine which patient characteristics are associated with different levels of usage of an electronic patient-provider messaging system in a diverse urban population.Methods Cross-sectional electronic health record data were extracted for patients 10 years of age or older who live in New York City and who visited a set of clinics between 1 July 2011 and 30 June 2012. Regression analyses determined which participant characteristics were associated with the sending of electronic messages.Results Older, female, English-speaking participants of white race who received more messages, had any diagnoses, more office visits and a provider who sent messages were more likely to send more messages. Non-Millennial, non-white participants who received fewer messages, had more office visits, any diagnoses, a provider who saw fewer patients with patient portal accounts, lived in a low socioeconomic status neighbourhood, and did not have private insurance were more likely to send zero messages.Conclusion This study found significant differences in electronic messaging usage based on demographic, socioeconomic and health-related patient characteristics. Future studies are needed to support these results and determine the causes of observed associations.

Characteristics and performances of electronic personal dosemeters

International Nuclear Information System (INIS)

Aubert, B.

2002-01-01

The regulations have made obligation for 2 years to measure and analyse the amounts of radiations actually received during an operation. The whole of these measurements taken uninterrupted for an immediate reading is indicated like the operational dosimetry, which is carried out with the means of personal electronic dosemeters. This study analyses the legislation relating to this type of dosimetry as well as the requirements in medical environment, and presents an assessment of the characteristics and performances of the devices available on the French market at the beginning of 2002 starting from the information provided by the various manufacturers. (author)

Electronic Structure and I- V Characteristics of InSe Nanoribbons

Science.gov (United States)

Yao, A.-Long; Wang, Xue-Feng; Liu, Yu-Shen; Sun, Ya-Na

2018-04-01

We have studied the electronic structure and the current-voltage ( I-V) characteristics of one-dimensional InSe nanoribbons using the density functional theory combined with the nonequilibrium Green's function method. Nanoribbons having bare or H-passivated edges of types zigzag (Z), Klein (K), and armchair (A) are taken into account. Edge states are found to play an important role in determining their electronic properties. Edges Z and K are usually metallic in wide nanoribbons as well as their hydrogenated counterparts. Transition from semiconductor to metal is observed in hydrogenated nanoribbons HZZH as their width increases, due to the strong width dependence of energy difference between left and right edge states. Nevertheless, electronic structures of other nanoribbons vary with the width in a very limited scale. The I-V characteristics of bare nanoribbons ZZ and KK show strong negative differential resistance, due to spatial mismatch of wave functions in energy bands around the Fermi energy. Spin polarization in these nanoribbons is also predicted. In contrast, bare nanoribbons AA and their hydrogenated counterparts HAAH are semiconductors. The band gaps of nanoribbons AA (HAAH) are narrower (wider) than that of two-dimensional InSe monolayer and increase (decrease) with the nanoribbon width.

Surface characteristics of bioactive Ti fabricated by chemical treatment for cartilaginous-integration.

Science.gov (United States)

Miyajima, Hiroyuki; Ozer, Fusun; Imazato, Satoshi; Mante, Francis K

2017-09-01

Artificial hip joints are generally expected to fail due to wear after approximately 15years and then have to be replaced by revision surgery. If articular cartilage can be integrated onto the articular surfaces of artificial joints in the same way as osseo-integration of titanium dental implants, the wear of joint implants may be reduced or prevented. However, very few studies have focused on the relationship between Ti surface and cartilage. To explore the possibility of cartilaginous-integration, we fabricated chemically treated Ti surfaces with H 2 O 2 /HCl, collagen type II and SBF, respectively. Then, we evaluated surface characteristics of the prepared Ti samples and assessed the cartilage formation by culturing chondrocytes on the Ti samples. When oxidized Ti was immersed in SBF for 7days, apatite was formed on the Ti surface. The surface characteristics of Ti indicated that the wettability was increased by all chemical treatments compared to untreated Ti, and that H 2 O 2 /HCl treated surface had significantly higher roughness compared to the other three groups. Chondrocytes produced significantly more cartilage matrix on all chemically treated Ti surfaces compared to untreated Ti. Thus, to realize cartilaginous-integration and to prevent wear of the implants in joints, application of bioactive Ti formed by chemical treatment would be a promising and effective strategy to improve durability of joint replacement. Copyright © 2017 Elsevier B.V. All rights reserved.

Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

Science.gov (United States)

Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

2017-07-01

During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical

Computational Nanotechnology of Molecular Materials, Electronics and Machines

Science.gov (United States)

Srivastava, D.; Biegel, Bryan A. (Technical Monitor)

2002-01-01

This viewgraph presentation covers carbon nanotubes, their characteristics, and their potential future applications. The presentation include predictions on the development of nanostructures and their applications, the thermal characteristics of carbon nanotubes, mechano-chemical effects upon carbon nanotubes, molecular electronics, and models for possible future nanostructure devices. The presentation also proposes a neural model for signal processing.

Calculation of current-voltage characteristics of electron-capture detectors

International Nuclear Information System (INIS)

Hinneburg, D.; Grosse, H.J.; Leonhardt, J.; Popp, P.

1983-01-01

Starting from the law of conservation of charge a stationary one-dimensional non-linear differential equation system is derived, which is applied to the direct-current mode of an electron-capture detector with parallel electrode plates. The theory takes into account space-charge, recombination, and inhomogeneous ionization and it deals with three kinds of charge carriers with different mobilities (positive and negative ions, electrons). Terms due to diffusion and gas-flow losses are excluded. The equations so constructed were programmed to get a means of calculating the charge and field distributions and the current-voltage characteristics as functions of various parameters of the detectors, the attaching gas and the ionization. For two cases the results are given. (author)

Electronic and chemical properties of barium and indium clusters

International Nuclear Information System (INIS)

Onwuagba, B.N.

1992-11-01

The ground state electronic and chemical properties of divalent barium and trivalent indium are investigated in a self-consistent manner using the spin-polarized local density approximation in the framework of Density Functional Theory. A jellium model is adopted in the spirit of Gunnarsson and Lundqvist exchange and correlation energies and the calculated properties primarily associated with the s-p orbitals in barium and p orbitals in indium provide deepened insight towards the understanding of the mechanisms to the magic numbers in both clusters. (author). 21 refs, 5 figs

Study and structural and chemical characterization of human dental smalt by electron microscopy; Estudio y caracterizacion estructural y quimico del esmalte dental humano por microscopia electronica

Energy Technology Data Exchange (ETDEWEB)

Belio R, I A; Reyes G, J [Instituto de Fisica, UNAM, A.P. 20-364, 01000 Mexico D.F. (Mexico)

1998-07-01

The study of human dental smalt has been subject to investigation for this methods with electron microscopy, electron diffraction, X-ray diffraction and image simulation programs have been used with the purpose to determine its chemical and structural characteristics of the organic and inorganic materials. This work has been held mainly for the characterization of hydroxyapatite (Ca){sub 10} (PO{sub 4}){sub 6} (OH{sub 4}){sub 2}, inorganic material which conforms the dental smalt in 97%, so observing its structural unity which is composed by the prisms and these by crystals and atoms. It was subsequently initiated the study of the organic material, with is precursor of itself. (Author)

Investigation of deposition characteristics and properties of high-rate deposited silicon nitride films prepared by atmospheric pressure plasma chemical vapor deposition

International Nuclear Information System (INIS)

Kakiuchi, H.; Nakahama, Y.; Ohmi, H.; Yasutake, K.; Yoshii, K.; Mori, Y.

2005-01-01

Silicon nitride (SiN x ) films have been prepared at extremely high deposition rates by the atmospheric pressure plasma chemical vapor deposition (AP-PCVD) technique on Si(001) wafers from gas mixtures containing He, H 2 , SiH 4 and N 2 or NH 3 . A 150 MHz very high frequency (VHF) power supply was used to generate high-density radicals in the atmospheric pressure plasma. Deposition rate, composition and morphology of the SiN x films prepared with various deposition parameters were studied by scanning electron microscopy and Auger electron spectroscopy. Fourier transformation infrared (FTIR) absorption spectroscopy was also used to characterize the structure and the chemical bonding configurations of the films. Furthermore, etching rate with buffered hydrofluoric acid (BHF) solution, refractive index and capacitance-voltage (C-V) characteristics were measured to evaluate the dielectric properties of the films. It was found that effective passivation of dangling bonds and elimination of excessive hydrogen atoms at the film-growing surface seemed to be the most important factor to form SiN x film with a dense Si-N network. The C-V curve of the optimized film showed good interface properties, although further improvement was necessary for use in the industrial metal-insulator-semiconductor (MIS) applications

The calculation of electron chemical potential and ion charge state and their influence on plasma conductivity in electrical explosion of metal wire

International Nuclear Information System (INIS)

Shi, Zongqian; Wang, Kun; Li, Yao; Shi, Yuanjie; Wu, Jian; Jia, Shenli

2014-01-01

The electron chemical potential and ion charge state (average ion charge and ion distribution) are important parameters in calculating plasma conductivity in electrical explosion of metal wire. In this paper, the calculating method of electron chemical potential and ion charge state is discussed at first. For the calculation of electron chemical potential, the ideal free electron gas model and Thomas-Fermi model are compared and analyzed in terms of the coupling constant of plasma. The Thomas-Fermi ionization model, which is used to calculate ion charge state, is compared with the method based on Saha equation. Furthermore, the influence of electron degenerated energy levels and ion excited states in Saha equation on the ion charge state is also analyzed. Then the influence of different calculating methods of electron chemical potential and ion charge state on plasma conductivity is discussed by applying them in the Lee-More conductivity model

HELP: a model for evaluating the feasibility of using various chemical reaction systems as electronic lasers

Energy Technology Data Exchange (ETDEWEB)

Herbelin, J M; Cohen, N

1975-09-01

An analytical model for estimating the minimum requirements of a chemically pumped electronic laser is developed. From a knowledge of the basic spectroscopic and thermodynamic properties of a particular reaction, the model can quickly classify the system in accordance with the feasibility of generating stimulated emission at different possible wavelengths. Sample calculations of the reactions of barium atoms with nitrous oxide and nitrogen dioxide indicate that the model is sufficiently sensitive to distinguish between very similar systems and, therefore, should be useful in providing classification criteria in the search for a chemically pumped electronic laser.

WEED CONTROL EFFECTS ON SOIL CHEMICAL CHARACTERISTICS

Directory of Open Access Journals (Sweden)

Paulo Sérgio Lima e Silva

2008-01-01

Full Text Available The weed control procedures are known to affect the soil physical attributes and the nutrient amount taken up by weed roots. This work hypothesis is that weed control methods might also affect soil chemical attributes. Four experiments were carried out, three with maize (E-1, E-2 and E-3 and one with cotton (E-4, in randomized complete blocks design arranged in split-plots, with five replications. In E-1 experiment, the plots consisted of two weed control treatments: no-weed control and weed shovel-digging at 20 and 40 days after sowing; and the subplots consisted of six maize cultivars. In the three other experiments, the plots consisted of plant cultivars: four maize cultivars (E-2 and E-3 and four cotton cultivars (E-4. And, the subplots consisted of three weed control treatments: (1 no-weed control; (2 weed shovel-digging at 20 and 40 days after sowing; and (3 intercropping with cowpea (E-2 or Gliricidia sepium (Jacq. Walp. (E-3 and E-4. In all experiments, after harvest, eight soil samples were collected from each subplot (0-20 cm depth and composed in one sample. Soil chemical analysis results indicated that the weed control by shovel-digging or intercropping may increase or decrease some soil element concentrations and the alterations depend on the element and experiment considered. In E-2, the weed shovel-dug plots showed intermediate soil pH, lower S (sum of bases values and higher soil P concentrations than the other plots. In E-4, soil K and Na concentrations in plots without weed control did not differ from plots with intercropping, and in both, K and Na values were higher than in weed shovel-dug plots. Maize and cotton cultivars did not affect soil chemical characteristics.

Chemical, Physicochemical, Nutritional, Microbiological, Sensory and Rehydration Characteristics of Instant Whole Beans (Phaseolus vulgaris).

Science.gov (United States)

Ulloa, José Armando; Ibarra-Zavala, Silvia Jazmin; Ramírez-Salas, Silvia Patricia; Rosas-Ulloa, Petra; Ramírez-Ramírez, José Carmen; Ulloa-Rangel, Blanca Estela

2015-03-01

Instant whole beans obtained by drying at 25 °C were evaluated for their chemical, physicochemical, nutritional, microbiological, sensory and rehydration characteristics. The proximal composition of instant whole beans was typical of this kind of food, whereas a w and L* , a* and b* values were 0.639, 98.55, -0.28 and -1.52, respectively. In instant whole beans, 75% of the essential amino acids had a value greater or equal to the reference standard for adult humans; the protein quality in terms of chemical score was 95%. Microbiological counts of aerobic mesophilic bacteria, moulds, yeasts and total coliforms of rehydrated instant whole beans were 0.99) to the experimental data for drying of cooked beans and rehydration of instant whole beans, respectively. In the light of the chemical, physicochemical, nutritional, microbiological, sensory and rehydration characteristics of instant whole beans found in this study, drying at 25 °C is recommended for the production of such food.

Chemical structures and characteristics of animal manures and composts during composting and assessment of maturity indices.

Directory of Open Access Journals (Sweden)

Jieying Huang

Full Text Available Changes in physicochemical characteristics, chemical structures and maturity of swine, cattle and chicken manures and composts during 70-day composting without addition of bulking agents were investigated. Physicochemical characteristics were measured by routine analyses and chemical structures by solid-state 13C NMR and FT-IR. Three manures were of distinct properties. Their changes in physicochemical characteristics, chemical structures, and maturity were different not only from each other but also from those with addition of bulking agents during composting. Aromaticity in chicken manure composts decreased at first, and then increased whereas that in cattle and swine manure composts increased. Enhanced ammonia volatilization occurred without addition of bulking agents. NMR structural information indicated that cattle and chicken composts were relatively stable at day 36 and 56, respectively, but swine manure composts were not mature up to day 70. Finally, the days required for three manures to reach the threshold values of different maturity indices were different.

Chemical formation of soft metal electrodes for flexible and wearable electronics.

Science.gov (United States)

Wang, Dongrui; Zhang, Yaokang; Lu, Xi; Ma, Zhijun; Xie, Chuan; Zheng, Zijian

2018-06-18

Flexible and wearable electronics is one major technology after smartphones. It shows remarkable application potential in displays and informatics, robotics, sports, energy harvesting and storage, and medicine. As an indispensable part and the cornerstone of these devices, soft metal electrodes (SMEs) are of great significance. Compared with conventional physical processes such as vacuum thermal deposition and sputtering, chemical approaches for preparing SMEs show significant advantages in terms of scalability, low-cost, and compatibility with the soft materials and substrates used for the devices. This review article provides a detailed overview on how to chemically fabricate SMEs, including the material preparation, fabrication technologies, methods to characterize their key properties, and representative studies on different wearable applications.

Chemically induced dynamic electron polarization. Pulse radiolysis of aqueous solutions of alcohols

International Nuclear Information System (INIS)

Trifunac, A.D.; Thurnauer, M.C.

1975-01-01

The radical pair model of chemically induced dynamic electron polarization (CIDEP) is experimentally verified. Aqueous solutions of alcohols were irradiated with 3 MeV electrons and observed with time resolved electron paramagnetic resonance (EPR) spectroscopy. Relative line intensities of the polarized EPR spectra of radicals from methanol and especially ethylene glycol, alone and in the presence of radicals from compounds containing halogens, illustrates the polarization dependence on the g-factor differences between the radical pair components. The observation of the relative polarization enhancement in the various lines of the multiline EPR spectra illustrates the polarization dependence on the hyperfine terms. Intrinsic enhancements are calculated and are shown to be proportional to the observed enhancement, showing that the radical pair model of CIDEP is qualitatively correct

Heteromolecular metal–organic interfaces: Electronic and structural fingerprints of chemical bonding

International Nuclear Information System (INIS)

Stadtmüller, Benjamin; Schröder, Sonja; Kumpf, Christian

2015-01-01

Highlights: • We present a study of molecular donor–acceptor blends adsorbed on Ag(1 1 1). • Geometric and electronic structure of blends and pristine phases are compared. • The surface bonding of the acceptor is strengthened, that of the donor weakened. • But counter intuitively, the acceptor (donor) bond length becomes larger (smaller). • This contradiction is resolved by a model based on charge transfer via the surface. - Abstract: Beside the fact that they attract highest interest in the field of organic electronics, heteromolecular structures adsorbed on metal surfaces, in particular donor–acceptor blends, became a popular field in fundamental science, possibly since some surprising and unexpected behaviors were found for such systems. One is the apparent breaking of a rather fundamental rule in chemistry, namely that stronger chemical bonds go along with shorter bond lengths, as it is, e.g., well-known for the sequence from single to triple bonds. In this review we summarize the results of heteromolecular monolayer structures adsorbed on Ag(1 1 1), which – regarding this rule – behave in a counterintuitive way. The charge acceptor moves away from the substrate while its electronic structure indicates a stronger chemical interaction, indicated by a shift of the formerly lowest unoccupied molecular orbital toward higher binding energies. The donor behaves in the opposite way, it gives away charge, hence, electronically the bonding to the surface becomes weaker, but at the same time it also approaches the surface. It looks as if the concordant link between electronic and geometric structure was broken. But both effects can be explained by a substrate-mediated charge transfer from the donor to the acceptor. The charge reorganization going along with this transfer is responsible for both, the lifting-up of the acceptor molecule and the filling of its LUMO, and also for the reversed effects at the donor molecules. In the end, both molecules

Theory of the chemical effects of high-energy electrons

International Nuclear Information System (INIS)

Magee, J.L.; Chatterjee, A.

1978-01-01

The general nature of radiation chemical yields arising from electron irradiations is examined. A relationship between the G value of an arbitrary radiation product and the initial electron energy (greater than 20 keV) in the form of an integro-differential equation is derived. G values for the water decomposition products in acid solution are obtained by numerical solution of the equation and the use of a model. A differential equation equivalent to the integro-differential equation for the case of Rutherford scattering is introduced and an approximate analytical solution is found (eq 10). The latter turns out to be in agreement with the numerical solution of the integro-differential equation obtained with the more accurate Moeller cross section. Experimental data for ferrous sulfate oxidation (Fricke dosimeter) are examined and found to be in agreement with the relationships obtained here. Primary yields of the water decomposition products are also given. 4 figures, 2 tables, 35 references

Chemical sensors are hybrid-input memristors

Science.gov (United States)

Sysoev, V. I.; Arkhipov, V. E.; Okotrub, A. V.; Pershin, Y. V.

2018-04-01

Memristors are two-terminal electronic devices whose resistance depends on the history of input signal (voltage or current). Here we demonstrate that the chemical gas sensors can be considered as memristors with a generalized (hybrid) input, namely, with the input consisting of the voltage, analyte concentrations and applied temperature. The concept of hybrid-input memristors is demonstrated experimentally using a single-walled carbon nanotubes chemical sensor. It is shown that with respect to the hybrid input, the sensor exhibits some features common with memristors such as the hysteretic input-output characteristics. This different perspective on chemical gas sensors may open new possibilities for smart sensor applications.

Chemical characteristics and thickness of Podocnemis expansa post-hatching eggshells (Testudines, Podocnemididae

Directory of Open Access Journals (Sweden)

Caio Henrique Ferreira

2016-10-01

Full Text Available Knowledge on chemical components of the post-hatching eggshell of reptiles may provide indicators of the quality of the diet offered to females kept in captivity. Therefore, the objective of this study was to investigate the chemical characteristics of the calcareous layer, as well as the thickness of Podocnemis expansa post-hatching eggshells. Eggshell thickness was 183±1.405 µm. This value is similar to that of the eggs of other Testudines with flexible eggshells. As for the chemical composition, the following percentages were observed: nitrogen 7.983 ± 0.054; crude protein 49.91 ± 0.324; crude fat 0.068 ± 0.002; mineral matter 20.302 ± 0.807; calcium 13.374 ± 0.647; and phosphorus 0.176 ± 0.003. Knowledge on chemical composition of the eggshell may aid the nutrition of P. expansa raised in commercial facilities, once this species is an alternative and promising source of exotic meat.

Characteristic and non-characteristic X-ray yields produced from thick Ti element by sub-relativistic electrons

International Nuclear Information System (INIS)

Yadav, Namita; Kumar, Sunil; Bhatt, Pragya; Singh, Raj; Singh, B.K.; Shanker, R.

2012-01-01

Highlights: ► The X-ray spectra of a thick Ti element by 10–25 keV electron impact are obtained. ► Measured Ti K α yields are found to be in good agreement with PWBA theory. ► Doubly differential bremsstrahlung yields agree reasonably with MC simulation. ► Average value of the ratio K α /(K α + K β ) of Ti is found to be 0.881 ± 0.003. -- Abstract: Measurements are performed to study the electron impact energy dependence of doubly differential bremsstrahlung yields (DDBY) and of characteristic Ti K α line yields produced from sub-relativistic electrons (10–25 keV) colliding with a thick Ti (Z = 22) target. The emitted radiation is detected by a Si-PIN photo-diode detector with energy resolution (FWHM) of 180 eV at 5.9 keV. The measured data of DDBY are compared with the results predicted by Monte-Carlo (MC) simulations using the general purpose PENELOPE code. A reasonable agreement is found between experimental and simulation results within the experimental uncertainty of measurements of 12%. Characteristic Ti K α yields are obtained for the considered impact energy range and they are compared with the existing theoretical results. A good agreement is found between the present measurements and the theoretical calculations. Furthermore, data are presented for impact energy dependence of the ratio K α /(K α + K β ) of a thick Ti target under impact of 10–25 keV electrons. The ratio shows a very weak dependence on impact energy in the studied range. The average value of the ratio is found to be 0.881 ± 0.003.

Machine learning of molecular electronic properties in chemical compound space

International Nuclear Information System (INIS)

Montavon, Grégoire; Müller, Klaus-Robert; Rupp, Matthias; Gobre, Vivekanand; Hansen, Katja; Tkatchenko, Alexandre; Vazquez-Mayagoitia, Alvaro; Anatole von Lilienfeld, O

2013-01-01

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure–property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost. (paper)

Machine learning of molecular electronic properties in chemical compound space

Science.gov (United States)

Montavon, Grégoire; Rupp, Matthias; Gobre, Vivekanand; Vazquez-Mayagoitia, Alvaro; Hansen, Katja; Tkatchenko, Alexandre; Müller, Klaus-Robert; Anatole von Lilienfeld, O.

2013-09-01

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel and predictive structure-property relationships. Such relationships enable high-throughput screening for relevant properties in an exponentially growing pool of virtual compounds that are synthetically accessible. Here, we present a machine learning model, trained on a database of ab initio calculation results for thousands of organic molecules, that simultaneously predicts multiple electronic ground- and excited-state properties. The properties include atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies. The machine learning model is based on a deep multi-task artificial neural network, exploiting the underlying correlations between various molecular properties. The input is identical to ab initio methods, i.e. nuclear charges and Cartesian coordinates of all atoms. For small organic molecules, the accuracy of such a ‘quantum machine’ is similar, and sometimes superior, to modern quantum-chemical methods—at negligible computational cost.

Changes in mechanical and chemical wood properties by electron beam irradiation

International Nuclear Information System (INIS)

Schnabel, Thomas; Huber, Hermann; Grünewald, Tilman A.; Petutschnigg, Alexander

2015-01-01

Highlights: • Changes in wood due to electron beam irradiations (EBI) were evaluated. • Wood components undergo different altering mechanisms due to the irradiation. • Chemical reactions in wood lead to better surface hardness of low irradiated wood. - Abstract: This study deals with the influence of various electron beam irradiation (EBI) dosages on the Brinell hardness of Norway spruce. The results of the hardness measurements and the FT-IR spectroscopic analysis show different effects of the EBI at dosages of 25, 50, 100 and 200 kGy. It was assumed that the lignin and carbohydrates undergo different altering mechanisms due to the EBI treatment. New cleavage products and condensation reactions of lignin and carbohydrates lead to better surface hardness of low irradiated wood samples. These results provide a useful basis for further investigations on the changes in wood chemistry and material properties due to electron beam irradiations

Changes in mechanical and chemical wood properties by electron beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Schnabel, Thomas, E-mail: thomas.schnabel@fh-salzburg.ac.at [Salzburg University of Applied Sciences, Department of Forest Products Technology and Wood Constructions, Marktstraße 136a, 5431 Kuchl (Austria); Huber, Hermann [Salzburg University of Applied Sciences, Department of Forest Products Technology and Wood Constructions, Marktstraße 136a, 5431 Kuchl (Austria); Grünewald, Tilman A. [BOKU University of Natural Resources and Life Sciences, Institute of Physics and Materials Science, Peter Jordan Straße 82, 1190 Vienna (Austria); Petutschnigg, Alexander [Salzburg University of Applied Sciences, Department of Forest Products Technology and Wood Constructions, Marktstraße 136a, 5431 Kuchl (Austria); BOKU University of Natural Resources and Life Sciences, Konrad Lorenzstraße 24, 3430 Tulln (Austria)

2015-03-30

Highlights: • Changes in wood due to electron beam irradiations (EBI) were evaluated. • Wood components undergo different altering mechanisms due to the irradiation. • Chemical reactions in wood lead to better surface hardness of low irradiated wood. - Abstract: This study deals with the influence of various electron beam irradiation (EBI) dosages on the Brinell hardness of Norway spruce. The results of the hardness measurements and the FT-IR spectroscopic analysis show different effects of the EBI at dosages of 25, 50, 100 and 200 kGy. It was assumed that the lignin and carbohydrates undergo different altering mechanisms due to the EBI treatment. New cleavage products and condensation reactions of lignin and carbohydrates lead to better surface hardness of low irradiated wood samples. These results provide a useful basis for further investigations on the changes in wood chemistry and material properties due to electron beam irradiations.

Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials

Science.gov (United States)

Takano, Yu; Kobayashi, Nobuhiko; Morikawa, Yoshitada

2018-06-01

Through computer simulations using atomistic models, it is becoming possible to calculate the atomic structures of localized defects or dopants in semiconductors, chemically active sites in heterogeneous catalysts, nanoscale structures, and active sites in biological systems precisely. Furthermore, it is also possible to clarify physical and chemical properties possessed by these nanoscale structures such as electronic states, electronic and atomic transport properties, optical properties, and chemical reactivity. It is sometimes quite difficult to clarify these nanoscale structure-function relations experimentally and, therefore, accurate computational studies are indispensable in materials science. In this paper, we review recent studies on the relation between local structures and functions for inorganic, organic, and biological systems by using atomistic computer simulations.

Field electron emission from branched nanotubes film

International Nuclear Information System (INIS)

Zeng Baoqing; Tian Shikai; Yang Zhonghai

2005-01-01

We describe the preparation and analyses of films composed of branched carbon nanotubes (CNTs). The CNTs were grown on a Ni catalyst film using chemical vapor deposition from a gas containing acetylene. From scanning electron microscope (SEM) and transmission electron microscope (TEM) analyses, the branched structure of the CNTs was determined; the field emission characteristics in a vacuum chamber indicated a lower turn on field for branched CNTs than normal CNTs

Repeatability, correlation and path analysis of physical and chemical characteristics of peach fruits

Directory of Open Access Journals (Sweden)

Rosana Gonçalves Pires Matias

2014-12-01

Full Text Available This study aimed to determine the number of measurements necessary to evaluate physical and chemical characteristics of peach fruits, study the relationships between them and their direct and indirect effects on the content of ascorbic acid and total carotenoids. The characteristics skin and pulp color, fruit weight, suture, equatorial and polar diameters, firmness, soluble solids (SS, titratable acidity (TA, SS/TA ratio, ascorbic acid and total carotenoids were evaluated in 39 cultivars of peach and 3 cultivars of nectarine from the orchard of the Universidade Federal de Viçosa. The repeatability coefficient was estimated by ANOVA and CPCOR. Phenotypic correlation coefficients (rf were estimated and, after the multicollinearity diagnostics, they were unfolded to direct and indirect effects of the explanatory variables on the response variable using path analysis. There was agreement on the magnitude of repeatability coefficients obtained by the two methods; however, they varied among the 14 characteristics. The highest correlations were found between FW, SD, ED and PD. Seven fruits are sufficient to evaluate the physical and chemical characteristics of peach with a correlation coefficient of 90%. The characteristics considered in the path diagrams (b* skin, hº skin, b* pulp, hº pulp, ED, PD, FIR, SS, SS/AT and TC are not the main determinants of the ascorbic acid. The yellow hue of the pulp (hº pulp has the potential to be used in indirect selection for total carotenoids.

Study of sorption and desorption characteristics of natural and chemically modified ionexes

International Nuclear Information System (INIS)

Foeldesova, M.; Dillinger, P.; Lukac, P.

2004-01-01

The aim of this paper was give information for scientific community about not-traditionally, simply, high precise and effective radio-indicator method and possibilities its use for determination of sorption characteristics of naturals and chemically adjusted ionexes. These materials are suitable as barrier materials for water, soil and air cleaning

The morphological and chemical characteristics of striatal neurons immunoreactive for the alpha1-subunit of the GABA(A) receptor in the rat.

Science.gov (United States)

Waldvogel, H J; Kubota, Y; Trevallyan, S C; Kawaguchi, Y; Fritschy, J M; Mohler, H; Faull, R L

1997-10-01

The distribution, morphology and chemical characteristics of neurons immunoreactive for the alpha1-subunit of the GABA(A) receptor in the striatum of the basal ganglia in the rat brain were investigated at the light, confocal and electron microscope levels using single, double and triple immunohistochemical labelling techniques. The results showed that alpha1-subunit immunoreactive neurons were sparsely distributed throughout the rat striatum. Double and triple labelling results showed that all the alpha1-subunit-immunoreactive neurons were positive for glutamate decarboxylase and immunoreactive for the beta2,3 and gamma2 subunits of the GABA(A) receptor. Three types of alpha1-subunit-immunoreactive neurons were identified in the striatum on the basis of cellular morphology and chemical characteristics. The most numerous alpha1-subunit-immunoreactive neurons were medium-sized, aspiny neurons with a widely branching dendritic tree. They were parvalbumin-negative and were located mainly in the dorsolateral regions of the striatum. Electron microscopy showed that these neurons had an indented nuclear membrane, typical of striatal interneurons, and were surrounded by small numbers of axon terminals which established alpha1-subunit-immunoreactive synaptic contacts with the soma and dendrites. These cells were classified as type 1 alpha1-subunit-immunoreactive neurons and comprised 75% of the total population of alpha1-subunit-immunoreactive neurons in the striatum. The remaining alpha1-subunit-immunoreactive neurons comprised of a heterogeneous population of large-sized neurons localized in the ventral and medial regions of the striatum. The most numerous large-sized cells were parvalbumin-negative, had two to three relatively short branching dendrites and were designated type 2 alpha1-subunit-immunoreactive neurons. Electron microscopy showed that the type 2 neurons were characterized by a highly convoluted nuclear membrane and were sparsely covered with small axon

Dose characteristics of total-skin electron-beam irradiation with six-dual electron fields

International Nuclear Information System (INIS)

Choi, Tae Jin; Kim, Jin Hee; Kim, Ok Bae

1998-01-01

To obtain the uniform dose at limited depth to entire surface of the body, the dose characteristics of degraded electron beam of the large target-skin distance and the dose distribution of the six-dual electron fields were investigated. The experimental dose distributions included the depth dose curve, spatial dose and attenuated electron beam were determined with 300 cm of Target-Skin Distance (TSD) and full collimator size (35x35 cm 2 on TSD 100 cm) in 4 MeV electron beam energy. Actual collimated field size of 105 cmx105 cm at the distance of 300 cm could include entire hemibody. A patient was standing on step board with hands up and holding the pole to stabilize his/her positions for the six-dual fields technique. As a scatter-degrader, 0.5 cm of acrylic plate was inserted at 20 cm from the body surface on the electron beam path to induce ray scattering and to increase the skin dose. The Full Width at Half Maximum(FWHM) of dose profile was 130 cm in large field of 105x105 cm 2 . The width of 100±10% of the resultant dose from two adjacent fields which were separated at 25 cm from field edge for obtaining the dose uniformity was extended to 186 cm. The depth of maximum dose lies at 5 mm and the 80% depth dose lies between 7 and 8 mm for the degraded electron beam by using the 0.5 cm thickness of acrylic absorber. Total skin electron beam irradiation (TSEBI) was carried out using the six dual fields has been developed at Stanford University. The dose distribution in TSEBI showed relatively uniform around the flat region of skin except the protruding and deeply curvatured portion of the body, which showed excess of dose at the former and less dose at the latter. The percent depth dose, profile curves and superimposed dose distribution were investigated using the degraded using the degraded electron beam through the beam absorber. The dose distribution obtained by experiments of TSEBI showed within±10% difference excepts the protruding area of skin which needs a

Surface chemical reactions during electron beam irradiation of nanocrystalline CaS:Ce3+ phosphor

International Nuclear Information System (INIS)

Kumar, Vinay; Pitale, Shreyas S.; Nagpure, I. M.; Coetsee, E.; Ntwaeaborwa, O. M.; Terblans, J. J.; Swart, H. C.; Mishra, Varun

2010-01-01

The effects of accelerating voltage (0.5-5 keV) on the green cathodoluminescence (CL) of CaS:Ce 3+ nanocrystalline powder phosphors is reported. An increase in the CL intensity was observed from the powders when the accelerating voltage was varied from 0.5 to 5 keV, which is a relevant property for a phosphor to be used in field emission displays (FEDs). The CL degradation induced by prolonged electron beam irradiation was analyzed using CL spectroscopy, x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The AES data showed the decrease in the S peak intensity and an increase in the O peak intensity during electron bombardment. The CL intensity was found to decrease to 30% of its original intensity after about 50 C/cm 2 . XPS was used to study the chemical composition of the CaS:Ce 3+ nanophosphor before and after degradation. The XPS data confirms that a nonluminescent CaSO 4 layer has formed on the surface during the degradation process, which may partially be responsible for the CL degradation. The electron stimulated surface chemical reaction mechanism was used to explain the effects of S desorption and the formation of the nonluminescent CaSO 4 layer on the surface.

Monitoring system of energy characteristics of electron beam during shaping process of power bremsstrahlung pulses

International Nuclear Information System (INIS)

Mordasov, N.G.; Ulimov, V.N.; Bryksin, V.A.; Shiyan, V.D.

2005-01-01

One proposes a procedure and a device to monitor dynamic and integral characteristics of electron power beams of high-current pulsed accelerators (HCPA) operating under Bremsstrahlung radiation mode. One obtained static and dynamic transfer characteristics for various types of heterogenous targets-converters under operation of UIN-10 HCPA with up to 4 MeV energy electrons, up to 60 kA current and 6 x 10 -8 -2 x 10 -6 s pulse efficient duration. One demonstrated the capabilities of the complex diagnostics of acceleration of electron beams by HCPA with simultaneous determination of parameters of the Bremsstrahlung radiation at the local point of the field behind the target-converter [ru

Chemical potential pinning due to equilibrium electron transfer at metal/C60-doped polymer interfaces

Science.gov (United States)

Heller, C. M.; Campbell, I. H.; Smith, D. L.; Barashkov, N. N.; Ferraris, J. P.

1997-04-01

We report electroabsorption measurements of the built-in electrostatic potential in metal/C60-doped polymer/metal structures to investigate chemical potential pinning due to equilibrium electron transfer from a metal contact to the electron acceptor energy level of C60 molecules in the polymer film. The built-in potentials of a series of structures employing thin films of both undoped and C60-doped poly[2-methoxy, 5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were measured. For undoped MEH-PPV, which has an energy gap of about 2.4 eV, the maximum built-in potential is about 2.1 eV, whereas for C60-doped MEH-PPV the maximum built-in potential decreases to 1.5 eV. Electron transfer to the C60 molecules close to the metal interface pins the chemical potential of the metal contact near the electron acceptor energy level of C60 and decreases the built-in potential of the structure. From the systematic dependence of the built-in potential on the metal work function we find that the electron acceptor energy level of C60 in MEH-PPV is about 1.7 eV above the hole polaron energy level of MEH-PPV.

Microelectrode voltammetry of multi-electron transfers complicated by coupled chemical equilibria: a general theory for the extended square scheme.

Science.gov (United States)

Laborda, Eduardo; Gómez-Gil, José María; Molina, Angela

2017-06-28

A very general and simple theoretical solution is presented for the current-potential-time response of reversible multi-electron transfer processes complicated by homogeneous chemical equilibria (the so-called extended square scheme). The expressions presented here are applicable regardless of the number of electrons transferred and coupled chemical processes, and they are particularized for a wide variety of microelectrode geometries. The voltammetric response of very different systems presenting multi-electron transfers is considered for the most widely-used techniques (namely, cyclic voltammetry, square wave voltammetry, differential pulse voltammetry and steady state voltammetry), studying the influence of the microelectrode geometry and the number and thermodynamics of the (electro)chemical steps. Most appropriate techniques and procedures for the determination of the 'interaction' between successive transfers are discussed. Special attention is paid to those situations where homogeneous chemical processes, such as protonation, complexation or ion association, affect the electrochemical behaviour of the system by different stabilization of the oxidation states.

Physical and Chemical Changes of Polystyrene Nanospheres Irradiated with Laser

International Nuclear Information System (INIS)

Mustafa, Mohd Ubaidillah; Juremi, Nor Rashidah Md.; Mohamad, Farizan; Wibawa, Pratama Jujur; Agam, Mohd Arif; Ali, Ahmad Hadi

2011-01-01

It has been reported that polymer resist such as PMMA (Poly(methyl methacrylate) which is a well known and commonly used polymer resist for fabrication of electronic devices can show zwitter characteristic due to over exposure to electron beam radiation. Overexposed PMMA tend to changes their molecular structure to either become negative or positive resist corresponded to electron beam irradiation doses. These characteristic was due to crosslinking and scissors of the PMMA molecular structures, but till now the understanding of crosslinking and scissors of the polymer resist molecular structure due to electron beam exposure were still unknown to researchers. Previously we have over exposed polystyrene nanospheres to various radiation sources, such as electron beam, solar radiation and laser, which is another compound that can act as polymer resist. We investigated the physical and chemical structures of the irradiated polystyrene nanospheres with FTIR analysis. It is found that the physical and chemical changes of the irradiated polystyrene were found to be corresponded with the radiation dosages. Later, combining Laser irradiation and Reactive Ion Etching manipulation, created a facile technique that we called as LARIEA NSL (Laser and Reactive Ion Etching Assisted Nanosphere Lithography) which can be a facile technique to fabricate controllable carbonaceous nanoparticles for applications such as lithographic mask, catalysts and heavy metal absorbers.

Experimental investigation on the development characteristics of initial electrons in a gas pressurized closing switch under DC voltage

Science.gov (United States)

Rongxiao, ZHAI; Mengtong, QIU; Weixi, LUO; Peitian, CONG; Tao, HUANG; Jiahui, YIN; Tianyang, ZHANG

2018-04-01

As one of the most important elements in linear transformer driver (LTD) based systems, the gas pressurized closing switches are required to operate with a very low prefire probability during the DC-charging process to ensure reliable operation and stable output of the whole pulsed power system. The most direct and effective way to control the prefire probability is to select a suitable working coefficient. The study of the development characteristics of the initially generated electrons is useful for optimizing the working coefficient and improving the prefire characteristic of the switches. In this paper an ultraviolet pulsed laser is used to generate initial electrons inside the gap volume. A current measuring system is used to measure the time-dependent current generated by the growth of the initial electrons so as to study the development characteristics of the electrons under different working coefficients. Experimental results show that the development characteristics of the initial electrons are influenced obviously by the working coefficient. With the increase of the working coefficient, the development degree of the electrons increases consequently. At the same times, there is a threshold of working coefficient which produces the effect of ionization on electrons. The range of the threshold has a slow growth but remains close to 65% with the gas pressure increase. When the working coefficient increases further, γ processes are starting to be generated inside the gap volume. In addition, an optimal working coefficient beneficial for improving the prefire characteristic is indicated and further tested.

Chemical dosimetry of linac electron pulse with nitrous oxide

International Nuclear Information System (INIS)

Nanba, Hideki; Shinsaka, Kyoji; Hatano, Yoshihiko; Yagi, Masuo; Shiokawa, Takanobu.

1975-01-01

Absorption dose, dose rate and the reproducibility of intensity in each pulse of the electron beam pulses from a Linac (42 MeV, 3μsec) have been determined by applying nitrous oxide chemical dosimetry, in order to obtain the fundamental data required for radiation chemistry researches with the Linac. Nitrous oxide is used as a chemical dosimeter because it is known that it decomposed through radiation ensures easy detection and the determination of quantity of the decomposed product, nitrogen, which is stable, and presents linear relationship between absorption dose and produced quantity over the wide dose-rate range. Irradiation cells used for the experiment were cylindrical ones made of hard molybdenum glass. Irradiated samples were fractionated with liquid nitrogen, and separated and determined with a gas chromatograph. Details on the experimental results and their examination are described at the end. They include absorption dose of 1x10 16 eV/g per pulse, dose rate of 3x10 21 eV/g, sec and intensity reproducibility of +- 20%. (Wakatsuki, Y.)

Charged particle emission effects on the characteristics of glow discharges with oscillating electrons

CERN Document Server

Nikulin, S P

2001-01-01

One discusses the effect of selection of charged particles on conditions to maintain and the characteristics of a glow discharge with oscillating electrons. It is shown that there is a pressure dependent optimal level of ion selection when the energy efficiency of ion source reaches its maximum value. It is determined that departure of fast ionizing electrons affects negatively the discharge maintenance wile emission of slow plasma electrons may promote maintenance of a discharge high current shape. It is shown that high efficient electron emission without violation of a discharge stability may take place in a magnetic field due to different nature of spatial distributions of fast and slow particles in discharges with electron oscillation

Use and Characteristics of Electronic Health Record Systems among Office-Based Physician Practices: United States, ...

Science.gov (United States)

... the National Technical Information Service NCHS Use and Characteristics of Electronic Health Record Systems Among Office-based ... physicians that collects information on physician and practice characteristics, including the adoption and use of EHR systems. ...

Three-dimensionality of space in the structure of the periodic table of chemical elements

International Nuclear Information System (INIS)

Veremeichik, T. F.

2006-01-01

The effect of the dimension of the 3D homogeneous and isotropic Euclidean space, and the electron spin on the self-organization of the electron systems of atoms of chemical elements is considered. It is shown that the finite dimension of space creates the possibility of periodicity in the structure of an electron cloud, while the value of the dimension determines the number of stable systems of electrons at different levels of the periodic table of chemical elements and some characteristics of the systems. The conditions for the stability of systems of electrons and the electron system of an atom as a whole are considered. On the basis of the results obtained, comparison with other hierarchical systems (nanostructures and biological structures) is performed

Yellow passion fruit seed oil (Passiflora edulis f. flavicarpa: physical and chemical characteristics

Directory of Open Access Journals (Sweden)

Cassia Roberta Malacrida

2012-02-01

Full Text Available The aim of this study was to determine the chemical composition -physico-chemical properties, fatty acid and tocopherol compositions and total phenolic compounds -and evaluate the radical-scavenging activity of crude oil extracted from passion fruit (Passiflora edulis f. flavicarpa seeds, aiming to use the agro-industrial by-products. The oil seed extraction was performed by Soxhlet method and the oil yield from the seeds was 30.39%. The oil showed high levels of unsaturated fatty acids (87.59%, including mainly linoleic (73.14% and oleic (13.83% acids, tocopherol (499.30 mg/kg and phenolic compounds (1,314.13 mg GAE/kg. The physico-chemical characteristics were similar to those of other edible oils and the oil showed significant antioxidant activity. Therefore, the potential utilization of the passion fruit seed oil as a raw material for food, chemical and pharmaceutical industries could be favorable.

Electronic structure imperfections and chemical bonding at graphene interfaces

Science.gov (United States)

Schultz, Brian Joseph

The manifestation of novel phenomena upon scaling to finite size has inspired a paradigm shift in materials science that takes advantage of the distinctive electrical and physical properties of nanomaterials. Remarkably, the simple honeycomb arrangement of carbon atoms in a single atomic layer has become renowned for exhibiting never-before-seen electronic and physical phenomena. This archetypal 2-dimensional nanomaterial is known as graphene, a single layer of graphite. Early reports in the 1950's eluded to graphene-like nanostructures that were evidenced from exfoliation of oxidized graphite followed by chemical reduction, absorbed carbon on transition metals, and thermal decomposition of SiC. Furthermore, the earliest tight binding approximation calculations in the 1950's held clues that a single-layer of graphite would behave drastically different than bulk graphite. Not until 2004, when Giem and Novoselov first synthesized graphene by mechanical exfoliation from highly-oriented pyrolytic graphite did the field of graphene-based research bloom within the scientific community. Since 2004, the availability and relatively straight forward synthesis of single-layer graphene (SLG) enabled the observation of remarkable phenomena including: massless Dirac fermions, extremely high mobilities of its charge carriers, room temperature half-integer quantum Hall effect, the Rashba effect, and the potential for ballistic conduction over macroscopic distances. These enticing electronic properties produce the drive to study graphene for use in truly nanoscale electrical interconnects, integrated circuits, transparent conducting electrodes, ultra-high frequency transistors, and spintronic devices, just to name a few. Yet, for almost all real world applications graphene will need to be interfaced with other materials, metals, dielectrics, organics, or any combination thereof that in turn are constituted from various inorganic and organic components. Interfacing graphene, a

Manufacture of electron beam irradiation vessel and its characteristics

International Nuclear Information System (INIS)

Kanazawa, Takao; Haruyama, Yasuyuki; Yotsumoto, Keiichi

1992-05-01

Electron beam irradiation vessel, which is used for the irradiation of samples under an inert or a vacuum atmosphere, is made by considering the temperature control during or after irradiation. The vessel was composed of the temperature controlable samples supporting plate, beam slit with water cooling plate and the insert of thermosensor. The four samples supporting plate was produced with the materials made up of aluminium, stainless steel (SUS304), and copper. The stainless steel supporting plate has a heater inside the cooling pipes for the high temperature treatment of samples without exposure to atmosphere after the irradiation. In this report, the temperature distribution and dose characteristics such as dose distribution and effects of backscattered electron were studied by using several supporting plate and the comparison of the experimental results with the simulated results was also carried out. (author)

Chemical characteristics of fine particles emitted from different gas cooking methods

Science.gov (United States)

See, Siao Wei; Balasubramanian, Rajasekhar

Gas cooking is an important indoor source of fine particles (PM 2.5). The chemical characteristics of PM 2.5 emitted from different cooking methods, namely, steaming, boiling, stir-frying, pan-frying and deep-frying were investigated in a domestic kitchen. Controlled experiments were conducted to measure the mass concentration of PM 2.5 and its chemical constituents (elemental carbon (EC), organic carbon (OC), polycyclic aromatic hydrocarbons (PAHs), metals and ions) arising from these five cooking methods. To investigate the difference in particle properties of different cooking emissions, the amount and type of food, and the heat setting on the gas stove were kept constant during the entire course of the experiments. Results showed that deep-frying gave rise to the largest amount of PM 2.5 and most chemical components, followed by pan-frying, stir-frying, boiling, and steaming. Oil-based cooking methods released more organic pollutants (OC, PAHs, and organic ions) and metals, while water-based cooking methods accounted for more water-soluble (WS) ions. Their source profiles are also presented and discussed.

Power-electronic asset characteristics for HVDC-connected offshore grids

Energy Technology Data Exchange (ETDEWEB)

Heising, C.; Meyer, D.; Bartelt, R. [Avasition GmbH, Dortmund (Germany); Koochack Zadeh, M.; Lebioda, T.J.; Jung, J. [TenneT Offshore GmbH, Bayreuth (Germany)

2012-07-01

Analysing offshore wind-farm applications as well as other converter-dominated grids, two key differences can be identified compared to conventional configurations: No relevant short-circuit power is available and no inertia is directly coupled to the AC grid. Within this paper, power-electronic asset characteristics for HVDC-connected offshore grids are presented which apply new principles allowing for better dynamic operation in the weak grids introduced. The capability is demonstrated using simulation results of an AC-multi-terminal system. (orig.)

Chemical Selectivity and Sensitivity of a 16-Channel Electronic Nose for Trace Vapour Detection

Directory of Open Access Journals (Sweden)

Drago Strle

2017-12-01

Full Text Available Good chemical selectivity of sensors for detecting vapour traces of targeted molecules is vital to reliable detection systems for explosives and other harmful materials. We present the design, construction and measurements of the electronic response of a 16 channel electronic nose based on 16 differential microcapacitors, which were surface-functionalized by different silanes. The e-nose detects less than 1 molecule of TNT out of 10+12 N2 molecules in a carrier gas in 1 s. Differently silanized sensors give different responses to different molecules. Electronic responses are presented for TNT, RDX, DNT, H2S, HCN, FeS, NH3, propane, methanol, acetone, ethanol, methane, toluene and water. We consider the number density of these molecules and find that silane surfaces show extreme affinity for attracting molecules of TNT, DNT and RDX. The probability to bind these molecules and form a surface-adsorbate is typically 10+7 times larger than the probability to bind water molecules, for example. We present a matrix of responses of differently functionalized microcapacitors and we propose that chemical selectivity of multichannel e-nose could be enhanced by using artificial intelligence deep learning methods.

Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

Science.gov (United States)

Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

2011-11-01

In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

Chemical and spectroscopic characteristics of potassium white micas related to polystage evolution of the Central Western Carpathians orogenic wedge

Science.gov (United States)

Sulák, Marián; Kaindl, Reinhard; Putiš, Marián; Sitek, Jozef; Krenn, Kurt; Tóth, Ignác

2009-12-01

Potassium white micas in sheared basement and cover rocks from the Central Western Carpathians (CWC) were investigated by PL microscopy, electron microprobe (EMP) analysis, Mössbauer and micro-Raman spectroscopy. We specified chemical and spectroscopic characteristics, which allow distinction between celadonite-poor (muscovitic) and celadonite-rich (phengitic) white mica (Wmca). Wmca generations formed during a polystage evolution in changing P- T conditions ranging from the very low to medium temperatures at medium pressure within the Alpidic CWC orogenic wedge. BSE imaging, EMP analyses and X-ray element maps indicate chemical differences between muscovite and phengite, mainly in Al, Fe and Si contents. Mössbauer spectroscopy revealed their contrasting spectra, related to different hyperfine parameters, mainly of quadrupole splitting (QS of Ms: 2.6-2.7 mm/s, or 2.9-3.0 mm/s for Phg), corresponding to Fe 2+ and Fe 3+ contents. Blastomylonitic samples with a single dominating Wmca generation and finite-strain XZ sections were suitable for micro-Raman study. These data corroborate correlation between the frequencies of two vibrational modes of Wmca and Si content. The investigated Wmca generations indicate an enhanced transformation between Wmca phases in shear zones.

Fine chemicals for the electronics industry: the proceedings of a symposium organised by the Fine Chemicals and Medicinals Group of the Industrial Division of the Royal Society of Chemistry, Bath, UK, 2-4 April 1986

International Nuclear Information System (INIS)

Bamfield, P.

1986-01-01

Most business surveys on electronic chemicals emphasise the importance of semi-conductor materials, printed circuit board chemicals, hybrid circuit materials and others, e.g. liquid crystal materials. This was expanded in this symposium to include chemicals consumed by the telecommunications, optoelectronics, reprographics, displays, and energy conversion sectors. The burgeoning area of molecular electronics was also considered to be important. (author)

Electronic manual of the nuclear characteristics analysis code-set for FBR

International Nuclear Information System (INIS)

Makino, Tohru

2001-03-01

Reactor Physics Gr., System Engineering Technology Division, O-arai Engineering Center has consolidated the nuclear design database to improve analytical methods and prediction accuracy for large fast breeder cores such as demonstration or commercial FBRs from the previous research. The up-to-date information about usage of the nuclear characteristics analysis code-set was compiled as a part of the improvement of basic design data base for FBR core. The outlines of the electronic manual are as follows; (1) The electronic manual includes explanations of following codes: JOINT : Code Interface Program. SLAROM, CASUP : Effective Cross Section Calculation Code. CITATION-FBR : Diffusion Analysis Code. PERKY : Perturbative Diffusion Analysis Code. SNPERT, SNPERT-3D : Perturbative Transport Analysis Code. SAGEP, SAGEP-3D : Sensitivity Coefficient Calculation Code. NSHEX : Transport Analysis Code using Nodal Method. ABLE : Cross Section Adjustment Calculation Code. ACCEPT : Predicting Accuracy Evaluation Code. (2) The electronic manual is described using HTML file format and PDF file for easy maintenance, updating and for easy referring through JNC Intranet. User can refer manual pages by usual Web browser software without any special setup. (3) Many of manual pages include link-tags to jump to related pages. String search is available in both HTML and PDF documents. (4) User can download source code, sample input data and shell script files to carry out each analysis from download page of each code (JNC inside only). (5) Usage of the electronic manual and maintenance/updating process are described in this report and it makes possible to enroll new code or new information in the electronic manual. Since the information has been taken into account about modifications and error fixings, added to each code after the last consolidation in 1994, the electronic manual would cover most recent status of the nuclear characteristics analysis code-set. One of other advantages of use

Engineering Characteristics of Chemically Treated Water-Repellent Kaolin

Directory of Open Access Journals (Sweden)

Youngmin Choi

2016-12-01

Full Text Available Water-repellent soils have a potential as alternative construction materials that will improve conventional geotechnical structures. In this study, the potential of chemically treated water-repellent kaolin clay as a landfill cover material is explored by examining its characteristics including hydraulic and mechanical properties. In order to provide water repellency to the kaolin clay, the surface of clay particle is modified with organosilanes in concentrations (CO ranging from 0.5% to 10% by weight. As the CO increases, the specific gravity of treated clay tends to decrease, whereas the total organic carbon content of the treated clay tends to increase. The soil-water contact angle increases with an increase in CO until CO = 2.5%, and then maintains an almost constant value (≈134.0°. Resistance to water infiltration is improved by organosilane treatment under low hydrostatic pressure. However, water infiltration resistance under high hydrostatic pressure is reduced or exacerbated to the level of untreated clay. The maximum compacted dry weight density decreases with increasing CO. As the CO increases, the small strain shear modulus increases, whereas the effect of organosilane treatment on the constrained modulus is minimal. The results indicate that water-repellent kaolin clay possesses excellent engineering characteristics for a landfill cover material.

Engineering Characteristics of Chemically Treated Water-Repellent Kaolin

Science.gov (United States)

Choi, Youngmin; Choo, Hyunwook; Yun, Tae Sup; Lee, Changho; Lee, Woojin

2016-01-01

Water-repellent soils have a potential as alternative construction materials that will improve conventional geotechnical structures. In this study, the potential of chemically treated water-repellent kaolin clay as a landfill cover material is explored by examining its characteristics including hydraulic and mechanical properties. In order to provide water repellency to the kaolin clay, the surface of clay particle is modified with organosilanes in concentrations (CO) ranging from 0.5% to 10% by weight. As the CO increases, the specific gravity of treated clay tends to decrease, whereas the total organic carbon content of the treated clay tends to increase. The soil-water contact angle increases with an increase in CO until CO = 2.5%, and then maintains an almost constant value (≈134.0°). Resistance to water infiltration is improved by organosilane treatment under low hydrostatic pressure. However, water infiltration resistance under high hydrostatic pressure is reduced or exacerbated to the level of untreated clay. The maximum compacted dry weight density decreases with increasing CO. As the CO increases, the small strain shear modulus increases, whereas the effect of organosilane treatment on the constrained modulus is minimal. The results indicate that water-repellent kaolin clay possesses excellent engineering characteristics for a landfill cover material. PMID:28774098

Influence of olive ripening degree and crusher typology on chemical and sensory characteristics of Correggiolo virgin olive oil.

Science.gov (United States)

Morrone, Lucia; Pupillo, Sabrina; Neri, Luisa; Bertazza, Giampaolo; Magli, Massimiliano; Rotondi, Annalisa

2017-03-01

In this study, two types of crusher, hammer and blade, were used to produce olive oils from cv. Correggiolo olives at four stages of ripeness, to analyse the effect of these two factors on oil quality indices (free acidity, peroxide value, UV absorption), on phenolic compounds content and sensory profiles. Differences in chemical and sensory data were analysed by two-way ANOVA. Ripeness exerted a stronger influence than the crushing equipment on quality indices, phenolic content and sensory evaluation; moreover the statistical significance of interaction between the factors considered suggests that they are intertwined. Differences in the texture of olive pastes obtained by squashing and crushing were clearly evident at the first stage of ripeness via observation with a scanning electron microscope. The stronger mechanical action of the hammer crusher also produced smaller pit fragments compared to the blade crusher, as shown by particle size analysis of the kernels fragments. Knowledge about the interaction between ripening and crushing will allow olive oil producers to pursue a product of the quality most suitable for a particular type of consumer. For example, bitterness and pungency, characters recently connected with health effects because sensory markers of extra virgin olive oil (EVOO) polyphenols, do not have a great sensory appeal for most consumers; however, there is a niche of gourmet estimators interested in these peculiar flavours and ready to pay a premium price for them. The producer will be able to customise the EVOO by modulating its chemical and sensory characteristics, especially the phenolic fraction, thus addressing the needs of consumers with different tastes. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Electronic parameters of Sr2Nb2O7 and chemical bonding

DEFF Research Database (Denmark)

Atuchin, V.V.; Grivel, Jean-Claude; Korotkov, A.S.

2008-01-01

/2)) and Delta(O-Sr) = BE(O 1s)-BE(Sr 3d(5/2)), were used to characterize the valence electron transfer on the formation of the Nb-O and Sr-O bonds. The chemical bonding effects were considered on the basis of our XPS results for Sr2Nb2O7 and earlier published structural and XPS data for other Sr- or Nb...

Dosimetry for electron beam from Microtron accelerator using chemical dosimeters

International Nuclear Information System (INIS)

Joseph, Praveen; Nairy, Rajesha; Sanjeev, Ganesh; Narayana, Y.

2014-01-01

The Microtron is a simple, compact, low cost electron accelerator with excellent beam quality and it can accelerate electrons to relativistic energies. The variable energy Microtron at Mangalore University is used for R and D programmes in basic and applied areas of physics, chemistry, materials science, biological sciences, medical science and industry. While studying the effects of radiation, it is essential to have complete knowledge of absorbed dose. In the present study the absorbed dose and the uniformity of dose distribution at various points due to 8 MeV electron beam from Microtron accelerator has been calculated using different chemical dosimeters. From the dosimetry studies for Microtron accelerator, it is observed that the absorbed doses measured at various dose ranges from 2 Gy to 25 kGy using FBX dosimeters at very low doses, Fricke at intermediate doses and alanine and glutamine at higher doses, varied linearly with increasing electron counts. From the dosimetry studies it is observed that there is a linear relation between dose and electron numbers over a wide range of absorbed doses. It is evaluated that the electron counts of about 1.15 x 10 14 corresponds to an absorbed dose of 100 Gy. Fricke dosimetry was carried out to measure the uniformity in dose distribution at a distance of 30 cm from the beam exit window of the accelerator to ensure the availability of uniform irradiation field size. It is observed that a field size of about 4 x 4 cm is available at 30 cm distance from the beam exit window over which the dose distribution is uniform. The sample size during radiological studies using Microtron was restricted to less than 4 x 4 cm dimension at 30 cm distance from the beam exit window to ensure uniform dose distribution to the sample

Effect of chemical treatment on surface characteristics of sputter deposited Ti-rich NiTi shape memory alloy thin-films

International Nuclear Information System (INIS)

Sharma, S.K.; Mohan, S.

2014-01-01

Graphical abstract: FTIR spectra recorded for sputter deposited (a) untreated and (b) chemically treated NiTi SMA thin-films. - Highlights: • The effect of chemical treatment on surface properties of NiTi films demonstrated. • Chemically treated films offer strong ability to form protective TiO 2 layer. • TiO 2 layer formation offer great application prospects in biomedical fields. - Abstract: NiTi thin-films were deposited by DC magnetron sputtering from single alloy target (Ni/Ti:45/55 at.%). The rate of deposition and thickness of sputter deposited films were maintained to ∼35 nm min −1 and 4 μm respectively. A set of sputter deposited NiTi films were selected for specific chemical treatment with the solution comprising of de-ionized water, HF and HNO 3 respectively. The influence of chemical treatment on surface characteristics of NiTi films before and after chemical treatment was investigated for their structure, micro-structure and composition using different analytical techniques. Prior to chemical treatment, the composition of NiTi films using energy dispersive X-ray dispersive spectroscopy (EDS), were found to be 51.8 atomic percent of Ti and 48.2 atomic percent of Ni. The structure and morphology of these films were investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD investigations, demonstrated the presence of dominant Austenite (1 1 0) phase along with Martensite phase, for untreated NiTi films whereas some additional diffraction peaks viz. (1 0 0), (1 0 1), and (2 0 0) corresponding to Rutile and Anatase phase of Titanium dioxide (TiO 2 ) along with parent Austenite (1 1 0) phase were observed for chemically treated NiTi films. FTIR studies, it can be concluded that chemically treated films have higher tendency to form metal oxide/hydroxide than the untreated NiTi films. XPS investigations, demonstrated the presence of Ni-free surface and formation of a protective metal oxide (TiO 2 ) layer on the surface of

The impact of chemical structure and molecular packing on the electronic polarisation of fullerene arrays.

Science.gov (United States)

Few, Sheridan; Chia, Cleaven; Teo, Daniel; Kirkpatrick, James; Nelson, Jenny

2017-07-19

Electronic polarisation contributes to the electronic landscape as seen by separating charges in organic materials. The nature of electronic polarisation depends on the polarisability, density, and arrangement of polarisable molecules. In this paper, we introduce a microscopic, coarse-grained model in which we treat each molecule as a polarisable site, and use an array of such polarisable dipoles to calculate the electric field and associated energy of any arrangement of charges in the medium. The model incorporates chemical structure via the molecular polarisability and molecular packing patterns via the structure of the array. We use this model to calculate energies of charge pairs undergoing separation in finite fullerene lattices of different chemical and crystal structures. The effective dielectric constants that we estimate from this approach are in good quantitative agreement with those measured experimentally in C 60 and phenyl-C 61 -butyric acid methyl ester (PCBM) films, but we find significant differences in dielectric constant depending on packing and on direction of separation, which we rationalise in terms of density of polarisable fullerene cages in regions of high field. In general, we find lattices containing molecules of more isotropic polarisability tensors exhibit higher dielectric constants. By exploring several model systems we conclude that differences in molecular polarisability (and therefore, chemical structure) appear to be less important than differences in molecular packing and separation direction in determining the energetic landscape for charge separation. We note that the results are relevant for finite lattices, but not necessarily for infinite systems. We propose that the model could be used to design molecular systems for effective electronic screening.

Chemical Characteristics of Seawater and Sediment in the Yap Trench

Science.gov (United States)

Ding, H.; Sun, C.; Yang, G.

2017-12-01

In June 2016, seawater samples at sediment-seawater interface and sediment samples were collected by the he Jiaolong, China's manned submersible, at four sampling sites located in the Yap Trench. Seawater samples from different depths of the trench were also collected by CTD. Chemical parameters, including pH, alkanility, concentrations of dissolved inorganic carbon, dissolved and total organic carbon, methane, dimethylsulfoniopropionate, nutrients, carbohydrates, and amino acids were analyzed in the seawater samples. Concentrations of total organic carbon, six constant elements and nine trace elements were determined in the sediment samples. All the vertical profiles of the chemical parameters in the seawater have unique characteristics. Our resluts also showed that the carbonate compensation depth (CCD) was between 4500 m and 5000 m in the trench. The hadal sediment at 6500 m depth under the CCD line was siliceous ooze favored for the burial of orgaic carbon, attributed to accumulation of surface sediment by gravity flow. The abyssal sediment at the 4500 m depth was calcareous ooze. Various microfossils, such as discoasters and diatoms, were identified in different sediment layers of the sediment samples.Based on the ratios of Fe/Al and Ti/Al, and the correlation between different elements, the sediment in the Yap Trench were derived from biogenic, terrestrial, volcanic and autogenic sources. The ratios of Ni/Co and V/Cr showed that the deposition environment of the trench should be oxidative, arributed to inflow of the Antractic bottom oxygen-rich seawater.The high concentraiont of Ca in the sediment from the station 371-Yap-S02 below 4 cm depth indicated that there was no large-scale volcanic eruption in the research area and the volcanic materials in the sediment might orginated from the Mariana Volcanic Arc, and the Carolyn Ridge has been slowly sinking on the east side of the trench due to plate subduction. This study is the first systematic study of

The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

Energy Technology Data Exchange (ETDEWEB)

Tully, John C. [Yale Univ., New Haven, CT (United States)

2017-06-10

Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opens up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.

On electron attachment effect on characteristics of the DBD in chlorine and its mixtures with xenon

Science.gov (United States)

Avtaeva, S. V.

2017-11-01

The electron attachment effect on DBD characteristics in chlorine and its mixtures with xenon has been studied. Characteristics of the DBDs in pure chlorine and in xenon-chlorine mixtures with a chlorine fraction of 0.1-5% were modeled using the fluid model. It is shown that the electron attachment limits a magnitude of the DBD current, contributes to formation of multiple current spikes, appearance of a double layer near the dielectric surface and formation of XeCl* excimer molecules, and leads to a redistribution of the power deposited into the discharge: more power is deposited into ions and less power is deposited into electrons.

Chemical Characteristics of Pumpkin Seed Tempeh From Soybean and Pumpkin Seeds

OpenAIRE

Pujilestari, Shanti; Sandrasari, Diny A; Marida, Rimmaria

2017-01-01

The aim of this research was to find the effect of the combination of soybean and pumpkin seeds on the chemical characteristics of pumpkin seed tempeh. The pumpkin seed tempeh samples were analyzed for its water, ash, protein, fat, carbohydrate and crude fiber. Meanwhile, support data were isoflavone and zinc. Sensory hedonic was conducted by 25 untrained panelists for selecting the best formulation of soybean and pumpkin seeds in tempeh. The result shows the formulation of soybean and pumpki...

Structure and chemical characteristics of natural mineral deposit Terbunskaya (Lipetsk region, Russia)

Energy Technology Data Exchange (ETDEWEB)

Motyleva, S., E-mail: motyleva-svetlana@mail.ru; Mertvishcheva, M. [All-Russian Horticular Institute for Breeding, Agrotechnology and Nursery Russian Academy of Agricultural Sciences, Moskow (Russian Federation); Shchuchka, R.; Gulidova, V. [Yelets state university named after I. A. Bunin, Yelets (Russian Federation)

2015-07-22

New knowledge about the mineralogical features Terbunsky mineral. Investigated 5 fractions isolated from the incision (2-2,5 m). Terbunskaya deposit belongs to minerals Santonian age. Scanning electron microscopy and energy dispersive analysis of fractions isolated studied in detail. In the coarse fractions found ancient organic remains of algae and micro-organisms that have been sedimented together with the mineral component during geological periods. The share of organic inclusions does not exceed 1.5%. Chemical composition confirms the presence of silicon and carbonate organisms. Advantageously proportion of minerals having a layered structure with a plurality of micro and nano pore size 600 - 80-nm and an average chemical composition (wt%): Na (0,64), Mg (0,54), Al (13.48), Si (27 57), K (2.39) Ca (0.75)

Physico-chemical characteristics and environmental exploitation of clinoptilolite Nizny Hrabovec

International Nuclear Information System (INIS)

Chmielewska, E.

1999-01-01

The clinoptilolite tuff used in this study, active mineral content of which was measured according to standardized techniques (e.g. X-ray diffraction, ion-exchange, water-vapor desorption) was 60% enriched. Physico-chemical characteristics considered from point of view as water treatment material and compared to siliceous sand and active coal as well as to some foreign clinoptilolite samples, e.g. mineralogical and chemical composition, thermic, alkali- and acid resistance, specific gravity, surface area, porosity, shipping weight, mechanical attrition and powdering survey, adsorption capacities of clinoptilolite towards Cs, Ba, Co, Fe, I, Ag, Zn and ammonium, hydration-dehydration behaviours and selectivity properties from among a major number of cations, have been investigated. Some pilot plant experiences of drinking water treatment with enhanced ammonium concentration on the field facility close to Bratislava and of tannery waste water treatment at Moravian plant using inland clinoptilolite will be presented. Mass-balance recycling loop for regeneration constituents recovery in tannery processing industry (ammonia and chromium) has been proposed and applied during pilot studies (capacity of installations ∼ 1 m 3 /hr). Iron and ammonium removal by addition of powdered clinoptilolite tuff in chemical coagulation processes for specific polluted surface water purification has been proven, respectively. Economic evaluation of ion-exchange technology by means of clinoptilolite with chemical regeneration and regeneration recovery by air-stripping method and of biological nitrification-denitrification for model hydraulic loading rate 6000 m 3 / day was calculated as well as the operating cost of both technologies were compared and will be documented. (author)

Numerical simulation of inducing characteristics of high energy electron beam plasma for aerodynamics applications

Science.gov (United States)

Deng, Yongfeng; Jiang, Jian; Han, Xianwei; Tan, Chang; Wei, Jianguo

2017-04-01

The problem of flow active control by low temperature plasma is considered to be one of the most flourishing fields of aerodynamics due to its practical advantages. Compared with other means, the electron beam plasma is a potential flow control method for large scale flow. In this paper, a computational fluid dynamics model coupled with a multi-fluid plasma model is established to investigate the aerodynamic characteristics induced by electron beam plasma. The results demonstrate that the electron beam strongly influences the flow properties, not only in the boundary layers, but also in the main flow. A weak shockwave is induced at the electron beam injection position and develops to the other side of the wind tunnel behind the beam. It brings additional energy into air, and the inducing characteristics are closely related to the beam power and increase nonlinearly with it. The injection angles also influence the flow properties to some extent. Based on this research, we demonstrate that the high energy electron beam air plasma has three attractive advantages in aerodynamic applications, i.e. the high energy density, wide action range and excellent action effect. Due to the rapid development of near space hypersonic vehicles and atmospheric fighters, by optimizing the parameters, the electron beam can be used as an alternative means in aerodynamic steering in these applications.

Physical and chemical characteristics of cheese bread, using fermented broken rice

Directory of Open Access Journals (Sweden)

Andressa CORADO

2017-10-01

Full Text Available Abstract Development of new food products, taking as raw material the subproducts obtained during industrial process become an economic and nutritious alternative, since these are usually discarded, caning be a significant nutritional source good. This research aimed to develop cheese bread using fermented broken rice instead of sour starch in four different concentrations (0%, 25%, 50%, 75% and 100%. After the development of formulations, was performed physics and chemicals characterization of products obtained, performing analysis of: proximate composition, dietary fiber, acidity, pH, ºBrix, total soluble sugars, reducing and sucrose. The increased formulations didn’t present significant differences, highlighting the average values of protein 7%, dietary fiber 9% and ash 1.9%. Broken rice, after fermentation process, becomes a profitable alternative instead of the sour starch on cheese breads, saving all the physical and chemical characteristics and being inexpensive.

Hierarchy of Electronic Properties of Chemically Derived and Pristine Graphene Probed by Microwave Imaging

KAUST Repository

Kundhikanjana, Worasom

2009-11-11

Local electrical imaging using microwave impedance microscope is performed on graphene in different modalities, yielding a rich hierarchy of the local conductivity. The low-conductivity graphite oxide and its derivatives show significant electronic inhomogeneity. For the conductive chemical graphene, the residual defects lead to a systematic reduction of the microwave signals. In contrast, the signals on pristine graphene agree well with a lumped-element circuit model. The local impedance information can also be used to verify the electrical contact between overlapped graphene pieces. © 2009 American Chemical Society.

Chemical, physical, and sensory characteristics of analog rice developed from the mocaf, arrowroof, and red bean flour

Science.gov (United States)

Wahjuningsih, S. B.; Susanti, S.

2018-01-01

This research was aimed to analyze the chemical, physical, and sensory characteristics of the analog rice developed from a composite formula consisting of mocaf, arrowroot, and red bean flour. Experiment was designed into 5 different composition types i.e B1 (90%: 0%: 10%), B2 (80%:10%: 10%), B3 (70% : 20% : 10%), B4 (60%: 30%:10%), and B5 (50%: 40%: 10%) which in each type was repeated in 4 times. Carrageenan was used as a binder in the making process of those analog rice. Investigation procedure was carried out into several stages such as preparation and characterization of raw materials, production of analog rice in composite formula, then the testing of its chemical and sensory properties. Chemical characteristics were evaluated about the level of starch, amylose, dietary fiber, and resistant starch while sensory characteristics were examined about the texture, flavor, and aroma. The result showed that based on the sensory test, the best composite formula of rice analog was B2 (ratio flour of mocaf: Arrowroot: Red bean = 80:10:10). In addition, B2 formula possessed the chemical characteristics similar with the truth rice either in water content (12.18%), ash (2.63%), protein (6.17%), fat (1.31%), carbohydrate (89.88%), starch (73.29%), amylose (24.91%), total dietary fiber (7.04%), or resistant starch (6.71%). Furthermore, the higher of arrowroot flour proportion, the greater of amylose, dietary fiber and resistant starch containing in the rice analog. In the opposite, its starch content was getting down.

Chemical characteristic and functional properties of arenga starch-taro (Colocasia esculanta L.) flour noodle with turmeric extracts addition

Science.gov (United States)

Ervika Rahayu N., H.; Ariani, Dini; Miftakhussolikhah, E., Maharani P.; Yudi, P.

2017-01-01

Arenga starch-taro (Colocasia esculanta L.) flour noodle is an alternative carbohydrate source made from 75% arenga starch and 25% taro flour, but it has a different color with commercial noodle product. The addition of natural color from turmeric may change the consumer preference and affect chemical characteristic and functional properties of noodle. This research aims to identify chemical characteristic and functional properties of arenga starch-taro flour noodle with turmeric extract addition. Extraction was performed using 5 variances of turmeric rhizome (0.06; 0.12; 0.18; 0.24; and 0.30 g (fresh weight/ml water). Then, noodle was made and chemical characteristic (proximate analysis) as well as functional properties (amylose, resistant starch, dietary fiber, antioxidant activity) were then evaluated. The result showed that addition of turmeric extract did not change protein, fat, carbohydrate, amylose, and resistant starch content significantly, while antioxidant activity was increased (23,41%) with addition of turmeric extract.

Complete chemical transformation of a molecular film by subexcitation electrons (<3 eV).

Science.gov (United States)

Balog, Richard; Illenberger, Eugen

2003-11-21

The potential of slow electrons to act as a soft tool to control a chemical reaction in the condensed phase is demonstrated. By setting the energy of a well defined electron beam to values below 3 eV, the surface of a thin film of 1,2-C(2)F(4)C(l2) molecules can completely be transformed into molecular chlorine (and by-products, possibly perfluorinated polymers). At higher energies (>6 eV) some equilibrium state between product and educt composition can be achieved, however, accompanied by a gradual overall degradation of the film. The effect of complete transformation is based on both the selectivity and particular energy dependence of the initial step of the reaction which is dissociative electron attachment to C(2)F(4)C(l2), but also the fact that the initial molecule is efficiently decomposed by subexcitation electrons while the product C(l2) is virtually unaffected.

Characteristic of Nitron for Use as a Chemical Sensor in Studies of the Upper Atmosphere

Science.gov (United States)

Meadows, Kapres; Wright, Cassandra K.; Sims, S. C.; Morris, V. R.

1997-01-01

We are investigating the use of nitron as a potential chemical sensor for nitric acid and other electron deficient nitrogen oxides. Solutions of nitron in 1-propanol, toluene, and chloroform have been tested for use on a piezoelectric quartz crystal microbalance. We are testing various solvents and metal cations which can maximize the lifetime and reaction specificity of nitron so that they may be used as chemical coatings for stratospheric measurement of trace gases. Results of the work to date will be shown, and future direction discussed.

Theories of the solvated electron

International Nuclear Information System (INIS)

Kestner, N.R.

1987-01-01

In this chapter the authors address only the final state of the electron, that is, the solvated state, which, if no chemical reaction would occur, is a stable entity with well-defined characteristics. Except for some metal-ammonia solutions, and possible a few other cases, such stable species, in reality, exist but a short time (often as short as microseconds). Nevertheless, this chapter only deals with this final time-independent,'' completely solvated,'' equilibrium species. The last statement is added to indicate that the solvent around the electron has also come to thermal equilibrium with the field of the charge

Effect of intramolecular hydrogen bonding and electron donation on substituted anthrasemiquinone characteristics

International Nuclear Information System (INIS)

Pal, H.; Mukherjee, T.

1994-01-01

The acid-base and redox characteristics of the semiquinones of a number of hydroxy and amino-substituted anthraquinones have been investigated. Results are explained on the basis of electron-donating properties and intramolecular hydrogen bond forming capabilities of the substituents. (author). 4 refs., 1 tab., 1 fig

Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

Energy Technology Data Exchange (ETDEWEB)

Angermann, Heike, E-mail: angermann@helmholtz-berlin.de

2014-09-01

Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D{sub it}(E), and density D{sub it,min} of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly

Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

International Nuclear Information System (INIS)

Angermann, Heike

2014-01-01

Highlights: • Determination of electronic interface properties by contact-less surface photovoltage (SPV) technique. • Systematic correlations of substrate morphology and surface electronic properties. • Optimization of surface pre-treatment for flat, saw damage etched, and textured Si solar cell substrates. • Ultra-thin passivating Si oxide layers with low densities of rechargeable states by wet-chemical oxidation and subsequent annealing. • Environmentally acceptable processes, utilizing hot water, diluted HCl, or ozone low cost alternative to current approaches with concentrated chemicals. • The effect of optimized wet-chemical pre-treatments can be preserved during subsequent layer deposition. - Abstract: The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution D it (E), and density D it,min of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly based on

Binding energies and chemical shifts of least bound core electron excitations in cubic Asub(N)Bsub(8-N) semiconductors

International Nuclear Information System (INIS)

Bechstedt, F.; Enderlein, R.; Wischnewski, R.

1981-01-01

Core electron binding energies Esup(B) with respect to the vacuum level and their chemical shifts are calculated for the least bound core levels of cations and anions of cubic Asub(N)Bsub(8-N) semiconductors. Starting from the HF-binding energy of the free atom absolute values of Esup(B) are obtained by adding core level shifts and relaxation energies. Core level shifts are calculated by means of an electrostatic model with ionic and bond charges according to Phillips' bond charge model. For the calculation of relaxation energies the linear dielectric theory of electronic polarization is applied. Valence and core electrons, and diagonal and non-diagonal screening are taken into account. The theoretical results for chemical shifts of binding energies are compared with experimental values from XPS-measurements corrected by work function data. Good agreement is obtained in all cases within the error limit of about one eV. Chemical and atomic trends of core level shifts, relaxation energies, and binding energies are discussed in terms of changes of atomic and solid state parameters. Chemical shifts and relaxation energies are predicted for various ternary Asub(N)Bsub(8-N) compounds. (author)

Characteristic electron energy loss spectra in SiC buried layers formed by C+ implantation into crystalline silicon

International Nuclear Information System (INIS)

Yan Hui; Chen Guanghua; Kwok, R.W.M.

1998-01-01

SiC buried layers were synthesized by a metal vapor vacuum arc ion source, with C + ions implanted into crystalline Si substrates. According to X-ray photoelectron spectroscopy, the characteristic electron energy loss spectra of the SiC buried layers were studied. It was found that the characteristic electron energy loss spectra depend on the profiles of the carbon content, and correlate well with the order of the buried layers

Chemical and Electronic Structure Studies of Refractory and Dielectric Thin Films.

Science.gov (United States)

Corneille, Jason Stephen

This study presents the synthesis and characterization of oxide and refractory thin films under varying conditions. The deposition of the thin films is performed under vacuum conditions. The characterization of the growth, as well as the chemical and electronic properties of the thin films was accomplished using a broad array of surface analytical techniques. These model studies describe the relationship between the preparative processes and the stoichiometry, structure and electronic properties of the film products. From these efforts, the optimal deposition conditions for the production of high quality films have been established. The thin film oxides synthesized and studied here include magnesium oxide, silicon oxide and iron oxide. These oxides were synthesized on a refractory substrate using both post oxidation of thin films as well as reactive vapor deposition of the metals in the presence of an oxygen background. Comparisons and contrasts are presented for the various systems. Metallic magnesium films were grown and characterized as a preliminary study to the synthesis of magnesium oxide. Magnesium oxide (MgO(100)) was synthesized on Mo(100) by evaporating magnesium at a rate of one monolayer per minute in an oxygen background pressure of 1 times 10 ^{-6} Torr at room temperature. The resulting film was found to exhibit spectroscopic characteristics quite similar to those observed for bulk MgO. The acid/base characteristics of the films were studied using carbon monoxide, water and methanol as probe molecules. The film was found to exhibit essentially the same chemical properties as found in analogous powdered catalysts. Silicon dioxide was synthesized by evaporating silicon onto Mo(100) in an oxygen ambient. It is shown that the silicon oxide prepared at room temperature with a silicon deposition rate of {~ }{1.2}A/min and an oxygen pressure of 2 times 10^{ -8} Torr, consisted of predominantly silicon dioxide with a small fraction of suboxides. Annealing to

Theoretical analysis on radiation and reception characteristics of an oblate spheroidal antenna for electron plasma waves

International Nuclear Information System (INIS)

Ohnuki, S.; Adachi, S.; Ohnuma, T.

1978-01-01

The radiation and reception characteristics of the oblate spheroidal antenna for electron plasma waves are theoretically investigated. The analysis is carried out as a boundary-value problem. The formulas for the radiation and reception characteristics such as radiation impedance, electron charge distributions, radiated wave potential, directional properties, and receiving voltage of the oblate spheroidal antenna are analytically obtained. As a result, it is concluded that the radiation and reception characteristics of the antennas are not uniquely determined by k/sub p/a (k/sub p/ is the wave number of an electron plasma wave, and a is the radius of the circular-plate antenna), but are determined by two out of three factors, k/sub p/a, zeta (radius divided by Debye length), and ω/ω/sub p/ (angular signal frequency to angular plasma frequency). This conclusion is in marked contrast to the conventional theory in which the charge distribution on the antenna is assumed a priori as uniform and, thus, the antenna characteristics are uniquely determined by k/sub p/a. It is claimed that the experimental results obtained hitherto support the present new theory

Effects of ionizing radiation in the physico-chemical characteristics of red wine Cabernet Sauvignon

International Nuclear Information System (INIS)

Silva, Fellipe Souza da; Leiras, Anderson; Wagner, Walsan

2014-01-01

The oenology in the current days is increasingly aimed obtain improvements on wine quality produced without there the deterioration of characteristics of the same, using new technologies for such order. The objective of present work will be the application of the radiation ionizing in wines Cabernet Sauvignon, with the interest of analyzing its effects on physic-chemical characteristics of this wines, such as quality, aging and etc. Were analyzed the following strands: degree alcoholic; dry extract; density and absorbance with spectrometer (420, 520 and 620 nm). (author)

Chemical potential pinning due to equilibrium electron transfer at metal/C{sub 60}-doped polymer interfaces

Energy Technology Data Exchange (ETDEWEB)

Heller, C.M.; Campbell, I.H.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Barashkov, N.N.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75080 (United States)

1997-04-01

We report electroabsorption measurements of the built-in electrostatic potential in metal/C{sub 60}-doped polymer/metal structures to investigate chemical potential pinning due to equilibrium electron transfer from a metal contact to the electron acceptor energy level of C{sub 60} molecules in the polymer film. The built-in potentials of a series of structures employing thin films of both undoped and C{sub 60}-doped poly[2-methoxy, 5-(2{sup {prime}}-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) were measured. For undoped MEH-PPV, which has an energy gap of about 2.4 eV, the maximum built-in potential is about 2.1 eV, whereas for C{sub 60}-doped MEH-PPV the maximum built-in potential decreases to 1.5 eV. Electron transfer to the C{sub 60} molecules close to the metal interface pins the chemical potential of the metal contact near the electron acceptor energy level of C{sub 60} and decreases the built-in potential of the structure. From the systematic dependence of the built-in potential on the metal work function we find that the electron acceptor energy level of C{sub 60} in MEH-PPV is about 1.7 eV above the hole polaron energy level of MEH-PPV. {copyright} {ital 1997 American Institute of Physics.}

Timing characteristics of the VEhU-6 microchannel electron multipliers

International Nuclear Information System (INIS)

Bakhtizin, R.Z.; Yumaguzin, Yu.M.

1982-01-01

The VEhU-6 charnel electron multiplier timing characteristics are experimentally studied. Dependence of monoelectron pulse duration at the VEhU-6 output at different values of channel supply voltage is investigated. The VEhU-6 delay time is measured. Delay time increased from 10 to 30 ns with the increase of channel supply voltage from 2.8 to 3.2 kV (at approximately 10 5 pulse/s loading). Delay time increases with loading decrease

Improvement of Plating Characteristics Between Nickel and PEEK by Plasma Treatment and Chemical Etching

International Nuclear Information System (INIS)

Lee, Hye W.; Lee, Jong K.; Park, Ki Y.

2009-01-01

Surface of PEEK(poly-ether-ether-ketone) was modified by chemical etching, plasma treatment and mechanical grinding to improve the plating adhesion. The plating characteristics of these samples were studied by the contact angle, plating thickness, gloss and adhesion. Chemical etching and plasma treatment increased wettability, adhesion and gloss. The contact angle of as-received PEEK was 61 .deg. . The contact angles of chemical etched, plasma treated or both were improved to the range of 15∼33 .deg. . In the case of electroless plating, the thickest layer without blister was 1.6 μm. The adhesion strengths by chemical etching, plasma treatment or both chemical etching and plasma treatment were 75 kgf/cm 2 , 102 kgf/cm 2 , 113 kgf/cm 2 , respectively, comparing to the 24 kgf/cm 2 of as-received. In the case of mechanically ground PEEKs, the adhesion strengths were higher than those unground, with the sacrifice of surface gloss. The gloss of untreated PEEK were greater than mechanically ground PEEKs. Plating thickness increased linearly with the plating times

Chemical characteristics of fulvic acids from Arctic surface waters: Microbial contributions and photochemical transformations

Science.gov (United States)

Cory, Rose M.; McKnight, Diane M.; Chin, Yu-Ping; Miller, Penney; Jaros, Chris L.

2007-12-01

Dissolved organic matter (DOM) originating from the extensive Arctic tundra is an important source of organic material to the Arctic Ocean. Chemical characteristics of whole water dissolved organic matter (DOM) and the fulvic acid fraction of DOM were studied from nine surface waters in the Arctic region of Alaska to gain insight into the extent of microbial and photochemical transformation of this DOM. All the fulvic acids had a strong terrestrial/higher plant signature, with uniformly depleted δ13C values of -28‰, and low fluorescence indices around 1.3. Several of the measured chemical characteristics of the Arctic fulvic acids were related to water residence time, a measure of environmental exposure to sunlight and microbial activity. For example, fulvic acids from Arctic streams had higher aromatic contents, higher specific absorbance values, lower nitrogen content, lower amino acid-like fluorescence and were more depleted in δ15N relative to fulvic acids isolated from lake and coastal surface waters. The differences in the nitrogen signature between the lake and coastal fulvic acids compared to the stream fulvic acids indicated that microbial contributions to the fulvic acid pool increased with increasing water residence time. The photo-lability of the fulvic acids was positively correlated with water residence time, suggesting that the fulvic acids isolated from source waters with larger water residence times (i.e., lakes and coastal waters) have experienced greater photochemical degradation than the stream fulvic acids. In addition, many of the initial differences in fulvic acid chemical characteristics across the gradient of water residence times were consistent with changes observed in fulvic acid photolysis experiments. Taken together, results from this study suggest that photochemical processes predominantly control the chemical character of fulvic acids in Arctic surface waters. Our findings show that hydrologic transport in addition to

Electron nature of chemically active state of spiropyran with nitro group. Dependence of efficiency of radiation colouring of spiropyrans on their structure

International Nuclear Information System (INIS)

Kholmanskij, A.S.; Zubkov, A.V.; Dyumaev, K.M.

1980-01-01

Using the theory of solvatochromy it is shown that chemically active state of spiropyran with nitro group is its highly polar electron-excitated state. On the basis of the image on the electron nature of chemically active state of spiropyran the dependence of the values of radiation yield of the coloured forms of spiropyrans upon their structure is explained

Microbiological and chemical characteristics of Brazilian kefir during fermentation and storage processes.

Science.gov (United States)

Leite, A M O; Leite, D C A; Del Aguila, E M; Alvares, T S; Peixoto, R S; Miguel, M A L; Silva, J T; Paschoalin, V M F

2013-07-01

The microbial community composition and chemical characteristics of a Brazilian milk kefir sample produced during its manufacturing and refrigerated storage were investigated by culture-dependent and -independent methods and HPLC. Lactococcus lactis ssp. cremoris and ssp. lactis, Leuconostoc mesenteroides, Acetobacter lovaniensis, and Saccharomyces cerevisiae were isolated, whereas the detected bands on denaturing gel gradient electrophoresis corresponded to Lactobacillus kefiranofaciens, Lactobacillus kefiri, Lactobacillus parakefiri, and S. cerevisiae. After fermentation, lactic acid bacteria were present at levels of 10 log units, whereas acetic acid bacteria and yeast were present at levels of 7.8 and 6 log units, respectively. The lactic acid bacteria and yeast counts remained constant, whereas acetic acid bacteria counts decreased to 7.2 log units during storage. From fermentation to final storage, the pH, lactose content and citric acid of the kefir beverage decreased, followed by an increase in the concentrations of glucose, galactose, ethanol, and lactic, acetic, butyric, and propionic acids. These microbiological and chemical characteristics contribute to the unique taste and aroma of kefir. This research may serve as a basis for the future industrial production of this beverage in Brazil. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Numerical prediction of flow and mixing characteristics in CVCS chemical addition system

International Nuclear Information System (INIS)

Chang, K.S.

1999-01-01

A numerical result of the flow and mixing characteristics is presented for the flow field created by water injected into a cylindrical tank with an initially stationary fluid. The flow is relevant to the operation of the chemical addition system in the chemical and volume control system (CVCS) of nuclear power plants. This study was undertaken to provide a basis for modification of the previous design which gave a number of difficulties in installation and operation of the chemical addition system because it needs a special reciprocating pump with a high actual head. For the tank of length-to-diameter ratios (L/D) of 1, 2 and 3, each with and without a baffle inside, calculation results were obtained by solving the unsteady laminar two-dimensional elliptic forms of governing equations for the mass, momentum and species concentration. Finite-difference method was used to obtain discretization equations, and the SIMPLER solution algorithm was employed for the calculation procedure. Results showed that the baffle was very effective in enhancing the mixing in the tank, and that a baffle should be installed near the tank entrance in order to inject chemicals into the reactor coolant system (RCS) within the operating time required. (orig.)

The influence of oxidation properties on the electron emission characteristics of porous silicon

International Nuclear Information System (INIS)

He, Li; Zhang, Xiaoning; Wang, Wenjiang; Wei, Haicheng

2016-01-01

Highlights: • Evaluated the oxidation properties of porous silicon from semi-quantitative methods. • Discovered the relationship between oxidation properties and emission characteristics. • Revealed the micro-essence of the electron emission of the porous silicon. - Abstract: In order to investigate the influence of oxidation properties such as oxygen content and its distribution gradient on the electron emission characteristics of porous silicon (PS) emitters, emitters with PS thickness of 8 μm, 5 μm, and 3 μm were prepared and then oxidized by electrochemical oxidation (ECO) and ECO-RTO (rapid thermal oxidation) to get different oxidation properties. The experimental results indicated that the emission current density, efficiency, and stability of the PS emitters are mainly determined by oxidation properties. The higher oxygen content and the smaller oxygen distribution gradient in the PS layer, the larger emission current density and efficiency we noted. The most favorable results occurred for the PS emitter with the smallest oxygen distribution gradient and the highest level of oxygen content, with an emission current density of 212.25 μA/cm"2 and efficiency of 59.21‰. Additionally, it also demonstrates that thick PS layer benefits to the emission stability due to its longer electron acceleration tunnel. The FN fitting plots indicated that the effective emission areas of PS emitters can be enlarged and electron emission thresholds is decreased because of the higher oxygen content and smaller distribution gradient, which were approved by the optical micrographs of top electrode of PS emitters before and after electron emission.

The influence of oxidation properties on the electron emission characteristics of porous silicon

Energy Technology Data Exchange (ETDEWEB)

He, Li [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Xiaoning, E-mail: znn@mail.xjtu.edu.cn [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Wang, Wenjiang [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Wei, Haicheng [School of Electrical and Information Engineering, Beifang University of Nationalities, Yinchuan750021 (China)

2016-09-30

Highlights: • Evaluated the oxidation properties of porous silicon from semi-quantitative methods. • Discovered the relationship between oxidation properties and emission characteristics. • Revealed the micro-essence of the electron emission of the porous silicon. - Abstract: In order to investigate the influence of oxidation properties such as oxygen content and its distribution gradient on the electron emission characteristics of porous silicon (PS) emitters, emitters with PS thickness of 8 μm, 5 μm, and 3 μm were prepared and then oxidized by electrochemical oxidation (ECO) and ECO-RTO (rapid thermal oxidation) to get different oxidation properties. The experimental results indicated that the emission current density, efficiency, and stability of the PS emitters are mainly determined by oxidation properties. The higher oxygen content and the smaller oxygen distribution gradient in the PS layer, the larger emission current density and efficiency we noted. The most favorable results occurred for the PS emitter with the smallest oxygen distribution gradient and the highest level of oxygen content, with an emission current density of 212.25 μA/cm{sup 2} and efficiency of 59.21‰. Additionally, it also demonstrates that thick PS layer benefits to the emission stability due to its longer electron acceleration tunnel. The FN fitting plots indicated that the effective emission areas of PS emitters can be enlarged and electron emission thresholds is decreased because of the higher oxygen content and smaller distribution gradient, which were approved by the optical micrographs of top electrode of PS emitters before and after electron emission.

Electronic spectra from TDDFT and machine learning in chemical space

International Nuclear Information System (INIS)

Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

2015-01-01

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities

Electronic spectra from TDDFT and machine learning in chemical space

Energy Technology Data Exchange (ETDEWEB)

Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

2015-08-28

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

Model-based Adjustment of Droplet Characteristic for 3D Electronic Printing

Directory of Open Access Journals (Sweden)

Lin Na

2017-01-01

Full Text Available The major challenge in 3D electronic printing is the print resolution and accuracy. In this paper, a typical mode - lumped element modeling method (LEM - is adopted to simulate the droplet jetting characteristic. This modeling method can quickly get the droplet velocity and volume with a high accuracy. Experimental results show that LEM has a simpler structure with the sufficient simulation and prediction accuracy.

Tuning the electronic structure of bulk FeSe with chemical pressure using quantum oscillations and angle resolved photoemission spectroscopy (ARPES)

Science.gov (United States)

Coldea, Amalia

FeSe is a unique and intriguing superconductor which can be tuned into a high temperature superconducting state using applied pressure, chemical intercalation and surface doping. In the absence of magnetism, the structural transition in FeSe is believed to be electronically driven, with the orbital degrees of freedom playing an important part. This scenario supports the stabilization of a nematic state in FeSe, which manifests as a Fermi surface deformation in the presence of strong interactions, as detected by ARPES. Another manifestation of the nematicity is the enhanced nematic susceptibility determined from elastoresistance measurements under applied strain. Isovalent Sulphur substitution onto the Selenium site constitutes a chemical pressure, which subtly modifies the electronic structure of FeSe, suppressing the structural transition without inducing high temperature superconductivity. I will present the evolution of the electronic structure with chemical pressure in FeSe, as determined from quantum oscillations and ARPES studies and I will discuss the suppression of the nematic electronic state and the role of electronic correlations. Experiments were performed at high magnetic field facilities in Tallahassee, Nijmegen and Toulouse and Diamond Light Source, UK. This work is mainly supported by EPSRC, UK (EP/I004475/1, EP/I017836/1) and I acknowledge my collaborators from Refs. .

Electronic structure, chemical bonding, phase stability, and ground-state properties of YNi2-x(Co/Cu)xB2C

International Nuclear Information System (INIS)

Ravindran, P.; Johansson, B.; Eriksson, O.

1998-01-01

In order to understand the role of Ni site substitution on the electronic structure and chemical bonding in YNi 2 B 2 C, we have made systematic electronic-structure studies on YNi 2 B 2 C as a function of Co and Cu substitution using the supercell approach within the local density approximation. The equilibrium volume, bulk modulus (B 0 ) and its pressure derivative (B 0 ' ), Grueneisen constant (γ G ), Debye temperature (Θ D ), cohesive energy (E c ), and heat of formation (ΔH) are calculated for YNi 2-x (Co/Cu) x B 2 C (x=0,0.5,1.0,1.5,2). From the total energy, electron-energy band structure, site decomposed density of states, and charge-density contour we have analyzed the structural stability and chemical bonding behavior of YNi 2 B 2 C as a function of Co/Cu substitution. We find that the simple rigid band model successfully explains the electronic structure and structural stability of Co/Cu substitution for Ni. In addition to studying the chemical bonding and electronic structure we present a somewhat speculative analysis of the general trends in the behavior of critical temperature for superconductivity as a function of alloying. copyright 1998 The American Physical Society

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

Energy Technology Data Exchange (ETDEWEB)

Cheng Ming [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)], E-mail: cheng896@hotmail.com; Su Wupei [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)

2008-12-15

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling.

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

International Nuclear Information System (INIS)

Cheng Ming; Su Wupei

2008-01-01

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling

The electron beam characteristics of energies up to 20 MeV and comparison of electron parameters of linear accelerators

International Nuclear Information System (INIS)

Awada, M.; Elleithy, M.A.; ElWihady, G.F.; Mostafa, K.A.

2005-01-01

The electron beams characteristics studded for the energies 4-20 MeV of Varian 23 EX ,experimental results are presented and compared with the published data. The CADD curves are measured for all energies and carried out the PDD of different applicator sizes ,that compared with the PDD of in the BJR. The quality beam parameters are determined from the CADD curves and calculated the yielded parameters of the corresponding electron energies which compared with the published data of other accelerators and theoretical Monte-Carlo calculation. The beam profiles are measured at different depths to construct the isodose distribution

Project research on nuclear physical and chemical characteristics of actinide nuclides

International Nuclear Information System (INIS)

Yamana, Hajimu; Nakagome, Yoshihiro; Shibata, Seiichi; Fujii, Toshiyuki; Uehara, Akihiro; Shirai, Osamu; Moriyama, Hirotake; Nagai, Takayuki; Yamanaka, Shinsuke; Shinohara, Atsushi; Kurata, Masaki; Myochin, Munetaka; Nakamura, Shoji; Matsuura, Haruaki

2008-01-01

The chemical and nuclear physical characteristics of actinide elements have been investigated using the experimental methods and instruments of this laboratory. This laboratory has a facility in which the transuranium elements (TRU) and the long-lived fission products (LLFP) can be dealt with. The utility of this facility has been expected. The investigation on the actinide elements and its fission products have been carried out as a project research from both view points of science and technology. The research reports during three years (2005-07) are described here. (M.H.)

Chemical characteristics of Central Indian Basin waters during the southern summer

Digital Repository Service at National Institute of Oceanography (India)

DeSousa, S.N.; Sardessai, S.; RameshBabu, V.; Murty, V.S.N.; Gupta, G.V.M.

aspects of oxygen deficient conditions and denitrification in the Arabian Sea. Journal of MarineResearch 45,1049–1072. Redfield,A.C.,Ketchum,B.H.,Richards,F.A.,1963.Theinfluenceoforganismsonthecompositionofseawater.In: Hill, M.N. (Ed.), The Sea: Ideas...-Sea Research II 48 (2001)3343–3352 Chemical characteristics of Central Indian Basin waters during the southern summer S.N. de Sousa*,S.D. Sardessai, V. Ramesh Babu, V.S.N. Murty, G.V.M. Gupta NationalInstituteofOceanography,DonaPaula,Goa403004,India Abstract...

Effects of gamma irradiation on physical-chemical properties and dewatering characteristics of sludges

International Nuclear Information System (INIS)

Groneman, A.F.

1976-01-01

Separation of solids from liquids is a paramount operation in the processes applied in treating sewage and waste waters. Therfore, studies were undertaken to investigate effects of gamma irradiation on the physical-chemical properties of sludges and the de-watering characteristics of anaerobically digested sludge and aerobically activated sludge. A dose of 300 krad reduced the specific resistance of anaerobically digested sludges from 33 x 10 sec 2 /g to approximately 10 x 10 9 sec 2 /g. This conditioning effect was little influenced by the presence of oxygen or nitrogen. Pasteurization increased the specific resistance to filtration up to 48 x 10 9 sec 2 /g. Dewatering characteristics of raw sludge were not affected by irradiation in the presence of oxygen but a slight conditioning effect was noticed when the sludge was irradiated under deaerated conditions. Experimental evidence indicated that gamma irradiation detached organic substances from the sludge flocks resulting in a decrease of the specific resistance and an increase in the Total Organic Carbon (TOC) and the Chemical Oxygen Demand (COD) in the filtrates. Elutriation reduced but did not eliminate the conditioning effect of gamma irradiation. (author)

Dosimetric characteristics of a MOSFET dosimeter for clinical electron beams.

Science.gov (United States)

Manigandan, D; Bharanidharan, G; Aruna, P; Devan, K; Elangovan, D; Patil, Vikram; Tamilarasan, R; Vasanthan, S; Ganesan, S

2009-09-01

The fundamental dosimetric characteristics of commercially available metal oxide semiconductor field effect transistor (MOSFET) detectors were studied for clinical electron beam irradiations. MOSFET showed excellent linearity against doses measured using an ion chamber in the dose range of 20-630cGy. MOSFET reproducibility is better at high doses compared to low doses. The output factors measured with the MOSFET were within +/-3% when compared with those measured with a parallel plate chamber. From 4 to 12MeV, MOSFETs showed a large angular dependence in the tilt directions and less in the axial directions. MOSFETs do not show any dose-rate dependence between 100 and 600MU/min. However, MOSFETs have shown under-response when the dose per pulse of the beam is decreased. No measurable effect in MOSFET response was observed in the temperature range of 23-40 degrees C. The energy dependence of a MOSFET dosimeter was within +/-3.0% for 6-18MeV electron beams and 5.5% for 4MeV ones. This study shows that MOSFET detectors are suitable for dosimetry of electron beams in the energy range of 4-18MeV.

I-V characteristic of electronic transport through a quantum dot chain: The role of antiresonance

International Nuclear Information System (INIS)

Liu Yu; Zheng Yisong; Gong Weijiang; Lue Tianquan

2006-01-01

The I-V spectrum of electronic transport through a quantum dot chain is calculated by means of the nonequilibrium Green function technique. In such a system, two arbitrary quantum dots are connected with two electron reservoirs through leads. When the dot-lead coupling is very weak, a series of discrete resonant peaks in electron transmission function cause staircase-like I-V characteristic. On the contrary, in the relatively strong dot-lead coupling regime, stairs in the I-V spectrum due to resonance vanish. However, when there are some dangling quantum dots in the chain outside two leads, the antiresonance which corresponds to the zero points of electron transmission function brings about novel staircase characteristic in the I-V spectrum. Moreover, two features in the I-V spectrum arising from the antiresonance are pointed out, which are significant for possible device applications. One is the multiple negative differential conductance regions, and another is regarding to create a highly spin-polarized current through the quantum dot chain by the interplay of the resonance and antiresonance. Finally, we focus on the role that the many-body effect plays on the antiresonance. Our result is that the antiresonance remains when the electron interaction is considered to the second order approximation

Chemical and texture characteristics and sensory properties of “mozzarella” cheese from different feeding systems

Directory of Open Access Journals (Sweden)

R. Rubino

2010-02-01

Full Text Available The aim of this study was describing the chemical composition, the rheological characteristics and the sensory properties of “mozzarella” cheese produced with milk from buffalos fed with different diets. The study involved two farms and four feeding systems. In farm C, one group was mostly fed with Ryegrass Hay (RH and the other group with Ryegrass Silage (RS. In farm T, instead, one group was mostly fed with Corn Silage (CS and the other one with a Sorghum Silage (SS. In summer, three cheesemakings, for each farm and for each feeding system, were carried out at C.R.A. of Bella. In each farm, data were processed by the analysis of variance in order to compare the effects of two feeding systems. Some parameters of chemical and texture characteristics and sensory properties were influenced by the feeding system. Results were remarkable for the DOP products.

Electronic parameters and top surface chemical stability of RbPb{sub 2}Br{sub 5}

Energy Technology Data Exchange (ETDEWEB)

Atuchin, V.V., E-mail: atuchin@thermo.isp.nsc.ru [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Isaenko, L.I. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Kesler, V.G. [Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Pokrovsky, L.D. [Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 90, 630090 (Russian Federation); Tarasova, A.Yu. [Laboratory of Crystal Growth, Institute of Geology and Mineralogy, SB RAS, Novosibirsk 90, 630090 (Russian Federation)

2012-01-16

Highlights: Black-Right-Pointing-Pointer Bridgman growth of RbPb{sub 2}Br{sub 5} crystal. Black-Right-Pointing-Pointer Electronic structure measurements with XPS. Black-Right-Pointing-Pointer Optical crystalline surface fabrication. - Abstract: The RbPb{sub 2}Br{sub 5} crystal has been grown by Bridgman method. The electronic structure of RbPb{sub 2}Br{sub 5} has been measured with XPS for a powder sample. High chemical stability of RbPb{sub 2}Br{sub 5} surface is verified by weak intensity of O 1s core level recorded by XPS and structural RHEED measurements. Chemical bonding effects have been observed by the comparative analysis of element core levels and crystal structure of RbPb{sub 2}Br{sub 5} and several rubidium- and lead-containing bromides using binding energy difference parameters {Delta}{sub Rb} = (BE Rb 3d - BE Br 3d) and {Delta}{sub Pb} = (BE Pb 4f{sub 7/2} - BE Br 3d).

Homogeneity of Ge-rich nanostructures as characterized by chemical etching and transmission electron microscopy

International Nuclear Information System (INIS)

Bollani, Monica; Chrastina, Daniel; Montuori, Valeria; Vanacore, Giovanni M; Tagliaferri, Alberto; Sordan, Roman; Terziotti, Daniela; Bonera, Emiliano; Spinella, Corrado; Nicotra, Giuseppe

2012-01-01

The extension of SiGe technology towards new electronic and optoelectronic applications on the Si platform requires that Ge-rich nanostructures be obtained in a well-controlled manner. Ge deposition on Si substrates usually creates SiGe nanostructures with relatively low and inhomogeneous Ge content. We have realized SiGe nanostructures with a very high (up to 90%) Ge content. Using substrate patterning, a regular array of nanostructures is obtained. We report that electron microscopy reveals an abrupt change in Ge content of about 20% between the filled pit and the island, which has not been observed in other Ge island systems. Dislocations are mainly found within the filled pit and only rarely in the island. Selective chemical etching and electron energy-loss spectroscopy reveal that the island itself is homogeneous. These Ge-rich islands are possible candidates for electronic applications requiring locally induced stress, and optoelectronic applications which exploit the Ge-like band structure of Ge-rich SiGe. (paper)

Homogeneity of Ge-rich nanostructures as characterized by chemical etching and transmission electron microscopy.

Science.gov (United States)

Bollani, Monica; Chrastina, Daniel; Montuori, Valeria; Terziotti, Daniela; Bonera, Emiliano; Vanacore, Giovanni M; Tagliaferri, Alberto; Sordan, Roman; Spinella, Corrado; Nicotra, Giuseppe

2012-02-03

The extension of SiGe technology towards new electronic and optoelectronic applications on the Si platform requires that Ge-rich nanostructures be obtained in a well-controlled manner. Ge deposition on Si substrates usually creates SiGe nanostructures with relatively low and inhomogeneous Ge content. We have realized SiGe nanostructures with a very high (up to 90%) Ge content. Using substrate patterning, a regular array of nanostructures is obtained. We report that electron microscopy reveals an abrupt change in Ge content of about 20% between the filled pit and the island, which has not been observed in other Ge island systems. Dislocations are mainly found within the filled pit and only rarely in the island. Selective chemical etching and electron energy-loss spectroscopy reveal that the island itself is homogeneous. These Ge-rich islands are possible candidates for electronic applications requiring locally induced stress, and optoelectronic applications which exploit the Ge-like band structure of Ge-rich SiGe.

Enhanced field emission characteristics of boron doped diamond films grown by microwave plasma assisted chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Koinkar, Pankaj M. [Center for International Cooperation in Engineering Education (CICEE), University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan); Patil, Sandip S. [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Kim, Tae-Gyu [Department of Nano System and Process Engineering, Pusan National University, 50 Cheonghak-ri, Samrangjin-eup, Miryang, Gyeongnam, Pusan 627-706 (Korea, Republic of); Yonekura, Daisuke [Department of Mechanical Engineering, University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan); More, Mahendra A., E-mail: mam@physics.unipune.ac.in [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Joag, Dilip S. [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Murakami, Ri-ichi, E-mail: murakami@me.tokushima-u.ac.jp [Department of Mechanical Engineering, University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan)

2011-01-01

Boron doped diamond films were synthesized on silicon substrates by microwave plasma chemical vapor deposition (MPCVD) technique. The effect of B{sub 2}O{sub 3} concentration varied from 1000 to 5000 ppm on the field emission characteristics was examined. The surface morphology and quality of films were characterized by scanning electron microscope (SEM) and Raman spectroscopy. The surface morphology obtained by SEM showed variation from facetted microcrystal covered with nanometric grains to cauliflower of nanocrystalline diamond (NCD) particles with increasing B{sub 2}O{sub 3} concentration. The Raman spectra confirm the formation of NCD films. The field emission properties of NCD films were observed to improve upon increasing boron concentration. The values of the onset field and threshold field are observed to be as low as 0.36 and 0.08 V/{mu}m, respectively. The field emission current stability investigated at the preset value of {approx}1 {mu}A is observed to be good, in each case. The enhanced field emission properties are attributed to the better electrical conductivity coupled with the nanometric features of the diamond films.

A systematic review of the physical and chemical characteristics of pollutants from biomass burning and combustion of fossil fuels and health effects in Brazil.

Science.gov (United States)

Oliveira, Beatriz Fátima Alves de; Ignotti, Eliane; Hacon, Sandra S

2011-09-01

The aim of this study was to carry out a review of scientific literature published in Brazil between 2000 and 2009 on the characteristics of air pollutants from different emission sources, especially particulate matter (PM) and its effects on respiratory health. Using electronic databases, a systematic literature review was performed of all research related to air pollutant emissions. Publications were analyzed to identify the physical and chemical characteristics of pollutants from different emission sources and their related effects on the respiratory system. The PM2.5 is composed predominantly of organic compounds with 20% of inorganic elements. Higher concentrations of metals were detected in metropolitan areas than in biomass burning regions. The relative risk of hospital admissions due to respiratory diseases in children was higher than in the elderly population. The results of studies of health effects of air pollution are specific to the region where the emissions occurred and should not be used to depict the situation in other areas with different emission sources.

Magnetic defects in chemically converted graphene nanoribbons: electron spin resonance investigation

Energy Technology Data Exchange (ETDEWEB)

Singamaneni, Srinivasa Rao, E-mail: ssingam@ncsu.edu [INPAC – Institute for Nanoscale Physics and Chemistry, Semiconductor Physics Laboratory, K.U. Leuven, Celestijnenlaan 200D, B–3001 Leuven (Belgium); Materials Science Division, Army Research Office, Research Triangle Park, North Carolina 27709 (United States); Department of Material Science and Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Stesmans, Andre [INPAC – Institute for Nanoscale Physics and Chemistry, Semiconductor Physics Laboratory, K.U. Leuven, Celestijnenlaan 200D, B–3001 Leuven (Belgium); Tol, Johan van [National High Magnetic Field Laboratory, Florida State University, 1800 E. Paul Dirac Drive, Tallahassee, Florida 32310 (United States); Kosynkin, D. V. [Department of Chemistry, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Tour, James M. [Department of Chemistry, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Department of Mechanical Engineering and Materials Science, Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005 (United States); Smalley Institute for Nanoscale Science and Technology, Rice University, MS-222, 6100 Main Street, Houston, Texas 77005, USA. (United States)

2014-04-15

Electronic spin transport properties of graphene nanoribbons (GNRs) are influenced by the presence of adatoms, adsorbates and edge functionalization. To improve the understanding of the factors that influence the spin properties of GNRs, local (element) spin-sensitive techniques such as electron spin resonance (ESR) spectroscopy are important for spintronics applications. Here, we present results of multi-frequency continuous wave (CW), pulse and hyperfine sublevel correlation (HYSCORE) ESR spectroscopy measurements performed on oxidatively unzipped graphene nanoribbons (GNRs), which were subsequently chemically converted (CCGNRs) with hydrazine. ESR spectra at 336 GHz reveal an isotropic ESR signal from the CCGNRs, of which the temperature dependence of its line width indicates the presence of localized unpaired electronic states. Upon functionalization of CCGNRs with 4-nitrobenzene diazonium tetrafluoroborate, the ESR signal is found to be 2 times narrower than that of pristine ribbons. NH{sub 3} adsorption/desorption on CCGNRs is shown to narrow the signal, while retaining the signal intensity and g value. The electron spin-spin relaxation process at 10 K is found to be characterized by slow (163 ns) and fast (39 ns) components. HYSCORE ESR data demonstrate the explicit presence of protons and {sup 13}C atoms. With the provided identification of intrinsic point magnetic defects such as proton and {sup 13}C has been reported, which are roadblocks to spin travel in graphene-based materials, this work could help in advancing the present fundamental understanding on the edge-spin (or magnetic)-based transport properties of CCGNRs.

Magnetic defects in chemically converted graphene nanoribbons: electron spin resonance investigation

Directory of Open Access Journals (Sweden)

Srinivasa Rao Singamaneni

2014-04-01

Full Text Available Electronic spin transport properties of graphene nanoribbons (GNRs are influenced by the presence of adatoms, adsorbates and edge functionalization. To improve the understanding of the factors that influence the spin properties of GNRs, local (element spin-sensitive techniques such as electron spin resonance (ESR spectroscopy are important for spintronics applications. Here, we present results of multi-frequency continuous wave (CW, pulse and hyperfine sublevel correlation (HYSCORE ESR spectroscopy measurements performed on oxidatively unzipped graphene nanoribbons (GNRs, which were subsequently chemically converted (CCGNRs with hydrazine. ESR spectra at 336 GHz reveal an isotropic ESR signal from the CCGNRs, of which the temperature dependence of its line width indicates the presence of localized unpaired electronic states. Upon functionalization of CCGNRs with 4-nitrobenzene diazonium tetrafluoroborate, the ESR signal is found to be 2 times narrower than that of pristine ribbons. NH3 adsorption/desorption on CCGNRs is shown to narrow the signal, while retaining the signal intensity and g value. The electron spin-spin relaxation process at 10 K is found to be characterized by slow (163 ns and fast (39 ns components. HYSCORE ESR data demonstrate the explicit presence of protons and 13C atoms. With the provided identification of intrinsic point magnetic defects such as proton and 13C has been reported, which are roadblocks to spin travel in graphene-based materials, this work could help in advancing the present fundamental understanding on the edge-spin (or magnetic-based transport properties of CCGNRs.

Electronic and Mechanical Properties of GrapheneGermanium Interfaces Grown by Chemical Vapor Deposition

Science.gov (United States)

2015-10-27

that graphene acts as a diffusion barrier to ambient contaminants, as similarly prepared bare Ge exposed to ambient conditions possesses a much...in-plane order underneath the graphene (Figure 1b,f). The stabilization of Ge terraces with half-step heights indicates that the graphene modifies the...Electronic and Mechanical Properties of Graphene −Germanium Interfaces Grown by Chemical Vapor Deposition Brian Kiraly,†,‡ Robert M. Jacobberger

Study on flow characteristics of chemically reacting liquid jet

International Nuclear Information System (INIS)

Hong Seon Dae; Okamoto, Koji; Takata, Takashi; Yamaguchi, Akira

2004-07-01

Tube rupture accidents in steam generators of sodium-cooled fast breeder reactors are important for safety because the rupture may propagates to neighboring tubes due to sodium-water reaction. In order to clarify the thermal-hydraulic phenomena in the accidents, the flow pattern and the interface in multi-phase flow must be investigated. The JNC cooperative research scheme on the nuclear fuel cycle with the University of Tokyo has been carried to develop a simultaneous measurement system of concentration and velocity profiles and to evaluate influence of chemical reaction on mixing phenomena. In the experiments, aqueous liquor of acetic acid and ammonium hydroxide are selected as a simulant fluid instead of liquid sodium and water vapor. The following conclusions are obtained in this research. Laser Induced Fluorescence (LIF) technique was adopted to measure reacting zone and pH distribution in chemically reacting liquid round free jet. As a result, it was found that the chemical reaction, which took place at the interface between the jet and outer flow, suppressed the mixing phenomenon (in 2001 research). Dynamic Particle Image Velocimetry (PIV) method was developed to measure instantaneous velocity profile with high temporal resolution. In the Dynamic PIV, a high-speed video camera coupled with a high-speed laser pulse generator was implemented. A time-line trend of interfacial area in the free jet was investigated with the Dynamic PIV. This technique was also applied to a complicated geometry (in 2002 research). A new algorithms for image analysis was developed to evaluated the Dynamic PIV data in detail. The characteristics of the mixing phenomenon with reacting jet such as the turbulent kinetic energy and the Reynolds stress were estimated in a spatial and temporal spectrum (in 2003 research). (author)

Effects of SiNx on two-dimensional electron gas and current collapse of AlGaN/GaN high electron mobility transistors

International Nuclear Information System (INIS)

Fan, Ren; Zhi-Biao, Hao; Lei, Wang; Lai, Wang; Hong-Tao, Li; Yi, Luo

2010-01-01

SiN x is commonly used as a passivation material for AlGaN/GaN high electron mobility transistors (HEMTs). In this paper, the effects of SiN x passivation film on both two-dimensional electron gas characteristics and current collapse of AlGaN/GaN HEMTs are investigated. The SiN x films are deposited by high- and low-frequency plasma-enhanced chemical vapour deposition, and they display different strains on the AlGaN/GaN heterostructure, which can explain the experiment results. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Physico-chemical characteristics and market potential of sawdust charcoal briquette

Energy Technology Data Exchange (ETDEWEB)

Akowuah, Joseph O.; Kemausuor, Francis [Kwame Nkrumah Univ. of Science and Technology, Kumasi (Ghana). Dept. of Agricultural Engineering; Mitchual, Stephen J. [Univ. of Education, Winneba, Kumasi (Ghana). Dept. of Design and Technology Education

2012-11-01

In the absence of the widespread distribution of modern cooking fuels in developing countries, efforts are being made to utilise biomass residues which abound in most of these countries. This is intended to replace portions of firewood and charcoal and thereby reduce the cutting down of forests for fuel purposes. Briquettes from agro-residues have therefore been promoted as a better replacement to firewood and charcoals for heating, cooking and other industrial applications in both urban and rural communities. This study sought to assess the physico-chemical properties of charcoal briquettes produced in Ghana and also establish demand for and willingness of potential users to substitute charcoal and firewood with a charcoal briquette. A laboratory experiment was conducted to determine the physicochemical characteristics of the briquettes. This was done prior to the distribution of the briquette to potential users to collaborate their views or otherwise on the handling and burning characteristics of the charcoal briquette. A survey was undertaken a week later using questionnaires to access the willingness of the potential users to use the briquettes. Sixty respondents were purposively selected from households and the hospitality industry for the survey. Results of the physico-chemical assessment of the briquettes were as follows: length (75 to 120 mm), moisture content (5.7% dry basis), density (1.1 g/cm{sup 3}), ash content (2.6%), fixed carbon (20.7%), volatile matter (71%) and calorific value (4,820 kcal/kg). Responses from the survey indicated that the briquette is easy to ignite, has a long burning time and has good heat output. Respondents also observed that the briquettes did not give off sparks and had less smoke and ash content as compared to the regular charcoal they often used. Finally, 93% of the respondents indicated their willingness to use the briquettes if the price was comparable to charcoal. (orig.)

Transverse and temporal characteristics of a high-gain free-electron laser in the saturation regime

CERN Document Server

Huang Zhi Rong

2002-01-01

The transverse and the temporal characteristics of a high-gain free-electron laser are governed by refractive guiding and sideband instability, respectively. Using the self-consistent Vlasov-Maxwell equations, we explicitly determine the effective index of refraction and the guided radiation mode for an electron beam with arbitrary transverse size. Electrons trapped by the guided radiation execute synchrotron oscillation and hence are susceptible to the sideband instability. We explain the spectral evolution and determine the sideband growth rate. These theoretical predictions agree well with GINGER simulation results.

ANALYSIS AND IDENTIFICATION SPIKING CHEMICAL COMPOUNDS RELATED TO CHEMICAL WEAPON CONVENTION IN UNKNOWN WATER SAMPLES USING GAS CHROMATOGRAPHY AND GAS CHROMATOGRAPHY ELECTRON IONIZATION MASS SPECTROMETRY

Directory of Open Access Journals (Sweden)

Harry Budiman

2010-06-01

Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

Characteristics of hot electron ring in a simple magnetic mirror field

International Nuclear Information System (INIS)

Hosokawa, M.; Ikegami, H.

1980-12-01

Characteristics of hot electron ring are studied in a simple magnetic mirror machine (mirror ratio 2 : 1) with a diameter of 30 cm at the midplane and with the distance of 80 cm between the mirrors. Maximum microwave input power is 5 kW at 6.4 GHz with the corresponding power density of approximately 0.3 W/cm 3 . With a background cold plasma of 4 x 10 11 cm -3 , hot electron rings are most effectively generated in two cases when the magnetic field on the axis of the midplane is set near the fundamental or the second harmonic electron cyclotron resonance to the applied microwave frequency. Density profile of the hot electrons is observed to take a so-called ring shape with a radius controllable by the magnetic field intensity and with an axial length of approximately 10 cm. The radial cut view of the ring, however, indicates an M shape density profile, and the density of the hot electrons on the axis is about one half of the density at the ring. Approximately 30 msec is needed before generating the hot electron ring at the density of 10 10 cm -3 with an average kinetic energy of 100 keV. The ultimate energy distribution function is observed to have a stepwise cut in the high energy tail and no energetic components above 1 MeV are detected. The hot electron ring is susceptible to a few instabilities which can be artificially triggered. One of the instabilities is observed to associate with a loss of lower energetic electrons and microwave bursts. At the instability, the ring shape is observed to transform into a filled cylinder in a few microseconds and disappear. (author)

Effect of oxygen plasma on field emission characteristics of single-wall carbon nanotubes grown by plasma enhanced chemical vapour deposition system

Energy Technology Data Exchange (ETDEWEB)

Kumar, Avshish; Parveen, Shama; Husain, Samina; Ali, Javid; Zulfequar, Mohammad [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Harsh [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Husain, Mushahid, E-mail: mush-reslab@rediffmail.com [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India)

2014-02-28

Field emission properties of single wall carbon nanotubes (SWCNTs) grown on iron catalyst film by plasma enhanced chemical vapour deposition system were studied in diode configuration. The results were analysed in the framework of Fowler-Nordheim theory. The grown SWCNTs were found to be excellent field emitters, having emission current density higher than 20 mA/cm{sup 2} at a turn-on field of 1.3 V/μm. The as grown SWCNTs were further treated with Oxygen (O{sub 2}) plasma for 5 min and again field emission characteristics were measured. The O{sub 2} plasma treated SWCNTs have shown dramatic improvement in their field emission properties with emission current density of 111 mA/cm{sup 2} at a much lower turn on field of 0.8 V/μm. The as grown as well as plasma treated SWCNTs were also characterized by various techniques, such as scanning electron microscopy, high resolution transmission electron microscopy, Raman spectroscopy, and Fourier transform infrared spectroscopy before and after O{sub 2} plasma treatment and the findings are being reported in this paper.

Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log SW, log KOA, and log KOW with electron-correlation

International Nuclear Information System (INIS)

Chayawan; Vikas

2015-01-01

Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S W ), octanol–water partition coefficient (log K OW ) and octanol–air partition coefficient (log K OA ) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients

COMPARISON BETWEEN SOME PHYSICAL - CHEMICAL CHARACTERISTICS OF CACAO MILK AND RAW MILK

OpenAIRE

Florin Roman

2009-01-01

The paper presents a comparison between some physical - chemical characteristics of the cacao milk and of the raw milk. For this comparison we made the following determinations for both types of milk: the determination of the dry substance using the drying oven with a 102 °C temperature, the determination of the proteic substance by titration with sodium hydroxide ( NaOH ) N/10, the milk pasteurization control by the starch and potassium iodide test and the pH determination using the indicato...

DNA-Based Identification and Chemical Characteristics of Hypnea musciformis from Coastal Sites in Ghana

DEFF Research Database (Denmark)

Ale, Marcel Tutor; Barrett, Kristian; Addico, Gloria

2016-01-01

This work reveals new, important insights about the influence of broad spatial variationson the phylogenetic relationship and chemical characteristics of Ghanaian Hypnea musciformis—acarrageenan-containing red seaweed. DNA barcoding techniques alleviate the difficulty for accurate morphological i...

The effects of high electronic energy loss on the chemical modification of polyimide

CERN Document Server

SunYouMei; Jin Yun Fan; Liu Chang Long; LiuJie; Wang Zhi Guang; Zhang Qi; Zhu Zhi Yong

2002-01-01

In order to observe the role of electronic energy loss (dE/dX) sub e on chemical modification of polyimide (PI), the multi-layer stacks (corresponding to different dE/dX) were irradiated by different swift heavy ions (1.37 GeV Ar sup 4 sup 0 , 1.98 GeV Kr sup 8 sup 4 , 1.755 GeV Xe sup 1 sup 3 sup 6 and 2.636 GeV U sup 2 sup 3 sup 8) under vacuum and room temperature. The chemical changes of modified PI films were studied by Fourier transform infrared (FTIR) and ultraviolet/visible (UV/Vis) absorption spectroscopy. The degradation of PI was investigated in the fluence range from 1x10 sup 1 sup 0 to 5.5x10 sup 1 sup 2 ions/cm sup 2 and different electronic energy loss from 0.77 to 11.5 keV/nm. The FTIR results show the absorbance of the typical function group decrease exponentially as a function of fluence. The alkyne end group was found after irradiation and its formation radii were 5.6 and 5.9 nm corresponding to 8.8 and 11.5 keV/nm Xe irradiation respectively. UV/Vis analysis indicates the radiation induced...

Monitoring of energetic characteristics of electron beams during formation of high-power pulsed bremsstrahlung

International Nuclear Information System (INIS)

Ivaschenko, D.M.; Mordasov, N.G.; Chlenov, A.M.

2005-01-01

A method and a device for monitoring the dynamic and integrated characteristics of high-power electron and bremsstrahlung beams of the pulse accelerators are proposed. The transfer functions for various types of a target in operating conditions of the pulse accelerator UIN-10 are presented. Possibilities if the integrated diagnostics of acceleration rate of the electron beams with simultaneous testing of the bremsstrahlung parameters as a local field point beyond the converting target are shown [ru

Noncovalent Molecular Electronics.

Science.gov (United States)

Gryn'ova, G; Corminboeuf, C

2018-05-03

Molecular electronics covers several distinctly different conducting architectures, including organic semiconductors and single-molecule junctions. The noncovalent interactions, abundant in the former, are also often found in the latter, i.e., the dimer junctions. In the present work, we draw the parallel between the two types of noncovalent molecular electronics for a range of π-conjugated heteroaromatic molecules. In silico modeling allows us to distill the factors that arise from the chemical nature of their building blocks and from their mutual arrangement. We find that the same compounds are consistently the worst and the best performers in the two types of electronic assemblies, emphasizing the universal imprint of the underlying chemistry of the molecular cores on their diverse charge transport characteristics. The interplay between molecular and intermolecular factors creates a spectrum of noncovalent conductive architectures, which can be manipulated using the design strategies based upon the established relationships between chemistry and transport.

Taste and chemical characteristics of low molecular weight fractions from tofuyo - Japanese fermented soybean curd.

Science.gov (United States)

Lioe, Hanifah Nuryani; Kinjo, Ayano; Yasuda, Shin; Kuba-Miyara, Megumi; Tachibana, Shinjiro; Yasuda, Masaaki

2018-06-30

Tofuyo, a Japanese traditional food, is a fermented soybean curd manufactured in Okinawa region. Due to its original cheese-like flavor, the current study was designed to evaluate the sensory and chemical characteristics of three stepwise ultrafiltration fractions, using 10,000, 3000 and 500 Da membranes and further chromatographic fractions from tofuyo. The results showed that umami, sweet and salty were the characteristic tastes of all fractions, with umami intensity evaluated for the fraction with MW less than 500 Da (F-500) as the most prominent among the three fractions. Subsequent Sephadex G-25 SF fractions and RP-HPLC fractions were subjected to sensory and chemical analyses. The tastiest fraction contained sodium chloride, sugars, organic acids, umami and sweet free amino acids, at concentrations above their thresholds. The abundant presence of umami and sweet free amino acids with certain concentrations of sodium chloride and glucose might provide the typical savory taste of tofuyo. Copyright © 2018 Elsevier Ltd. All rights reserved.

Nobel Prize 1992: Rudolph A. Marcus: theory of electron transfer reactions in chemical systems

International Nuclear Information System (INIS)

Ulate Segura, Diego Guillermo

2011-01-01

A review of the theory developed by Rudolph A. Marcus is presented, who for his rating to the theory of electron transfer in chemical systems was awarded the Nobel Prize in Chemistry in 1992. Marcus theory has constituted not only a good extension of the use of a spectroscopic principle, but also has provided an energy balance and the application of energy conservation for electron transfer reactions. A better understanding of the reaction coordinate is exposed in terms energetic and establishing the principles that govern the transfer of electrons, protons and some labile small molecular groups as studied at present. Also, the postulates and equations described have established predictive models of reaction time, very useful for industrial environments, biological, metabolic, and others that involve redox processes. Marcus theory itself has also constituted a large contribution to the theory of complex transition [es

A two-temperature chemical non-equilibrium modeling of DC arc plasma

International Nuclear Information System (INIS)

Qian Haiyang; Wu Bin

2011-01-01

To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory

NARCIS (Netherlands)

Kiewisch, K.; Jacob, C.R.; Visscher, L.

2013-01-01

The ability to calculate accurate electron densities of full proteins or of selected sites in proteins is a prerequisite for a fully quantum-mechanical calculation of protein-protein and protein-ligand interaction energies. Quantum-chemical subsystem methods capable of treating proteins and other

Formation of hydrogen-related traps in electron-irradiated n-type silicon by wet chemical etching

International Nuclear Information System (INIS)

Tokuda, Yutaka; Shimada, Hitoshi

1998-01-01

Interaction of hydrogen atoms and vacancy-related defects in 10 MeV electron-irradiated n-type silicon has been studied by deep-level transient spectroscopy. Hydrogen has been incorporated into electron-irradiated n-type silicon by wet chemical etching. The reduction of the concentration of the vacancy-oxygen pair and divacancy occurs by the incorporation of hydrogen, while the formation of the NH1 electron trap (E c - 0.31 eV) is observed. Further decrease of the concentration of the vacancy-oxygen pair and further increase of the concentration of the NH1 trap are observed upon subsequent below-band-gap light illumination. It is suggested that the trap NH1 is tentatively ascribed to the vacancy-oxygen pair which is partly saturated with hydrogen

Chemical sensor

Science.gov (United States)

Rauh, R. David (Inventor)

1990-01-01

A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

Comparison of the physical and chemical characteristics of fine road dust at different urban sites.

Science.gov (United States)

Lee, Kwang Yul; Batmunkh, Tsatsral; Joo, Hung Soo; Park, Kihong

2018-04-18

The size distribution and chemical components of a fine fraction (road dust collected at urban sites in Korea (Gwangju) and Mongolia (Ulaanbaatar) where distinct urban characteristics exist were measured. A clear bimodal size distribution was observed for the resuspended fine road dust at the urban sites in Korea. The first mode peaked at 100-110 nm, and the second peak was observed at 435-570 nm. Ultrafine mode (~30 nm) was found for the fine road dust at the Mongolia site, which was significantly affected by residential coal/biomass burning. The contribution of the water-soluble ions to the fine road dust was higher at the sites in Mongolia (15.8-16.8%) than at those in Korea (1.2-4.8%). Sulfate and chloride were the most dominant ionic species for the fine road dust in Mongolia. As (arsenic) was also much higher for the Mongolian road dust than the others. The sulfate, chloride, and As mainly come from coal burning activity, suggesting that coal and biomass combustion in Mongolia during the heating season should affect the size and chemical components of the fine road dust. Cu (copper) and Zn (zinc), carbonaceous particles (organic carbon [OC] and elemental carbon [EC]) increased at sites in Korea, suggesting that the fine road dust at these sites was significantly affected by the high volume of traffic (engine emission and brake/tire wear). Our results suggest that chemical profiles for road dust specific to certain sites should be applied to more accurately apportion road dust source contributing to the ambient particulate matter. Size and chemical characteristics of fine road dust at sites having distinct urban characteristics were examined. Residential coal and biomass burning and traffic affected physiochemical properties of the fine road dust. Different road dust profiles at different sites should be needed to determine the ambient PM2.5 sources more accurately.

Characterization and characteristics of degradable polymer sacks

International Nuclear Information System (INIS)

Davis, Georgina

2003-01-01

This paper reviews the categories and characteristics of degradable polymers used to manufacture sacks for the collection and subsequent treatment of organic wastes from householders. The characteristics of polyethylene (PE) and starch-based sacks were examined using a number of different methods, including scanning electron microscopy (SEM), chemical analysis and mechanical strength testing of the sacks during their use. The analyses revealed that the characteristics of the PE and starch-based sacks were very different. Photomicrographs indicated that the surface of the PE sack was much smoother than the surface of the starch-based sacks. Polyethylene sacks exhibited a greater mechanical strength, both in the unused state and over time during householder use. The severe loss of mechanical strength during use of the starch-based sacks indicated that only thicker gauge sacks were suitable for the fortnightly kerbside collection of biodegradable municipal waste (BMW). Chemical analysis of two different PE sacks indicated that transition metals and other elements were commonly incorporated into the PE structure in order to facilitate increased polymer degradation

Characteristics of electron-ion whistlers and their application to ionospheric probing

International Nuclear Information System (INIS)

Singh, S.N.; Tiwari, S.; Tolpadi, S.K.

1976-01-01

In this communication the effect of ion temperature on the propagation of electron-ion whistlers in the ionosphere is investigated. A general expression including the effect of ion temperature is derived for the group travel time for the electron-ion whistler as it travels from the base of the ionosphere to the satellite. A study of the dependence of the group travel time for the proton whislters. Further, from the expression for the group travel time including the effect of the ion temperature in conjunction with the generalized dispersion relation a relation for the cyclotron damping rate (both temporal and spatial) has been obtained. A detailed study if the cyclotron damping rate with travel time and ion temperature leads to the conclusion that the observed amplitude cutoff characteristics for the proton whistler can be explained on the basis of the mechanism of cyclotron damping. It is also shown that the knowledge of the group travel time of an electron-ion whistler can be used to estimate the ion temperature at the satellite

Three-input gate logic circuits on chemically assembled single-electron transistors with organic and inorganic hybrid passivation layers.

Science.gov (United States)

Majima, Yutaka; Hackenberger, Guillaume; Azuma, Yasuo; Kano, Shinya; Matsuzaki, Kosuke; Susaki, Tomofumi; Sakamoto, Masanori; Teranishi, Toshiharu

2017-01-01

Single-electron transistors (SETs) are sub-10-nm scale electronic devices based on conductive Coulomb islands sandwiched between double-barrier tunneling barriers. Chemically assembled SETs with alkanethiol-protected Au nanoparticles show highly stable Coulomb diamonds and two-input logic operations. The combination of bottom-up and top-down processes used to form the passivation layer is vital for realizing multi-gate chemically assembled SET circuits, as this combination enables us to connect conventional complementary metal oxide semiconductor (CMOS) technologies via planar processes. Here, three-input gate exclusive-OR (XOR) logic operations are demonstrated in passivated chemically assembled SETs. The passivation layer is a hybrid bilayer of self-assembled monolayers (SAMs) and pulsed laser deposited (PLD) aluminum oxide (AlO[Formula: see text]), and top-gate electrodes were prepared on the hybrid passivation layers. Top and two-side-gated SETs showed clear Coulomb oscillation and diamonds for each of the three available gates, and three-input gate XOR logic operation was clearly demonstrated. These results show the potential of chemically assembled SETs to work as logic devices with multi-gate inputs using organic and inorganic hybrid passivation layers.

[Chemical characteristics of precipitation in South China Sea].

Science.gov (United States)

Xiao, Hong-Wei; Long, Ai-Min; Xie, Lu-Hua; Xiao, Hua-Yun; Liu, Cong-Qiang

2014-02-01

Rainwater samples were collected in the summer on "Shiyan 3" during the 2012 South China Sea Sectional Scientific Survey. The concentrations of anion and cation, and pH in precipitation were determined and backward trajectories of air mass were simulated to analyze the chemical characteristics of ions and examine the source of ions. The results indicated that the mean pH value of precipitation was 6.3, with 5.6 of minimal value in summer in South China Sea. The order of anion and cation abundance was Cl(-) > S04(2-) > NO3(-) and Na(+) > Mg(2+) > Ca(2+) > K(+). Cl(-) was the major anion and Na(+) was the major cation, with concentrations of 2 637.5 microeq x L(-1) and 2095.5 microeq x L(-1), respectively, showing that they were the characteristics of marine atmospheric precipitation. There was a good linear relationship between each pair of 7 ions, with correlation coefficient above 0.9, suggesting that they may have a common source. However, the correlation coefficients were lower between NO3(-) and other ions than the others, suggesting that NO3(-) had more complex sources. The concentrations of Ca(2+) and K(+) in precipitation may be related to coral environment in South China Sea. The backward trajectories in 6 stations showed that the air mass was from south and southwest of South China Sea, without passing through above the continent. These results suggested that precipitation affected by human ion source can be ignored in summer in South China Sea.

Simultaneous Scanning Electron Microscope Imaging of Topographical and Chemical Contrast Using In-Lens, In-Column, and Everhart-Thornley Detector Systems.

Science.gov (United States)

Zhang, Xinming; Cen, Xi; Ravichandran, Rijuta; Hughes, Lauren A; van Benthem, Klaus

2016-06-01

The scanning electron microscope provides a platform for subnanometer resolution characterization of material morphology with excellent topographic and chemical contrast dependent on the used detectors. For imaging applications, the predominantly utilized signals are secondary electrons (SEs) and backscattered electrons (BSEs) that are emitted from the sample surface. Recent advances in detector technology beyond the traditional Everhart-Thornley geometry have enabled the simultaneous acquisition and discrimination of SE and BSE signals. This study demonstrates the imaging capabilities of a recently introduced new detector system that consists of the combination of two in-lens (I-L) detectors and one in-column (I-C) detector. Coupled with biasing the sample stage to reduce electron-specimen interaction volumes, this trinity of detector geometry allows simultaneous acquisition of signals to distinguish chemical contrast from topographical changes of the sample, including the identification of surface contamination. The I-C detector provides 4× improved topography, whereas the I-L detector closest to the sample offers excellent simultaneous chemical contrast imaging while not limiting the minimization of working distance to obtain optimal lateral resolution. Imaging capabilities and contrast mechanisms for all three detectors are discussed quantitatively in direct comparison to each other and the conventional Everhart-Thornley detector.

Metal centre effects on HNO binding in porphyrins and the electronic origin: metal's electronic configuration, position in the periodic table, and oxidation state.

Science.gov (United States)

Yang, Liu; Fang, Weihai; Zhang, Yong

2012-04-21

HNO binds to many different metals in organometallic and bioinorganic chemistry. To help understand experimentally observed metal centre effects, a quantum chemical investigation was performed, revealing clear general binding trends with respect to metal centre characteristics and the electronic origin for the first time. This journal is © The Royal Society of Chemistry 2012

Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3

Science.gov (United States)

Khaikin, L. S.; Tikhonov, D. S.; Grikina, O. E.; Rykov, A. N.; Stepanov, N. F.

2014-05-01

The equilibrium molecular structure of 2-methyl-1,4-naphthoquinone (vitamin K3) having C s symmetry is experimentally characterized for the first time by means of gas-phase electron diffraction using quantum-chemical calculations and data on the vibrational spectra of related compounds.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: the influence of zeolite chemical surface characteristics.

Science.gov (United States)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A

2014-06-15

In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity. Copyright © 2014 Elsevier B.V. All rights reserved.

Electron attenuation characteristics of LiF

Energy Technology Data Exchange (ETDEWEB)

Paliwal, B R [Wisconsin Univ., Madison (USA). Div. of Clinical Oncology; Almond, P R

1976-08-01

The results of a study, indicating the exponential nature of the attenuation of electrons in LiF, are reported. This conclusion holds good not only for the monoenergetic electrons obtained from several pure ..beta.. emitters but also for the high energy electron beams delivered by radiotherapy facilities.

Effect of textural and chemical characteristics of activated carbons on phenol adsorption in aqueous solutions

Directory of Open Access Journals (Sweden)

Vargas Diana P.

2017-12-01

Full Text Available The effect of textural and chemical properties such as: surface area, pore volume and chemical groups content of the granular activated carbon and monoliths on phenol adsorption in aqueous solutions was studied. Granular activated carbon and monolith samples were produced by chemical activation. They were characterized by using N2 adsorption at 77 K, CO2 adsorption at 273 K, Boehm Titrations and immersion calorimetry in phenol solutions. Microporous materials with different pore size distribution, surface area between 516 and 1685 m2 g−1 and pore volumes between 0.24 and 0.58 cm3 g−1 were obtained. Phenol adsorption capacity of the activated carbon materials increased with increasing BET surface area and pore volume, and is favored by their surface functional groups that act as electron donors. Phenol adsorption capacities are in ranged between 73.5 and 389.4 mg · g−1.

Ultrafast chemical interface scattering as an additional decay channel for nascent nonthermal electrons in small metal nanoparticles.

Science.gov (United States)

Bauer, Christophe; Abid, Jean-Pierre; Fermin, David; Girault, Hubert H

2004-05-15

The use of 4.2 nm gold nanoparticles wrapped in an adsorbates shell and embedded in a TiO2 metal oxide matrix gives the opportunity to investigate ultrafast electron-electron scattering dynamics in combination with electronic surface phenomena via the surface plasmon lifetimes. These gold nanoparticles (NPs) exhibit a large nonclassical broadening of the surface plasmon band, which is attributed to a chemical interface damping. The acceleration of the loss of surface plasmon phase coherence indicates that the energy and the momentum of the collective electrons can be dissipated into electronic affinity levels of adsorbates. As a result of the preparation process, gold NPs are wrapped in a shell of sulfate compounds that gives rise to a large density of interfacial molecules confined between Au and TiO2, as revealed by Fourier-transform-infrared spectroscopy. A detailed analysis of the transient absorption spectra obtained by broadband femtosecond transient absorption spectroscopy allows separating electron-electron and electron-phonon interaction. Internal thermalization times (electron-electron scattering) are determined by probing the decay of nascent nonthermal electrons (NNEs) and the build-up of the Fermi-Dirac electron distribution, giving time constants of 540 to 760 fs at 0.42 and 0.34 eV from the Fermi level, respectively. Comparison with literature data reveals that lifetimes of NNEs measured for these small gold NPs are more than four times longer than for silver NPs with similar sizes. The surprisingly long internal thermalization time is attributed to an additional decay mechanism (besides the classical e-e scattering) for the energy loss of NNEs, identified as the ultrafast chemical interface scattering process. NNEs experience an inelastic resonant scattering process into unoccupied electronic states of adsorbates, that directly act as an efficient heat bath, via the excitation of molecular vibrational modes. The two-temperature model is no longer

Characterization of Si:O:C:H films fabricated using electron emission enhanced chemical vapour deposition

Energy Technology Data Exchange (ETDEWEB)

Durrant, Steven F. [Laboratorio de Plasmas Tecnologicos, Campus Experimental de Sorocaba, Universidade Estadual Paulista-UNESP, Avenida Tres de Marco, 511, Alto da Boa Vista, 18087-180, Soracaba, SP (Brazil)], E-mail: steve@sorocaba.unesp.br; Rouxinol, Francisco P.M.; Gelamo, Rogerio V. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil); Trasferetti, B. Claudio [Present address: Superintendencia Regional da Policia Federal em Sao Paulo, Setor Tecnico-Cientifico, Rua Hugo d' Antola 95/10o Andar, Lapa de Baixo, 05038-090 Sao Paulo, SP (Brazil); Davanzo, C.U. [Instituto de Quimica, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil); Bica de Moraes, Mario A. [Instituto de Fisica Gleb Wataghin, Universidade Estadual de Campinas, 13083-970, Campinas, SP (Brazil)

2008-01-15

Silicon-based polymers and oxides may be formed when vapours of oxygen-containing organosilicone compounds are exposed to energetic electrons drawn from a hot filament by a bias potential applied to a second electrode in a controlled atmosphere in a vacuum chamber. As little deposition occurs in the absence of the bias potential, electron impact fragmentation is the key mechanism in film fabrication using electron-emission enhanced chemical vapour deposition (EEECVD). The feasibility of depositing amorphous hydrogenated carbon films also containing silicon from plasmas of tetramethylsilane or hexamethyldisiloxane has already been shown. In this work, we report the deposition of diverse films from plasmas of tetraethoxysilane (TEOS)-argon mixtures and the characterization of the materials obtained. The effects of changes in the substrate holder bias (V{sub S}) and of the proportion of TEOS in the mixture (X{sub T}) on the chemical structure of the films are examined by infrared-reflection absorption spectroscopy (IRRAS) at near-normal and oblique incidence using unpolarised and p-polarised, light, respectively. The latter is particularly useful in detecting vibrational modes not observed when using conventional near-normal incidence. Elemental analyses of the film were carried out by X-ray photoelectron spectroscopy (XPS), which was also useful in complementary structural investigations. In addition, the dependencies of the deposition rate on V{sub S} and X{sub T} are presented.

Characterization of Si:O:C:H films fabricated using electron emission enhanced chemical vapour deposition

International Nuclear Information System (INIS)

Durrant, Steven F.; Rouxinol, Francisco P.M.; Gelamo, Rogerio V.; Trasferetti, B. Claudio; Davanzo, C.U.; Bica de Moraes, Mario A.

2008-01-01

Silicon-based polymers and oxides may be formed when vapours of oxygen-containing organosilicone compounds are exposed to energetic electrons drawn from a hot filament by a bias potential applied to a second electrode in a controlled atmosphere in a vacuum chamber. As little deposition occurs in the absence of the bias potential, electron impact fragmentation is the key mechanism in film fabrication using electron-emission enhanced chemical vapour deposition (EEECVD). The feasibility of depositing amorphous hydrogenated carbon films also containing silicon from plasmas of tetramethylsilane or hexamethyldisiloxane has already been shown. In this work, we report the deposition of diverse films from plasmas of tetraethoxysilane (TEOS)-argon mixtures and the characterization of the materials obtained. The effects of changes in the substrate holder bias (V S ) and of the proportion of TEOS in the mixture (X T ) on the chemical structure of the films are examined by infrared-reflection absorption spectroscopy (IRRAS) at near-normal and oblique incidence using unpolarised and p-polarised, light, respectively. The latter is particularly useful in detecting vibrational modes not observed when using conventional near-normal incidence. Elemental analyses of the film were carried out by X-ray photoelectron spectroscopy (XPS), which was also useful in complementary structural investigations. In addition, the dependencies of the deposition rate on V S and X T are presented

Relationship between electronic structure and radioprotective activity of some indazoles

International Nuclear Information System (INIS)

Sokolov, Yu.A.

2000-01-01

The quantum-chemical study of electronic structure of 29 indasoles with complete optimization of geometry and search of quantitative link between the established characteristics and radioprotective activity (RPA) was carried out through the MNDO method with application of multiple linear and nonlinear regression analysis and the basic component method. The equations of correlation relationship between the RPA and electronic characteristics are presented. 10 indasole structures, the forecasted RPA values whereof (survival rate, %) equal 50% and above, are selected. The statistic significance of the obtained correlation equations and their regression coefficients make it possible to conclude, that the established relationships are not accidental and are prospective for forecasting RPA of other close compounds of the indasole series [ru

Reflow process stabilization by chemical characteristics and process conditions

Science.gov (United States)

Kim, Myoung-Soo; Park, Jeong-Hyun; Kim, Hak-Joon; Kim, Il-Hyung; Jeon, Jae-Ha; Gil, Myung-Goon; Kim, Bong-Ho

2002-07-01

With the shrunken device rule below 130nm, the patterning of smaller contact hole with enough process margin is required for mass production. Therefore, shrinking technology using thermal reflow process has been applied for smaller contact hole formation. In this paper, we have investigated the effects of chemical characteristics such as molecular weight, blocking ratio of resin, cross-linker amount and solvent type with its composition to reflow process of resist and found the optimized chemical composition for reflow process applicable condition. And several process conditions like resist coating thickness and multi-step thermal reflow method have been also evaluated to stabilize the pattern profile and improve CD uniformity after reflow process. From the experiment results, it was confirmed that the effect of crosslinker in resist to reflow properties such as reflow temperature and reflow rate were very critical and it controlled the pattern profile during reflow processing. And also, it showed stable CD uniformity and improved resist properties for top loss, film shrinkage and etch selectivity. The application of lower coating thickness of resist induced symmetric pattern profile even at edge with wider process margin. The introduction of two-step baking method for reflow process showed uniform CD value, also. It is believed that the application of resist containing crosslinker and optimized process conditions for smaller contact hole patterning is necessary for the mass production with a design rule below 130nm.

Influence of chemical disorder on the electronic level spacing distribution of the Ag{sub 5083} nanoparticle: A tight-binding study

Energy Technology Data Exchange (ETDEWEB)

Medrano, L.R., E-mail: leonardoms20@gmail.com [Faculty of Physical Sciences, National University of San Marcos, P.O. Box 14-0149, Lima 14 (Peru); Landauro, C.V., E-mail: clandauros@unmsm.edu.pe [Faculty of Physical Sciences, National University of San Marcos, P.O. Box 14-0149, Lima 14 (Peru)

2013-03-01

In the present work we study, employing a tight-binding Hamiltonian, the influence of chemical disorder on the electronic level spacing distribution of a silver nanoparticle containing 5083 atoms (∼ 5.5 nm). This nanoparticle was obtained by molecular dynamics simulations with a tight-binding atomic potential. The results indicate that in the absence of disorder the level spacing distributions are similar to those expected for systems belonging to the Gaussian Orthogonal Ensemble. Whereas, after increasing the chemical disorder, the electronic level spacing distribution and the Σ{sub 2} statistics tend to the corresponding form for the Poisson Ensemble, i.e., the silver nanoparticle acquires an insulating character which is expected for strongly disordered systems. Hence, this kind of disorder produces the localization of the electronic states of the nanoparticle.

The effect of chemical modification on the physico-chemical characteristics of halloysite: FTIR, XRF, and XRD studies

Science.gov (United States)

Szczepanik, Beata; Słomkiewicz, Piotr; Garnuszek, Magdalena; Czech, Kamil; Banaś, Dariusz; Kubala-Kukuś, Aldona; Stabrawa, Ilona

2015-03-01

The effect of chemical modification of halloysite from a Polish strip mine "Dunino" on the chemical composition and structure of this clay mineral was studied using infrared spectroscopy (ATR FT-IR), wavelength dispersive X-ray fluorescence (WDXRF), and X-ray powder diffraction (XRPD) methods. The results obtained by the WDXRF technique confirm that the content of silica and alumina was the highest for bleached halloysite samples and the lowest for acid-treated halloysite. A higher content of Fe2O3 in comparison to halloysite samples coming from other countries was observed for raw halloysite samples. XRPD diffraction pattern obtained for raw halloysite confirmed the presence of halloysite, kaolinite, hematite, and calcite minerals in the sample. Bleaching the halloysite removes (or significantly reduces) the content of other minerals present in the raw halloysite. The FT-IR spectra of the studied halloysite samples show in the 3700-3600 cm-1 region well-defined hydroxyl stretching bands characteristic for the kaolin-group minerals and bands associated with the vibrations of the aluminium-silicon skeleton in the 1400-1000 cm-1 region. Modifying halloysite with 4-chloro-aniline causes successive incorporation of amine into the BH sample.

Theoretical progress in studying the characteristic x-ray emission from heavy few-electron ions

International Nuclear Information System (INIS)

Surzhykov, Andrey; Stohlker, Thomas; Fritzsche, Stephan; Kabachnik, Nikolai M

2009-01-01

Recent theoretical progress in the study of the x-ray characteristic emission from highly-charged, few-electron ions is reviewed. These investigations show that the bound-state radiative transitions in high-Z ions provide a unique tool for better understanding the interplay between the structural and dynamical properties of heavy ions. In order to illustrate such an interplay, detailed calculations are presented for the K α1 decay of the helium-like uranium ions U 90+ following radiative electron capture, Coulomb excitation and dielectronic recombination processes.

Microbiological and physical-chemical characteristics of honeys from the bee Melipona fasciculata produced in two regions of Brazil

Directory of Open Access Journals (Sweden)

Rachel Torquato Fernandes

2018-05-01

Full Text Available ABSTRACT: The honey from Tiúba bees (Melipona fasciculata is commercially important in the Brazilian state of Maranhão. However, the absence of any specific legislation for this kind of honey is an obstacle to its increased production and commercialization. Determining the microbiological and physical-chemical characteristics of different Tiúba honey can inform the elaboration of specific legislation. Thus, honey samples from two Water Catchment Areas in Maranhão (Munim and Pericumã, sample size 20 for each were collected and submitted for microbiological analysis (total coliforms, thermotolerant coliforms, molds and yeasts, Clostridium sulfite reducers and Salmonella sp. and physical-chemical analysis (moisture content, reducing and non-reducing sugars, insoluble and soluble solids, ash content, acidity and pH. Most of honeys sampled were suitable for human consumption, except for one sample from Pericumã. Honeys from the two water catchment areas presented differences in some physicochemical characteristics, which can be attributed to the botanic, soil and climatic diversity of the two areas. Still, these Tiúba honey samples did not fall within the Brazilian legislation for Apis mellifera honey for some of the physical-chemical characteristics, and so is not properly regulated, thus reinforcing the need for specific legislation for this type of honey.

Amplitude-temporal characteristics of a supershort avalanche electron beam generated during subnanosecond breakdown in air and nitrogen

Science.gov (United States)

Tarasenko, V. F.; Baksht, E. Kh.; Beloplotov, D. V.; Burachenko, A. G.; Lomaev, M. I.

2016-04-01

The amplitude-temporal characteristics of a supershort avalanche electron beam (SAEB) with an amplitude of up to 100 A, as well as of the breakdown voltage and discharge current, are studied experimentally with a picosecond time resolution. The waveforms of discharge and SAEB currents are synchronized with those of the voltage pulses. It is shown that the amplitude-temporal characteristics of the SAEB depend on the gap length and the designs of the gas diode and cathode. The mechanism for the generation of runaway electron beams in atmospheric-pressure gases is analyzed on the basis of the obtained experimental data.

Amplitude−temporal characteristics of a supershort avalanche electron beam generated during subnanosecond breakdown in air and nitrogen

Energy Technology Data Exchange (ETDEWEB)

Tarasenko, V. F., E-mail: vft@loi.hcei.tsc.ru; Baksht, E. Kh.; Beloplotov, D. V.; Burachenko, A. G.; Lomaev, M. I. [Siberian Branch, Russian Academy of Sciences, Institute of High Current Electronics (Russian Federation)

2016-04-15

The amplitude−temporal characteristics of a supershort avalanche electron beam (SAEB) with an amplitude of up to 100 A, as well as of the breakdown voltage and discharge current, are studied experimentally with a picosecond time resolution. The waveforms of discharge and SAEB currents are synchronized with those of the voltage pulses. It is shown that the amplitude−temporal characteristics of the SAEB depend on the gap length and the designs of the gas diode and cathode. The mechanism for the generation of runaway electron beams in atmospheric-pressure gases is analyzed on the basis of the obtained experimental data.

Effect of electron beam on the microbiological and sensory characteristics of squid jeotkal and its ingredients

International Nuclear Information System (INIS)

Liu Xiande; Piao Linghua

2012-01-01

A seasoned squid Jeotkal, Koran traditional fermented seafood, and its ingredients for manufacturing, including red hot pepper powder and ground garlic were irradiated by 0, 0.5, 1, 2 and 5 kGy electron beam and stored at 4 ℃ for 4 weeks to determine the changes of microorganisms and sensory characteristics. The initial contamination of squid Jeotkal such as total aerobic bacteria, yeast and mold, and coliform bacterial were at the levels of 2.88, 3.04 and 4.20 logCFU/g, respectively. However, 5 kGy electron beam irradiation reduced the total aerobic bacteria about 1 logCFU/g. Yeast and mold and coliform bacterial were reduced 1 ∼ 2 logCFU/g after 2 kGy irradiation and reached to undetected level when the sample was irradiated at 5 kGy and following storage at 4 ℃ for 4 weeks. Sensory characteristics showed that 5 kGy electron beam irradiation did not adversely affect overall acceptability of squid Jeotkal and its ingredients during 4 ℃ storage. Therefore, electron beam irradiation is one of the possible methods to improve storage stability of seasoned squid Jeotkal. (authors)

Donor–Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties

KAUST Repository

Pandey, Laxman

2012-08-28

We systematically investigate at the density functional theory level how changes to the chemical structure of donor-acceptor copolymers used in a number of organic electronics applications influences the intrinsic geometric, electronic, and optical properties. We consider the combination of two distinct donors, where a central five-membered ring is fused on both sides by either a thiophene or a benzene ring, with 12 different acceptors linked to the donor either directly or through thienyl linkages. The interplay between the electron richness/deficiency of the subunits as well as the evolution of the frontier electronic levels of the isolated donors/acceptors plays a significant role in determining the electronic and optical properties of the copolymers. © 2012 American Chemical Society.

Study of Textile Surface Characteristic Modification by Using Electron Beam Radiation

International Nuclear Information System (INIS)

Iswani Gitawati; Rany Saptaaji

2007-01-01

The success of accelerator technology application in various field of industry, medical and pharmacy, environment, agricultural, food increase each year as the increasing of people needs, not excepted for surface treatment of fibers and textiles in textile industry. This writing aim is to asses the application of electron beam accelerator for textile surface treatment on finishing step. Surface treatment was done with electron beam low energy (100 - 500 keV), and because of its low penetration it was suitable used to gain the improvement of chemical, physical and mechanical properties of textile surface such as adhesion, wettability, printability, dyes-intake, crease recovery, wrinkle-resistance, flammability, abrasion resistance, soil and stain release to get better result. Modification of fibers and textiles surface properties on finishing process can be caused by crosslinking, grafting and degradation reactions. The assesment results showed that the greatest impact on commercial application of radiation in textiles were crease recovery and surface modification of wetting properties (soil and stain release). The radiation dose used for those purposes were 5 - 50 kGy. The bach process of graft textiles surface modification before and after irradiation by Co-60 source (gamma energies of 1.33 and 1.17 MeV) and continue process by electron beam were presented. The assesment results were reported in this paper. (author)

Research on fault characteristics about switching component failures for distribution electronic power transformers

Science.gov (United States)

Sang, Z. X.; Huang, J. Q.; Yan, J.; Du, Z.; Xu, Q. S.; Lei, H.; Zhou, S. X.; Wang, S. C.

2017-11-01

The protection is an essential part for power device, especially for those in power grid, as the failure may cost great losses to the society. A study on the voltage and current abnormality in the power electronic devices in Distribution Electronic Power Transformer (D-EPT) during the failures on switching components is presented, as well as the operational principles for 10 kV rectifier, 10 kV/400 V DC-DC converter and 400 V inverter in D-EPT. Derived from the discussion on the effects of voltage and current distortion, the fault characteristics as well as a fault diagnosis method for D-EPT are introduced.

Effect of Autoclave Cycles on Surface Characteristics of S-File Evaluated by Scanning Electron Microscopy

OpenAIRE

Razavian, Hamid; Iranmanesh, Pedram; Mojtahedi, Hamid; Nazeri, Rahman

2015-01-01

Introduction: Presence of surface defects in endodontic instruments can lead to unwanted complications such as instrument fracture and incomplete preparation of the canal. The current study was conducted to evaluate the effect of autoclave cycles on surface characteristics of S-File by scanning electron microscopy (SEM). Methods and Materials: In this experimental study, 17 brand new S-Files (#30) were used. The surface characteristics of the files were examined in four steps (without autocla...

Electronic technology

International Nuclear Information System (INIS)

Kim, Jin Su

2010-07-01

This book is composed of five chapters, which introduces electronic technology about understanding of electronic, electronic component, radio, electronic application, communication technology, semiconductor on its basic, free electron and hole, intrinsic semiconductor and semiconductor element, Diode such as PN junction diode, characteristic of junction diode, rectifier circuit and smoothing circuit, transistor on structure of transistor, characteristic of transistor and common emitter circuit, electronic application about electronic equipment, communication technology and education, robot technology and high electronic technology.

Alloying effect on the electronic structures of hydrogen storage compounds

Energy Technology Data Exchange (ETDEWEB)

Yukawa, H.; Moringa, M.; Takahashi, Y. [Nagoya Univ. (Japan). Dept. of Mater. Sci. and Eng.

1997-05-20

The electronic structures of hydrogenated LaNi{sub 5} containing various 3d transition elements were investigated by the DV-X{alpha} molecular orbital method. The hydrogen atom was found to form a strong chemical bond with the Ni rather than the La atoms. The alloying modified the chemical bond strengths between atoms in a small metal octahedron containing a hydrogen atom at the center, resulting in the change in the hydrogen absorption and desorption characteristics of LaNi{sub 5} with alloying. (orig.) 7 refs.

Atmospheric pressure chemical vapor deposition (APCVD) grown bi-layer graphene transistor characteristics at high temperature

KAUST Repository

Qaisi, Ramy M.; Smith, Casey; Hussain, Muhammad Mustafa

2014-01-01

We report the characteristics of atmospheric chemical vapor deposition grown bilayer graphene transistors fabricated on ultra-scaled (10 nm) high-κ dielectric aluminum oxide (Al2O3) at elevated temperatures. We observed that the drive current increased by >400% as temperature increased from room temperature to 250 °C. Low gate leakage was maintained for prolonged exposure at 100 °C but increased significantly at temperatures >200 °C. These results provide important insights for considering chemical vapor deposition graphene on aluminum oxide for high temperature applications where low power and high frequency operation are required. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atmospheric pressure chemical vapor deposition (APCVD) grown bi-layer graphene transistor characteristics at high temperature

KAUST Repository

Qaisi, Ramy M.

2014-05-15

We report the characteristics of atmospheric chemical vapor deposition grown bilayer graphene transistors fabricated on ultra-scaled (10 nm) high-κ dielectric aluminum oxide (Al2O3) at elevated temperatures. We observed that the drive current increased by >400% as temperature increased from room temperature to 250 °C. Low gate leakage was maintained for prolonged exposure at 100 °C but increased significantly at temperatures >200 °C. These results provide important insights for considering chemical vapor deposition graphene on aluminum oxide for high temperature applications where low power and high frequency operation are required. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A systematic review of the physical and chemical characteristics of pollutants from biomass burning and combustion of fossil fuels and health effects in Brazil

Directory of Open Access Journals (Sweden)

Beatriz Fátima Alves de Oliveira

2011-09-01

Full Text Available The aim of this study was to carry out a review of scientific literature published in Brazil between 2000 and 2009 on the characteristics of air pollutants from different emission sources, especially particulate matter (PM and its effects on respiratory health. Using electronic databases, a systematic literature review was performed of all research related to air pollutant emissions. Publications were analyzed to identify the physical and chemical characteristics of pollutants from different emission sources and their related effects on the respiratory system. The PM2.5 is composed predominantly of organic compounds with 20% of inorganic elements. Higher concentrations of metals were detected in metropolitan areas than in biomass burning regions. The relative risk of hospital admissions due to respiratory diseases in children was higher than in the elderly population. The results of studies of health effects of air pollution are specific to the region where the emissions occurred and should not be used to depict the situation in other areas with different emission sources.

Hydride, hydrogen, proton, and electron affinities of imines and their reaction intermediates in acetonitrile and construction of thermodynamic characteristic graphs (TCGs) of imines as a "molecule ID card".

Science.gov (United States)

Zhu, Xiao-Qing; Liu, Qiao-Yun; Chen, Qiang; Mei, Lian-Rui

2010-02-05

A series of 61 imines with various typical structures were synthesized, and the thermodynamic affinities (defined as enthalpy changes or redox potentials in this work) of the imines to abstract hydride anions, hydrogen atoms, and electrons, the thermodynamic affinities of the radical anions of the imines to abstract hydrogen atoms and protons, and the thermodynamic affinities of the hydrogen adducts of the imines to abstract electrons in acetonitrile were determined by using titration calorimetry and electrochemical methods. The pure heterolytic and homolytic dissociation energies of the C=N pi-bond in the imines were estimated. The polarity of the C=N double bond in the imines was examined using a linear free-energy relationship. The idea of a thermodynamic characteristic graph (TCG) of imines as an efficient "Molecule ID Card" was introduced. The TCG can be used to quantitatively diagnose and predict the characteristic chemical properties of imines and their various reaction intermediates as well as the reduction mechanism of the imines. The information disclosed in this work could not only supply a gap of thermodynamics for the chemistry of imines but also strongly promote the fast development of the applications of imines.

Theoretical study of relativistic effects in the electronic structure and chemical bonding of UF6

International Nuclear Information System (INIS)

Onoe, Jun; Takeuchi, Kazuo; Sekine, Rika; Nakamatsu, Hirohide; Mukoyama, Takeshi; Adachi, Hirohiko.

1992-01-01

We have performed the relativistic molecular orbital calculation for the ground state of UF 6 , using the discrete-variational Dirac-Slater method (DV-DS), in order to elucidate the relativistic effects in the electronic structure and chemical bonding. Compared with the electronic structure calculated by the non-relativistic Hartree-Fock-Slater (DV-X α )MO method, not only the direct relativistic effects (spin-orbit splitting etc), but also the indirect effect due to the change in screening core potential charge are shown to be important in the MO level structure. From the U-F bond overlap population analysis, we found that the U-F bond formation can be explained only by the DV-DS, not by the DV-X α . The calculated electronic structure in valence energy region (-20-OeV) and excitation energies in UV region are in agreement with experiments. (author)

Atmospheric-pressure electric discharge as an instrument of chemical activation of water solutions

Science.gov (United States)

Rybkin, V. V.; Shutov, D. A.

2017-11-01

Results of experimental studies and numerical simulations of physicochemical characteristics of plasmas generated in different types of atmospheric-pressure discharges (pulsed streamer corona, gliding electric arc, dielectric barrier discharge, glow-discharge electrolysis, diaphragmatic discharge, and dc glow discharge) used to initiate various chemical processes in water solutions are analyzed. Typical reactor designs are considered. Data on the power supply characteristics, plasma electron parameters, gas temperatures, and densities of active particles in different types of discharges excited in different gases and their dependences on the external parameters of discharges are presented. The chemical composition of active particles formed in water is described. Possible mechanisms of production and loss of plasma particles are discussed.

Time evolution of the characteristic electron energy losses spectra of the electrons scattered on polycrystal samples of Al mechanically cleaned in vacuum

International Nuclear Information System (INIS)

Szczesny, R.; Baranowski, A.; Beliczynski, J.

1982-01-01

Measurements by the reflection technique of characteristic electron energy losses (CEEL) with a primary electron beam of energy E 0 =1 keV have been carried out on polycrystal samples of Al. The sample surfaces have been mechanically cleaned in a dinamical vacuum of the order 10 -6 Tr before each measurement. The CEEL spectra have been corrected for the resolving power of the apparatus by the deconvolution method. We have ascertained that the measuring technique and elaboration data method are useful for quickly obtaining the plasmon energy loss spectrum for an investigated material. (author)

Chemical characteristics of grape juices from different cultivar and rootstock combinations

Directory of Open Access Journals (Sweden)

Rita de Cássia Mirela Resende Nassur

2014-07-01

Full Text Available The objective of this work was to evaluate the influence of different combinations of grape cultivars and rootstocks on chemical characteristics of grape juices. Six treatments were evaluated, consisting of combinations between the Isabel Precoce and BRS Cora grape cultivars and the 'IAC 766', 'IAC 313', and 'IAC 572' rootstocks. Approximately 10 L of juice were obtained per treatment. Analyses of color, total soluble solids content, pH, anthocyanins, total phenolics, total sugars, and quantification and identification of biogenic amines by HPLC were performed. Biogenic amines, such as putrescine, cadaverine, spermidine, and spermine, were found in all evaluated cultivars. By principal component analysis (PCA, treatments can be divided into two groups, according to the cultivar. Juices obtained from 'Isabel Precoce' are characterized by higher levels of total sugar content and soluble solids; however, juices from 'BRS Cora' are positively correlated with phenolic content, anthocyanins, and color and acidity parameters. The differences found by PCA for juices from the Isabel Precoce and BRS Cora cultivars indicate that, regardless of the rootstock used, the most important factor in the chemical characterization of juices is the grape cultivar.

Mineralogical-Chemical Characteristics of Calcite from Zletovo, Sasa and Buchim Deposits

International Nuclear Information System (INIS)

Shijakova-lvanova, Tena; Paneva-Zajkova, Vesna; Donova, Ilinka

2006-01-01

The paper presents mineralogical-chemical characteristics, dependence between some elements and concentration of some calcite elements of Zletovo, Sasa and Buchim deposits. Calcite from Sasa, Zletovo and Buchim occurs in rhombohedral crystals of different size. The colour is white, but in Buchim it is white, pink, and yellow. Their twinning is very common. Chemical composition of calcite was determined by AES-ICP. Results show that in calcite from Buchim the concentration of Ba is much higher in pink calcite from than in white or yellow. The concentration of Zn and Ph is the lowest in white calcite. The calcite from Zletovo contains much higher concentrations of Pb, Zn, Sr, but calcite of Buchim which is pink contains higher amounts of Ba and Co. The concentrations of CaO, MgO, and MnO in all calcite simples are approximately equal. Concentration of all other elements in calcite of Sasa, Zletovo and Buchim is approximately equal. TG and DTA curves out on all simples were recorded.The decompositions of the samples of calcite starts at different temperature and it is not finish until 1000 o C. (Author)

Controlling “chemical nose” biosensor characteristics by modulating gold nanoparticle shape and concentration

Directory of Open Access Journals (Sweden)

Mohit S. Verma

2015-09-01

Full Text Available Conventional lock-and-key biosensors often only detect a single pathogen because they incorporate biomolecules with high specificity. “Chemical nose” biosensors are overcoming this limitation and identifying multiple pathogens simultaneously by obtaining a unique set of responses for each pathogen of interest, but the number of pathogens that can be distinguished is limited by the number of responses obtained. Herein, we use a gold nanoparticle-based “chemical nose” to show that changing the shapes of nanoparticles can increase the number of responses available for analysis and expand the types of bacteria that can be identified. Using four shapes of nanoparticles (nanospheres, nanostars, nanocubes, and nanorods, we demonstrate that each shape provides a unique set of responses in the presence of different bacteria, which can be exploited for enhanced specificity of the biosensor. Additionally, the concentration of nanoparticles controls the detection limit of the biosensor, where a lower concentration provides better detection limit. Thus, here we lay a foundation for designing “chemical nose” biosensors and controlling their characteristics using gold nanoparticle morphology and concentration. Keywords: Morphology, Color change, Staphylococcus aureus, Point-of-care, Nanocubes, Nanorods

Thermal Processing Alters the Chemical Quality and Sensory Characteristics of Sweetsop (Annona squamosa L.) and Soursop (Annona muricata L.) Pulp and Nectar.

Science.gov (United States)

Baskaran, Revathy; Ravi, Ramasamy; Rajarathnam, Somasundaram

2016-01-01

The objective of this study was to investigate the effect of thermal processing on the chemical quality and sensory characteristics of Annona squamosa L. and Annona muricata L. fruit pulps and nectar. The fruit pulps were pasteurized at 85 °C for 20 min and nectar prepared as per Food Safety and Standards Authority of India (FSSAI) specifications. The chemical composition of fresh and heated pulps of A. squamosa and A. muricata showed that compared to fresh, the chemical profile and sensory profile changed in heated samples and nectar. The free and bound phenolics of A. squamosa increased in heated pulp (127.61 to 217.22 mg/100 g and 150.34 to 239.74 mg/100 g, respectively), while in A. muricata, free phenolics increased very marginally from 31.73 to 33.74 mg/100 g and bound phenolics decreased from 111.11 to 86.91 mg/100 g. This increase in phenolic content may be attributed to the perception of bitterness and astringency in A. squamosa pulp on heating. In electronic tongue studies, principal component analysis (PCA) confirmed that the fresh and heated pulps had different scores, as indicated by sensory analysis using qualitative descriptive analysis (QDA). E-tongue analysis of samples discriminated the volatile compounds released from the heated A. squamosa and A. muricata fruit pulps and nectar in their respective PCA plots by forming different clusters. © 2015 Institute of Food Technologists®

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

Energy Technology Data Exchange (ETDEWEB)

Zhu, Menglong; Lyu, Lu [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Niu, Dongmei, E-mail: mayee@csu.edu.cn [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Zhang, Hong; Zhang, Yuhe; Liu, Peng [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Gao, Yongli, E-mail: ygao@pas.rochester.edu [Institute of Super-Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Hunan Key Laboratory for Super-Microstructure and Ultrafast Process, School of Physics and Electronics, Central South University, Changsha, Hunan 410083 (China); Department of Physics and Astronomy, University of Rochester, Rochester NY14627 (United States)

2017-04-30

Highlights: • Chemical reaction and band bending at the interface are confirmed by the UPS and XPS. • Co atoms mostly accumulate at or near the interface and penetration into sublayer is weak. • The electron and hole barriers are too high and interfacial buffer layer is needed for device design. - Abstract: Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

International Nuclear Information System (INIS)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-01-01

Highlights: • Chemical reaction and band bending at the interface are confirmed by the UPS and XPS. • Co atoms mostly accumulate at or near the interface and penetration into sublayer is weak. • The electron and hole barriers are too high and interfacial buffer layer is needed for device design. - Abstract: Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Mineralogic-chemical and physical characteristics of the mud in Ä°zmir (western Turkey): suitability for use in pelotherapy

Science.gov (United States)

Çelik Karakaya, Muazzez; Karakaya, Necati

2013-04-01

The study conducted on peloid used spas in İzmir city region (western part of Turkey) included the investigation of the mineralogical, physico-chemical and geochemical properties of the three types of peloid samples in order to assess the suitability of the material for healing- aesthetic-related purposes. In situ formed muds in lagoons near the Aegean Sea (named as first group) and inner swamp muds (second group) unprocessed and raw have been using therapy and thermal baths. Mud and hot springs at around the Aegean Sea have been popular since ancient times for the treatment of rheumatic diseases, musculoskeletal disorders in the region. The mineralogical characteristics of the thermal muds are in accordance with the geological origin of the material and water sources. Mineralogic composition, mineral content and morphologic properties of the samples were determined by X-ray diffraction (XRD) and scanning electron microscopy (SEM-EDS). Chemical composition of the muds and thermal waters were determined by ICP-EAS and ICP-MS. Both of the sediment is fine- to medium size-grained and composed mostly of clay minerals, partially quartz, feldspar, carbonates, and halite, and rarely gypsum. The mineralogic composition of the muds controls the physico-chemical properties of the muds. Anion e.g., Cl, Br, and SO4, contents the thermal waters of the first group is extremely different and so the springs contain a high level of sodium chloride, magnesium sulphate, and calcium bicarbonate. The water temperature is 45 oC with a pH of 6.95 and electrical conductivity (EC) is 4.5 mS/lt in the first group while 71 oC with a pH 6.58 and EC is 2.52 mS/lt in the second ones. However, major and some of the trace element concentration of the mud samples are nearly similar, As, Cd, Cu, Hg, Ni, Sb, Se, T and Zn content of the first group is exceptionally lower than the second ones. And the hazardous element concentrations are extremely higher than the pharmaceutical clay in the second

Application of ESCA spectroscopy to the study of electronic structure of high temperature superconductors

International Nuclear Information System (INIS)

Dagoury, G.

1988-01-01

Characteristics of high T c oxide superconductors are very sensitive to slight variation of chemical composition, ESCA spectroscopy is used for identification of YBaCuO superconductivity. Binding energy of the different electronic levels and structure of valence band are determined [fr

Probing Structural and Catalytic Characteristics of Galactose Oxidase Confined in Nanoscale Chemical Environments

DEFF Research Database (Denmark)

Ikemoto, Hideki; Mossin, Susanne; Ulstrup, Jens

2014-01-01

Galactose oxidase (GAOX) is a special metalloenzyme in terms of its active site structure and catalytic mechanisms. This work reports a study where the enzyme confined in a nanoscale chemical environment provided by mesoporous silicas (MPS) is probed. Two types of MPS, i.e. SBA-15 and MCF, were...... synthesized and used to accommodate GAOX. SBA-15-ROD is rod-shaped particles with periodically ordered nanopores (9.5 nm), while MCF has a mesocellular foam-like structure with randomly distributed pores (23 nm) interconnected by smaller windows (8.8 nm). GAOX is non-covalently confined in SBA-15- ROD, while...... it is covalently immobilized in MCF. Relatively high loadings in the range of 50–60 mg g1 are achieved. Electron spin resonance (ESR) spectroscopy is used to probe the active site structures of the enzyme. The similar ESR spectra observed for GAOX in the free and immobilized states support that the electronic...

A Novel Wearable Electronic Nose for Healthcare Based on Flexible Printed Chemical Sensor Array

Directory of Open Access Journals (Sweden)

Panida Lorwongtragool

2014-10-01

Full Text Available A novel wearable electronic nose for armpit odor analysis is proposed by using a low-cost chemical sensor array integrated in a ZigBee wireless communication system. We report the development of a carbon nanotubes (CNTs/polymer sensor array based on inkjet printing technology. With this technique both composite-like layer and actual composite film of CNTs/polymer were prepared as sensing layers for the chemical sensor array. The sensor array can response to a variety of complex odors and is installed in a prototype of wearable e-nose for monitoring the axillary odor released from human body. The wearable e-nose allows the classification of different armpit odors and the amount of the volatiles released as a function of level of skin hygiene upon different activities.

Ab initio study of electron-ion structure factors in binary liquids with different types of chemical bonding

International Nuclear Information System (INIS)

Klevets, Ivan; Bryk, Taras

2014-01-01

Electron-ion structure factors, calculated in ab initio molecular dynamics simulations, are reported for several binary liquids with different kinds of chemical bonding: metallic liquid alloy Bi–Pb, molten salt RbF, and liquid water. We derive analytical expressions for the long-wavelength asymptotes of the partial electron-ion structure factors of binary systems and show that the analytical results are in good agreement with the ab initio simulation data. The long-wavelength behaviour of the total charge structure factors for the three binary liquids is discussed

Demonstration of InAlN/AlGaN high electron mobility transistors with an enhanced breakdown voltage by pulsed metal organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Xue, JunShuai, E-mail: junshuaixue@hotmail.com; Zhang, JinCheng; Hao, Yue [Key Laboratory of Wide Band Gap Semiconductor Materials and Devices, School of Microelectronics, Xidian University, Xi' an 710071 (China)

2016-01-04

In this work, InAlN/AlGaN heterostructures employing wider bandgap AlGaN instead of conventional GaN channel were grown on sapphire substrate by pulsed metal organic chemical vapor deposition, where the nominal Al composition in InAlN barrier and AlGaN channel were chosen to be 83% and 5%, respectively, to achieve close lattice-matched condition. An electron mobility of 511 cm{sup 2}/V s along with a sheet carrier density of 1.88 × 10{sup 13 }cm{sup −2} were revealed in the prepared heterostructures, both of which were lower compared with lattice-matched InAlN/GaN due to increased intrinsic alloy disorder scattering resulting from AlGaN channel and compressively piezoelectric polarization in barrier, respectively. While the high electron mobility transistor (HEMT) processed on these structures not only exhibited a sufficiently high drain output current density of 854 mA/mm but also demonstrated a significantly enhanced breakdown voltage of 87 V, which is twice higher than that of reported InAlN/GaN HEMT with the same device dimension, potential characteristics for high-voltage operation of GaN-based electronic devices.

Mechanical, electronic, chemical bonding and optical properties of cubic BaHfO3: First-principles calculations

International Nuclear Information System (INIS)

Liu Qijun; Liu Zhengtang; Feng Liping; Tian Hao

2010-01-01

We have performed ab-initio total energy calculations using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT) to study structural parameters, mechanical, electronic, chemical bonding and optical properties of cubic BaHfO 3 . The calculated lattice parameter and independent elastic constants are in good agreement with previous theoretical and experimental work. The bulk, shear and Young's modulus, Poisson coefficient, compressibility and Lame constants are obtained using Voigt-Reuss-Hill method and the Debye temperature is estimated using Debye-Grueneisen model, which are consistent with previous results. Electronic and chemical bonding properties have been studied from the calculations of band structure, density of states and charge densities. Furthermore, in order to clarify the mechanism of optical transitions of cubic BaHfO 3 , the complex dielectric function, refractive index, extinction coefficient, reflectivity, absorption efficient, loss function and complex conductivity function are calculated. Then, we have explained the origins of spectral peaks on the basis of the theory of crystal-field and molecular-orbital bonding.

Characterization of plutonium-bearing wastes by chemical analysis and analytical electron microscopy

International Nuclear Information System (INIS)

Behrens, R.G.; Buck, E.C.; Dietz, N.L.; Bates, J.K.; Van Deventer, E.; Chaiko, D.J.

1995-09-01

This report summarizes the results of characterization studies of plutonium-bearing wastes produced at the US Department of Energy weapons production facilities. Several different solid wastes were characterized, including incinerator ash and ash heels from Rocky Flats Plant and Los Alamos National Laboratory; sand, stag, and crucible waste from Hanford; and LECO crucibles from the Savannah River Site. These materials were characterized by chemical analysis and analytical electron microscopy. The results showed the presence of discrete PuO 2 PuO 2-x , and Pu 4 O 7 phases, of about 1μm or less in size, in all of the samples examined. In addition, a number of amorphous phases were present that contained plutonium. In all the ash and ash heel samples examined, plutonium phases were found that were completely surrounded by silicate matrices. Consequently, to achieve optimum plutonium recovery in any chemical extraction process, extraction would have to be coupled with ultrafine grinding to average particle sizes of less than 1 μm to liberate the plutonium from the surrounding inert matrix

A Comparative Study of Spectral Auroral Intensity Predictions From Multiple Electron Transport Models

Science.gov (United States)

Grubbs, Guy; Michell, Robert; Samara, Marilia; Hampton, Donald; Hecht, James; Solomon, Stanley; Jahn, Jorg-Micha

2018-01-01

It is important to routinely examine and update models used to predict auroral emissions resulting from precipitating electrons in Earth's magnetotail. These models are commonly used to invert spectral auroral ground-based images to infer characteristics about incident electron populations when in situ measurements are unavailable. In this work, we examine and compare auroral emission intensities predicted by three commonly used electron transport models using varying electron population characteristics. We then compare model predictions to same-volume in situ electron measurements and ground-based imaging to qualitatively examine modeling prediction error. Initial comparisons showed differences in predictions by the GLobal airglOW (GLOW) model and the other transport models examined. Chemical reaction rates and radiative rates in GLOW were updated using recent publications, and predictions showed better agreement with the other models and the same-volume data, stressing that these rates are important to consider when modeling auroral processes. Predictions by each model exhibit similar behavior for varying atmospheric constants, energies, and energy fluxes. Same-volume electron data and images are highly correlated with predictions by each model, showing that these models can be used to accurately derive electron characteristics and ionospheric parameters based solely on multispectral optical imaging data.

Nanotubule and Tour Molecule Based Molecular Electronics: Suggestion for a Hybrid Approach

Science.gov (United States)

Srivastava, Deepak; Saini, Subhash (Technical Monitor)

1998-01-01

Recent experimental and theoretical attempts and results indicate two distinct broad pathways towards future molecular electronic devices and architectures. The first is the approach via Tour type ladder molecules and their junctions which can be fabricated with solution phase chemical approaches. Second are fullerenes or nanotubules and their junctions which may have better conductance, switching and amplifying characteristics but can not be made through well controlled and defined chemical means. A hybrid approach combining the two pathways to take advantage of the characteristics of both is suggested. Dimension and scale of such devices would be somewhere in between isolated molecule and nanotubule based devices but it maybe possible to use self-assembly towards larger functional and logicalunits.

Evaluation of gamma irradiation impact on antibacterial activity, chemical and physical characteristics of the sodium cifteraxon compound

International Nuclear Information System (INIS)

Al-Bachir, M.; Al-Adawi, M. A.; Hammouda, A.; Al-Baroudi, H.

2008-04-01

To investigate the effect of gamma irradiation on the solid state of ceftriaxon sodium salt (C18H16N8Na2O7S3) as a member of the third generation of cephalosporins. Solid Ceftriaxon as a pharmaceutical dosage was exposed to doses of 0, 5, 10, 15, 20, 25, and 50 kGy in 60 Co package irradiator. Physical and chemical characteristics of ceftriaxon have been investigated by using UV (Ultra Violet) and IR (Infra Red) spectroscopic, pH, solubility and DSC (Differential Scanning Calorimetric) methods. Antibacterial activity of ceftriaxon was investigated using Escherichia coli ATCC 25922 as a strain of bacteria. The obtained results indicated that gamma irradiation have no effect on physical and chemical characteristics of ceftriaxon, No significant differences were found between irradiated and non-irradiated samples in the Antibacterial activity of ceftriaxon on E. Coli.(author)

Influence of chemical and structural evolution of dissolved organic matter on electron transfer capacity during composting

International Nuclear Information System (INIS)

He, Xiao-Song; Xi, Bei-Dou; Cui, Dong-Yu; Liu, Yong; Tan, Wen-Bin; Pan, Hong-Wei; Li, Dan

2014-01-01

Highlights: • Electron transfer capability (ETC) of compost-derived DOM was investigated. • Composting treatment increased the ETC of DOM from municipal solid wastes. • The ETC increase related to humic matter, and molecule weight, and N and S content. - Abstract: Dissolved organic matter (DOM) can mediate electron transfer and change chemical speciation of heavy metals. In this study, the electron transfer capability (ETC) of compost-derived DOM was investigated through electrochemical approaches, and the factors influencing the ETC were studied using spectral and elemental analysis. The results showed that the electron accepting capacity (EAC) and electron donating capacity (EDC) of compost-derived DOM were 3.29–40.14 μmol e− (g C) −1 and 57.1– 346.07 μmol e− (g C) −1 , respectively. Composting treatment increased the fulvic- and humic-like substance content, oxygenated aliphatic carbon content, lignin-derived aromatic carbon content, molecule weight, and N and S content of DOM, but decreased the aliphatic carbon content and the C and H content. This conversion increased the EDC and EAC of the DOM during composting

Electronic dosimeter characteristics and new developments

International Nuclear Information System (INIS)

Thompson, I.M.G.

1999-01-01

Electronic dosimeters are very much more versatile than existing passive dosimeters such as TLDs and film badges which have previously been the only type of dosimeters approved by national authorities for the legal measurement of doses to occupationally exposed workers. Requirements for the specifications and testing of electronic dosimeters are given in the standards produced by the International Electrotechnical Commission Working Group IEC SC45B/B8. A description is given of these standards and the use of electronic dosimeters as legal dosimeters is discussed. (author)

One electron reduction and absorption characteristics of Cresyl violet in micellar medium

International Nuclear Information System (INIS)

Gawandi, Vijay B.; Guha, S.N.; Hari Mohan

2000-01-01

Effect of surfactant micelles on absorption characteristics of Cresyl violet (CV) and on its redox reactions have been studied. Among the various surfactants investigated anionic surfactants particularly sodium lauryl sulfate (SLS) and sodium dodecyl benzene sulfonate (SDDBS) showed marked effect on these properties. Reactions of hydrated electron in these micellar media were studied using the technique of nanosecond pulse radiolysis. Results of other surfactants, viz.BSS, CTAB and TritonX-100 have also been presented. (author)

Correlation between the Inhibition of Positronium Formation by Scavenger Molecules, and Chemical Reaction Rate of Electrons with these Molecules in Nonpolar Liquids

DEFF Research Database (Denmark)

Levay, B.; Mogensen, O. E.

1977-01-01

a correlation between the inhibition coefficient and the chemical rate constant of electrons with scavenger molecules. We found that the dependence of the inhibition coefficient on the work function (VOo)f electrons in different liquids shows a very unusual behavior, similar to that recently found...... for the chemical rate constants of quasifree electrons with the same scavenger molecules. The inhibition coefficient as a function of Vo had a maximum for C2HsBr, while it increased monotonously with decreasing V, for CC14. The inhibition coefficient for C2H5Br in a 1:l molar tetramethylsilane......-n-tetradecane mixture was found to be greater than in both of the pure components. The clear correlation found between electron scavenging rate constants and positronium inhibition constitutes the severest test to date of the spur reaction model of positronium formation. The importance of the positron annihilation...

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

Energy Technology Data Exchange (ETDEWEB)

Alejandro, Serguei [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Núcleo de Energías Renovables (F. Ingeniería), Universidad Católica de Temuco, Rudecindo Ortega 02950, Temuco (Chile); Valdés, Héctor, E-mail: hvaldes@ucsc.cl [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Manéro, Marie-Hélène [Université de Toulouse (France); INPT, UPS (France); Laboratoire de Génie Chimique, 4, Allée Emile Monso, F–31030 Toulouse (France); CNRS (France); Laboratoire de Génie Chimique, F–31030 Toulouse (France); Zaror, Claudio A. [Departamento de Ingeniería Química (F. Ingeniería), Universidad de Concepción, Concepción, Correo 3, Casilla 160–C (Chile)

2014-06-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

International Nuclear Information System (INIS)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A.

2014-01-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity

Technical report of electronics shop characteristics of high speed electronics component, (1)

International Nuclear Information System (INIS)

Watanabe, Shin-ichi; Shiino, Kazuo.

1975-01-01

We must develop electronics circuits for high speed signals. The electronics components of the circuits make use of the special components. This report treats a pulse response of the electronics components (i.e. coaxial cable, connector, resistor, capacitor, diode, transistor) for high speed electronics. The results of this report was already applied constructions of high speed electronics circuits and experimental equipments of the High Energy Physics Division. (auth.)

Effect of Electron Beam Irradiation on Physicochemical and Sensory characteristics of Traditional Ice cream

Directory of Open Access Journals (Sweden)

F Hoseinpour Ganjaroudy

2016-03-01

Full Text Available Introduction: Due to the increasing use of irradiation in food safety as an efficient and supplement method, it is needed to investigate effects of this new technology on the apparent and organoleptic characteristics of different products. Because primarily thing that attracts the attention of the customer to buy a food product is its appearance characteristics. The aim of this study was to determine the effect of electron beam irradiation on traditional ice cream. Methods: Ice cream samples were shopped in the city and were moved to the laboratory in defined conditions into the cool box to keep sample frozen. In keeping with freezing conditions, samples were irradiated by electron beam in -18at doses of 0, 1, 2, 3 and 5 kGy. And after one week of storage at -18℃, physicochemical tests including moisture, fat, sugar, pH and sensory tests including color, odor, taste and overall acceptability, were done on it. Results: Results showed that there was no significant difference between irradiated and non-irradiated in the amount of sugar, fat and pH. However, it can be seen significant differences in the moisture content measured in the treated samples with electron beam and untreated one (p<0.05 Also, although the doses of 1 and 2 kGy had no significant effect on the organoleptic characteristics of the product, but with increasing irradiation dose up to 2 kGy, overall acceptability  ​​and color significantly decreased (p<0.05. Conclusion: According to the result,  it can be concluded that the maximum recommended dose is 2 kGy for irradiation traditional ice cream product and  higher doses caused a decline in quality of product.

Surface-conduction electron-emitter characteristics and fabrication based on vertically aligned carbon nanotube arrays

Energy Technology Data Exchange (ETDEWEB)

Shih, Yi-Ting [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Li, Kuan-Wei [Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Honda, Shin-ichi [Graduate School of Engineering, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671-2280 (Japan); Lin, Pao-Hung; Huang, Ying-Sheng [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Lee, Kuei-Yi, E-mail: kylee@mail.ntust.edu.tw [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, No. 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China)

2017-06-01

Graphical abstract: The pattern design provides a new structure of surface-conduction electron-emitter display (SED). Delta-star shaped vertically aligned CNT (VACNT) arrays with 20o tips can simultaneously provide three emitters to bombard the sides of equilateral triangles pattern of VACNT, which produces numerous secondary electrons and enhance the SED efficiency. - Highlights: • The carbon nanotube (CNT) has replaced palladium oxide (PdO) as the electrode material for surface-conduction electron-emitter (SCE) applications. • The vertically aligned CNT (VACNT) arrays with 20° tips of the delta-star arrangement are used as cathodes that easily emit electrons. The cathode pattern simultaneously provides three emitters to bombard the sides of equilateral triangles pattern of VACNT. • The VACNT arrays were covered with magnesium oxide (MgO) nanostructures to promote the surface-conduction electron-emitter display (SED) efficiency (η). • The η was stably maintained in the 75–85% range. The proposed design provides a facile new method for developing SED applications. - Abstract: The carbon nanotube (CNT) has replaced palladium oxide (PdO) as the electrode material for surface-conduction electron-emitter (SCE) applications. Vertically aligned CNT arrays with a delta-star arrangement were patterned and synthesized onto a quartz substrate using photolithography and thermal chemical vapor deposition. Delta-star shaped VACNT arrays with 20° tips are used as cathodes that easily emit electrons because of their high electrical field gradient. In order to improve the field emission and secondary electrons (SEs) in SCE applications, magnesium oxide (MgO) nanostructures were coated onto the VACNT arrays to promote the surface-conduction electron-emitter display (SED) efficiency (η). According to the definition of η in SCE applications, in this study, the η was stably maintained in the 75–85% range. The proposed design provides a facile new method for

Electronic computer prediction of properties of binary refractory transition metal compounds on the base of their simplificated electronic structure

International Nuclear Information System (INIS)

Kutolin, S.A.; Kotyukov, V.I.

1979-01-01

An attempt is made to obtain calculation equations of macroscopic physico-chemical properties of transition metal refractory compounds (density, melting temperature, Debye characteristic temperature, microhardness, standard formation enthalpy, thermo-emf) using the method of the regression analysis. Apart from the compound composition the argument of the regression equation is the distribution of electron bands of d-transition metals, created by the energy electron distribution in the simplified zone structure of transition metals and approximated by Chebishev polynoms, by the position of Fermi energy on the map of distribution of electron band energy depending upon the value of quasi-impulse, multiple to the first, second and third Brillouin zone for transition metals. The maximum relative error of the regressions obtained as compared with the literary data is 15-20 rel.%

Thermoluminescent characteristics of CaSO{sub 4}:Dy+PTFE irradiated with high energy electron beams; Caracteristicas termoluminiscentes del CaSO{sub 4}:Dy+PTFE irradiado con haces de electrones de alta energia

Energy Technology Data Exchange (ETDEWEB)

Alvarez, R.; Rivera, T.; Calderon, J. A.; Jimenez, Y. [IPN, Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada, Av. Legaria 694, Col. Irrigacion, 11500 Mexico D. F. (Mexico); Rodriguez, J. [Hospital General de Mexico, Dr. Balmis 148, Col. Doctores, 06726 Mexico D. F. (Mexico); Oviedo, O. [Centro Medico ABC, Sur 136 No. 116, Col. Las Americas, 01120 Mexico D. F. (Mexico); Azorin, J., E-mail: chagua@hotmail.com [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Av. San Rafael Atlixco 186, 09340 Mexico D. F. (Mexico)

2011-10-15

In the present work thermoluminescent response of dysprosium doped calcium sulfate embedded in polytetrafluorethylene (CaSO{sub 4}:Dy+PTFE) under high electron beam irradiations from linear accelerator for clinical applications was investigated. The irradiations were carried out using high electron beams (6 to 18 MeV) from a linear accelerator Varian, C linac 2300C/D, for clinical practice purpose. The electron irradiations were obtained by using the water solid in order to guarantee electronic equilibrium conditions. Field shaping for electron beams was obtained with electron cones. Glow curve and other thermoluminescent characteristics of CaSO{sub 4}:Dy+PTFE were conducted under high electron beams irradiations. The thermoluminescent response of the pellets showed and intensity peak centered at around 235 C. Thermoluminescent response of CaSO{sub 4}:Dy+PTFE as a function of high electron absorbed dose showed a linearity in a wide range. To obtain reproducibility characteristic, a set of pellets were exposed repeatedly for the same electron absorbed dose. The results obtained in this study can suggest the applicability of CaSO{sub 4}:Dy+PTFE pellets for high electron beam dosimetry, provided fading is correctly accounted for. (Author)

The chemical and biological characteristics of coke-oven wastewater by ozonation

International Nuclear Information System (INIS)

Chang, E.-E.; Hsing, H.-J.; Chiang, P.-C.; Chen, M.-Y.; Shyng, J.-Y.

2008-01-01

A bench-scale bubble column reactor was used to investigate the biological and chemical characteristics of coke-oven wastewater after ozonation treatment through the examination of selected parameters. Color and thiocyanate could be removed almost entirely; however, organic matter and cyanide could not, due to the inadequate oxidation ability of ozone to remove ozonated byproducts under given experimental conditions. The removal of cyanide and total organic carbon were pH-dependent and were found to be efficient under neutral to alkaline conditions. The removal rate for thiocyanate was about five times that of cyanide. The ozone consumption ratio approached to about 1 at the early stage of ozonation (time TOC ) increased to 30%, indicating that easily degraded pollutants were degraded almost entirely. The effect of ozonation on the subsequent biological treatment unit (i.e., activated sludge process) was determined by observing the ratio of 5-day biological oxygen demand to chemical oxygen demand (BOD 5 /COD) and the specific oxygen utilization rate (SOUR). The results indicated that the contribution of ozonation to inhibition reduction was very significant but limited to the enhancement of biodegradation. The operation for ozonation of coke-oven wastewater was feasible under neutral condition and short ozone contact time in order to achieve better performance and cost savings

A study on the chemical characteristics changes throughout the manufacture and ripening of Lighvan cheese

Directory of Open Access Journals (Sweden)

H Mirzae

2011-08-01

Full Text Available Lighvan cheese is one of the traditional cheeses which have the most high quantity of use in Iran. It is produced in South East of Tabriz in North West of Iran. The raw milk of ewe together with 20% -30% of goat's milk, without yeast, are used for its production. Its taste is mild salty and its scent is pleasant. The purpose of this study was to investigate the chemical indexes changes including salt percentage, the degree of acidity, pH, dry mater, ashes, and protein during the production and ripening. For this purpose, after coordinating with 10 local cheese producers, one batch from each producer and from each batch 20 tins, weighing 1 kg, which in total was 200 newly packaged cheese were purchased randomly. The tins were kept in special caves for 30 days in the region and then 60 days in refrigerator. In each batch sample of the raw milk, clot after rising and before salting, the cheese during the package time in tin and the cheese sample on 15th, 30th, 60th, and 90th days of ripining was analyzed chemically. The results of the study from the initial days of production to the end of the ripening period indicated the following changes: the rate of fat from 6.8 ± 0.25 in milk to 24.55±0.95 in samples, pH from 5.94± 0.06 in milk to 4.4±0.11 in samples, acidity from 39.4 ± 5.99 D° in milk to 119.4±5.38 in samples, rate of ash from 1.77±0.23 in milk to 8.09±2.32 in samples, the percentage of dry mater from 16.52±0.74 in milk to 43.57±1.34 in samples, and finally the percentage of protein from 4.45±1/12 in milk to 14.2±1.4 in samples. This result suggests that Lighvan cheese has unique characteristics in terms of its alteration procedure and chemical characteristics and based on the standard criterion in Iran, 2344-1, it is white cheese ripened brine in terms of chemical characteristics and fatty cheese in terms of the percentage of fat.

Study of defects in solids. I. Chemical effects related to the (n,γ) reaction and electron capture. II. dehydration of Ba(ClO3)2,H2O

International Nuclear Information System (INIS)

Mathieu, J.-P.

1975-01-01

The first part of this work concerns the Moessbauer effect study of two groups of phenomena: those related to the (n,γ) reaction and those connected with radioactive disintegration of 57 Co by electron capture. Hf compounds were chosen for the first group, and a chemical study was also devoted to the effects of the (n,γ) reaction in organic complexes of Cr(III). Nuclear recoil and thermal annealing of these compounds were investigated. For the second group an attempt was made to show the effects of the environment on the chemical state of the 57 Fe detected. In part two the Ba(ClO 3 ) 2 ,H 2 O dehydratation mechanism was examined by quadrupolar nuclear resonance. By this technique, combined with X-ray diffraction and Raman spectroscopy, the effects of dehydration on the characteristics of the quadrupolar interaction and on the crystal structure of the compound were demonstrated. A model of the dehydration process is proposed [fr

Characteristics and chemical composition of ground water in Bara basin

International Nuclear Information System (INIS)

Gibla, O.A.M.

2007-01-01

In this study analysis was carried for forty five ground water samples from different areas within Bara basin, fifteen solid samples, three locally produced salt samples and one mixed rocks sample. The rocks were brought from the underground during hand digging of wells. The study include areas Um-Galgie, Bara, Saatah Shambool, Um-Sadoun El-Shareef, EI-Dair, EI-Murra, Taybah, Um-sadoun EI-Nazir, EI-Hodied Shareef, Um-Nabeg, Um-Gazira, Magror, Ma'afa, El-Kheiran, Dameerat Abdu, Sharshar East, Sharshar West, El-Gaa'a Um-Safari, and El-Gaa'a Um EL-Gora. Physical characteristics of ground water samples were determined including pH, electrical conductivity, turbidity, and total dissolved solids, using pH-meter, conductivity-meter, and ultra- meter. Many other analytical techniques were used. Spectrophotometric analysis was used for determination of nitrate(NO 3 ''-''-), nitrite (No 2 ''-), ammonia-nitrogen (NH 3 -N), fluoride(F), sulphide(S''-''-) and sulphate(SO 4 ''-''-) ions. Chloride (Cl''-) and total alkalinity(OH''-,CO 3 ''-''-,HCO 3 ''-) were determined titrametrically. X-ray diffraction technique was used for determination of chemical composition of solid samples (soils,salts and rocks). X-ray fluorescence technique was used to measure the concentration of some metals in the solid samples. Radioactivity was measured using gamma-spectrometry. Atomic absorption spectrometry was used for the measurement of cations concentration in ground water samples as well as soil samples, this include macro-cations: sodium (Na), potassium (K), calcium (Ca), magnesium (Mg) and micro cations (trace): Iron (Fe), manganese (Mn), chromium (Cr), cobalt (Co), nickel (Ni), copper (Cu), zinc (Zn), cadmium (Cd), silver (Ag), lead (Pb) and barium (Ba). The results obtained were statistically treated, using SPSS program, discussed and further future research was suggested. The analysis show general suitability of fresh ground water at section A and C samples from physical and chemical

Characteristics and chemical composition of ground water in Bara basin

Energy Technology Data Exchange (ETDEWEB)

Gibla, O A.M. [Sudan University of Science and Technology, College of Graduate Studies, Khartoum (Sudan)

2007-01-15

In this study analysis was carried for forty five ground water samples from different areas within Bara basin, fifteen solid samples, three locally produced salt samples and one mixed rocks sample. The rocks were brought from the underground during hand digging of wells. The study include areas Um-Galgie, Bara, Saatah Shambool, Um-Sadoun El-Shareef, EI-Dair, EI-Murra, Taybah, Um-sadoun EI-Nazir, EI-Hodied Shareef, Um-Nabeg, Um-Gazira, Magror, Ma'afa, El-Kheiran, Dameerat Abdu, Sharshar East, Sharshar West, El-Gaa'a Um-Safari, and El-Gaa'a Um EL-Gora. Physical characteristics of ground water samples were determined including pH, electrical conductivity, turbidity, and total dissolved solids, using pH-meter, conductivity-meter, and ultra- meter. Many other analytical techniques were used. Spectrophotometric analysis was used for determination of nitrate(NO{sub 3}''-''-), nitrite (No{sub 2}''-), ammonia-nitrogen (NH{sub 3}-N), fluoride(F), sulphide(S''-''-) and sulphate(SO{sub 4}''-''-) ions. Chloride (Cl''-) and total alkalinity(OH''-,CO{sub 3}''-''-,HCO{sub 3}''-) were determined titrametrically. X-ray diffraction technique was used for determination of chemical composition of solid samples (soils,salts and rocks). X-ray fluorescence technique was used to measure the concentration of some metals in the solid samples. Radioactivity was measured using gamma-spectrometry. Atomic absorption spectrometry was used for the measurement of cations concentration in ground water samples as well as soil samples, this include macro-cations: sodium (Na), potassium (K), calcium (Ca), magnesium (Mg) and micro cations (trace): Iron (Fe), manganese (Mn), chromium (Cr), cobalt (Co), nickel (Ni), copper (Cu), zinc (Zn), cadmium (Cd), silver (Ag), lead (Pb) and barium (Ba). The results obtained were statistically treated, using SPSS program, discussed and further future research was suggested. The analysis show general suitability of fresh ground water at section A and C samples from

A comparative study of nitrogen plasma effect on field emission characteristics of single wall carbon nanotubes synthesized by plasma enhanced chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Kumar, Avshish; Parveen, Shama; Husain, Samina; Ali, Javid [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Zulfequar, Mohammad [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Harsh [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Husain, Mushahid, E-mail: mush_reslab@rediffmail.com [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia (A Central University), New Delhi 110025 (India)

2014-12-15

Highlights: • Vertically aligned single wall carbon nanotubes (SWCNTs) have been successfully grown on nickel (Ni) deposited silicon substrate. • The diameter distribution of the grown (SWCNTs) is in the range 1–2 nm. • A current density of 25.0 mA/cm{sup 2} at 1.9 V/μm of the grown SWCNTs is observed with a high turn-on field (E{sub to}) of 1.3 V/μm. • After N{sub 2} nitrogen plasma treatment, huge current density of 81.5 mA/cm{sup 2} at 2.0 V/μm was recorded with low E{sub to} of 1.2 V/μm. • The comparison of these two typical results indicates a drastic enhancement in the field emission properties after plasma treatments. - Abstract: Vertically aligned single wall carbon nanotubes (SWCNTs) with large scale control of diameter, length and alignment have successfully been grown by plasma enhanced chemical vapor deposition (PECVD) system. The nickel (Ni) as catalyst deposited on silicon (Si) substrate was used to grow the SWCNTs. Field emission (FE) characteristics of the as grown SWCNTs were measured using indigenously designed setup in which a diode is configured in such a way that by applying negative voltage on the copper plate (cathode) with respect to stainless steel anode plate, current density can be recorded. To measure the FE characteristics, SWCNTs film pasted on the copper plate with silver epoxy was used as electron emitter source. The effective area of anode was ∼78.5 mm{sup 2} for field emission measurements. The emission measurements were carried out under high vacuum pressure of the order of 10{sup −6} Torr to minimize the electron scattering and degradation of the emitters. The distance between anode and cathode was kept 500 μm (constant) during entire field emission studies. The grown SWCNTs are excellent field emitters, having emission current density higher than 25 mA/cm{sup 2} at turn-on field 1.3 V/μm. In order to enhance the field emission characteristics, the as grown SWCNTs have been treated under nitrogen (N{sub 2

Examination of chemical elements partitioning between the γ and γ′ phases in CMSX-4 superalloy using EDS microanalysis and electron tomography

Directory of Open Access Journals (Sweden)

Kruk Adam

2014-01-01

Full Text Available In the present study, the partition of chemical elements between γ and γ′ phases in CMSX-4 was investigated using EDS microanalysis and electron tomography (FIB-SEM and STEM-EDS methods. The investigation has been performed for the superalloy after standard heat treatment and the ex-service CMSX-4 turbine blade after operation for 12 700 hours and 200 starts in industrial gas turbine. The results have shown that Co, Cr and Re partition to the γ matrix, Ni and W are present in both γ and γ′ phases, while Al, Ti and Ta strongly partition to the γ′ phase. The results show the abilities of new analytical electron microscopy and electron tomography methods to characterize the microstructure and chemical composition of single crystal superalloys at the nanoscale.

Process and device of elementary and chemical analysis of a sample through a spectral analysis of the secondary electron energies

International Nuclear Information System (INIS)

Le Gressus, Claude; Massignon, Daniel; Sopizet, Rene.

1975-01-01

The present invention relates to a method of chemical and elementary analysis of samples through a spectral analysis of secondary electrons (Auger electrons) emitted from said sample under a primary monokinetic electron beam concentrated on its surface. Said method is characterized in that the intensity of the primary monokinetic electron beam emitted from an electron gun is modulated at a frequency ω; and in that the secondary electrons of energy E emitted from the sample are then collected. A reference voltage corresponding to the modulation in intensity of the primary electron beam is applied at the input of a phase sensitive detector together with a voltage proportional to the intensity of the flux of said collected secondary electrons to obtain at the output of said detector a voltage proportional to the number of the secondary electrons of energy E. The secondary emission energy spectrum of the sample is then plotted [fr

Antioxidant properties, physico-chemical characteristics and proximate composition of five wild fruits of Manipur, India.

Science.gov (United States)

Sharma, Ph Baleshwor; Handique, Pratap Jyoti; Devi, Huidrom Sunitibala

2015-02-01

Antioxidant properties, physico-chemical characteristics and proximate composition of five wild fruits viz., Garcinia pedunculata, Garcinia xanthochymus, Docynia indica, Rhus semialata and Averrhoa carambola grown in Manipur, India were presented in the current study. The order of the antioxidant activity and reducing power of the fruit samples was found as R. semialata > D. indica > G. xanthochymus > A. carambola > G. pedunculata. Good correlation coefficient (R(2) > 0.99) was found among the three methods applied to determine antioxidant activity. Total phenolic content was positively correlated (R(2) = 0.960) with the antioxidant activity however, total flavonoid content was not positively correlated with the antioxidant activity. Physico-chemical and proximate composition of these fruits is documented for the first time.

[Chemical characteristics of the pulp and oil of the annona tree (Annona coriaceae)].

Science.gov (United States)

Agostini, T da S; Cecchi, H M; Barrera-Arellano, D

1995-09-01

Belonging to the Annonaceae family, marolo (Annona coriaceae) is a native species of the Brazilian "cerrado" región (Minas Gerais, Goiás and Distrito Federal) and can be found in South American tropical zones. Its fruits are highly consumed by local people and commercialized in markets or street stalls. There is, however, a tendency for the extinction of marolo due to deforestation and the large scale plantation of monocultures instead of native plants. The literature still offers no data on the chemical composition of the proximate composition and vitamin C, A and tannin contents were carried out on the yellow marolo pulp as well as the determination of the physico-chemical characteristics of the seed oil. Five batches of fruit from the Alfenas region--south of Minas Gerais State--were analysed in this work and their average composition were: humidity 77%, total sugar 15%, reducing sugar 11%, crude protein 1%, lipids 3%, fiber 5% and fixed mineral residue 1%. The contents of vitamin C and A were 8.2 mg/100g and 117.5 RE/100g, respectively, and the tannin content was 245 mg/100g. The results showed high fiber and lipid contents of marolo pulp in comparison with many other tropical fruit pulps. The vitamin C contents were equivalent to those found in avocado, pineapple and watermelon, while the vitamin A contents were equivalent to papaya, peach, guava and several other tropical fruits. Marolo seed contains 45% of oil on a dry basis. Its composition and physico-chemical characteristics showed the possibility of producing a good quality oil, with great potential for the fine oil market. However the presence of alkaloids in the oil needs to be further studied. Their elimination could be done by refining or extraction in a continuous press. The results exalt the high quality of marolo pulp, showing that the preservation of native species should be stimulated.

Microbiological and chemical characteristics of gamma irradiated roasted Veal Meat

International Nuclear Information System (INIS)

Aftfy, S.A.; Abdel-Daiem, M.H.

2007-01-01

This investigation aims 10 study the possibility of using gamma irradiation at doses of 1,3 and 5 KGy for microbial decontamination of roasted veal meat (kebab). The samples were purchased from local market and examined for the counts of Staphylococcus aureus, Bacillus cereus, presence of Salmonella spp and the counts of total bacterial, molds and yeasts and Enterobacteriaceae. The results illustrated that all samples were positive for Staphylococcus aureus, Bacillus cereus, while Salmonella spp was detected in only 3 samples. Therefore, these product samples were gamma irradiated at doses of 0,1,3 and 5 kGy, then stored at cold storage (4±1 degree C). The effects of these treatments on the microbiological, chemical and sensory characteristics were studied post treatment and during cold storage. Irradiation at 1 kGy reduced the counts of total bacterial, molds and yeasts, Enterobacteriaceae, Staphylococcus aureus and Bacillus cereus as well as eliminating Salmonella spp. On the other hand, irradiation at 3 and 5 kGy doses completely eliminated the present Enterobacteriaceae, S. aureus, B, cereus and Salmonella spp. Irradiation of samples increased their amounts of thiobarbituric acid reactive substances (TBARS) but it did not affect the sensory characteristics of samples and it had no effects on their total volatile nitrogen (TVN) contents, while storage increased the TBARS and TVN for irradiated and non-irradiated samples. Gamma irradiation treatments had no effects on the sensory characteristics for appearance, odor and taste of all kebab samples and extended their time of sensory preference. However, doses of 1, 3 and 5 kGy reduced the counts of total bacteria and extended of the refrigerated shelf-life of samples to 11, 23 and 29 days, respectively, compared to 5 days for non-irradiated controls

Chemical characteristics of waters in Karst Formations at the Oak Ridge Y-12 Plant

International Nuclear Information System (INIS)

Shevenell, L.A.

1994-11-01

Several waste disposal sites are located adjacent to or on a karst aquifer composed of the Cambrian Maynardville Limestone (Cmn) and the Cambrian Copper Ridge Dolomite (Ccr) at the U.S. Department of Energy Oak Ridge Y-12 Plant in Oak Ridge, TN. Highly variable chemical characteristics (i.e., hardness) can indicate that the portion of the aquifer tapped by a particular well is subject to a significant quick-flow component where recharge to the system is rapid and water levels and water quality change rapidly in response to precipitation events. Water zones in wells at the Y-12 Plant that exhibit quick-flow behavior (i.e., high hydraulic conductivity) are identified based on their geochemical characteristics and variability in geochemical parameters, and observations made during drilling of the wells. The chemical data used in this study consist of between one and 20 chemical analyses for each of 102 wells and multipart monitoring zones. Of these 102 water zones, 10 were consistently undersaturated with respect to calcite suggesting active dissolution. Repeat sampling of water zones shows that both supersaturation and undersaturation with respect to dolomite occurs in 46 water zones. Twelve of the zones had partial pressure of CO 2 near atmospheric values suggesting limited interaction between recharge waters and the gases and solids in the vadose zone and aquifer, and hence, relatively short residence times. The preliminary data suggest that the Cmn is composed of a complicated network of interconnected, perhaps anastomosing, cavities. The degree of interconnection between the identified cavities is yet to be determined, although it is expected that there is a significant vertical and lateral interconnection between the cavities located at shallow depths in the Cnm throughout Bear Creek Valley and the Y-12 Plant area

Characteristic of physical, chemical, and microbiological kombucha from various varieties of apples

Science.gov (United States)

Zubaidah, E.; Yurista, S.; Rahmadani, N. R.

2018-03-01

Kombucha is a fermented tea beverage with the addition of kombucha starter also called SCOBY (Symbiotic Culture Of Bacteria and Yeast). The purpose of this research was to know the physical, chemical and microbiological characteristics of kombucha from various varieties of apple kombucha. The study used Randomized Block Design (RAK) with one factor of apple varieties (Anna, Fuji, Granny Smith, Manalagi, Red Delicious, Rome Beauty, Royal Gala). Each treatment was repeated three times. Data was analyzed with ANOVA (Analysis of Variance). The best treatment was selected using Multiple Attribute method. Data of hedonic test was analysed using Friedman Test. The best treatment was obtained on Fuji varieties of kombucha apple with the characteristics as follows: total acid 1.33%; pH 2.95; Total phenol 268.57 μg/ml GAE; Total sugar 6.74%; Antibacterial activity against S.aureus 21.30 mm; Antibacterial activity E.coli 21.20 mm; Antioxidant activity 35.62%; Organoleptic aroma 3.55, taste 3.3; Color 3.4 (on a scale of 1-5)

Donor–Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties

KAUST Repository

Pandey, Laxman; Risko, Chad; Norton, Joseph E.; Bré das, Jean-Luc

2012-01-01

We systematically investigate at the density functional theory level how changes to the chemical structure of donor-acceptor copolymers used in a number of organic electronics applications influences the intrinsic geometric, electronic, and optical

Chemical and engineering approaches to enable organic field-effect transistors for electronic skin applications.

Science.gov (United States)

Sokolov, Anatoliy N; Tee, Benjamin C-K; Bettinger, Christopher J; Tok, Jeffrey B-H; Bao, Zhenan

2012-03-20

Skin is the body's largest organ and is responsible for the transduction of a vast amount of information. This conformable material simultaneously collects signals from external stimuli that translate into information such as pressure, pain, and temperature. The development of an electronic material, inspired by the complexity of this organ is a tremendous, unrealized engineering challenge. However, the advent of carbon-based electronics may offer a potential solution to this long-standing problem. In this Account, we describe the use of an organic field-effect transistor (OFET) architecture to transduce mechanical and chemical stimuli into electrical signals. In developing this mimic of human skin, we thought of the sensory elements of the OFET as analogous to the various layers and constituents of skin. In this fashion, each layer of the OFET can be optimized to carry out a specific recognition function. The separation of multimodal sensing among the components of the OFET may be considered a "divide and conquer" approach, where the electronic skin (e-skin) can take advantage of the optimized chemistry and materials properties of each layer. This design of a novel microstructured gate dielectric has led to unprecedented sensitivity for tactile pressure events. Typically, pressure-sensitive components within electronic configurations have suffered from a lack of sensitivity or long mechanical relaxation times often associated with elastomeric materials. Within our method, these components are directly compatible with OFETs and have achieved the highest reported sensitivity to date. Moreover, the tactile sensors operate on a time scale comparable with human skin, making them ideal candidates for integration as synthetic skin devices. The methodology is compatible with large-scale fabrication and employs simple, commercially available elastomers. The design of materials within the semiconductor layer has led to the incorporation of selectivity and sensitivity within

Geochemical and Microbiological Characteristics during in Situ Chemical Oxidation and in Situ Bioremediation at a Diesel Contaminated Site

NARCIS (Netherlands)

Sutton, N.B.; Kalisz, M.; Krupanek, J.; Marek, J.; Grotenhuis, J.T.C.; Smidt, H.; Weert, de J.; Rijnaarts, H.H.M.; Gaans, van P.; Keijzer, T.

2014-01-01

While in situ chemical oxidation with persulfate has seen wide commercial application, investigations into the impacts on groundwater characteristics, microbial communities and soil structure are limited. To better understand the interactions of persulfate with the subsurface and to determine the

Electron-impact vibrational excitation of the hydroxyl radical in the nighttime upper atmosphere

Science.gov (United States)

Campbell, Laurence; Brunger, Michael J.

2018-02-01

Chemical processes produce vibrationally excited hydroxyl (OH) in a layer centred at an altitude of about 87 km in the Earth's atmosphere. Observations of this layer are used to deduce temperatures in the mesosphere and to observe the passage of atmospheric gravity waves. Due to the low densities and energies at night of electrons at the relevant altitude, it is not expected that electron-impact excitation of OH would be significant. However, there are unexplained characteristics of OH densities and radiative emissions that might be explained by electron impact. These are measurements of higher than expected densities of OH above 90 km and of emissions at higher energies that cannot be explained by the chemical production processes. This study simulates the role of electron impact in these processes, using theoretical cross sections for electron-impact excitation of OH. The simulations show that electron impact, even in a substantial aurora, cannot fully explain these phenomena. However, in the process of this investigation, apparent inconsistencies in the theoretical cross sections and reaction rates were found, indicating that measurements of electron-impact excitation of OH are needed to resolve these problems and scale the theoretical predictions to allow more accurate simulations.

Physical and chemical characteristics of interplanetary dust particles

International Nuclear Information System (INIS)

Gruen, E.

1981-01-01

For the first time, the micrometeoroid experiment on board of Helios allowed the measurement of physical and chemical characteristics of interplanetary dust particles between 0.3AU and 1AU solar distance. During the first 10 orbits of Helios 1,235 impacts of micrometeoroids have been detected. 83 particles have been registered by the ecliptic sensor and 152 by the south sensor. Most of the particles detected by the ecliptic sensor had masses 10 -13 g -10 g and impacted the sensor from the apex direction. The particles observed by the south sensor had masses 10 -15 g -9 g and impacted the sensor from all directions with a slightly enhanced flux from solar direction. The average impact speed of particles with masses 10 -13 g -10 g was 15km/s. From 1AU to.3AU, the observed paritcle flux increased by a factor 5-10. The orbits of the registered particles are highly eccentric, e approx. >= 0.6, and some are hyperbolic. The mass spectra measured upon impact allow the classification of chondritic and iron-rich particles. Approx. 20% of the particles had low densities rho 3 . On 4 particles, a positive electric charge has been observed. (orig.) [de

Effect of time and storage conditions on the physical and physico-chemical characteristics of the pulp of yellow and purple passion fruit

Directory of Open Access Journals (Sweden)

Letícia da Silva ARAÚJO

Full Text Available Abstract The aim of this study was evaluate the physical and physico-chemical characteristics of extracted fruit pulp of passion fruit with different skin color (yellow, light and dark purple under refrigeration temperatures and storage times. The extracted pulp of passion fruit was stored at different temperatures: 10 °C, 25 °C; - 30 °C and - 80 °C and at four different storage periods: 0; 10; 20 and 30 days. The following physical and physico-chemical characteristics of the fruit were evaluated: color of fruit peel, fruit weight, diameter, length and width of the fruit, peel thickness, peel mass, pulp mass, pulp color, juice yield, pH, soluble solids, titratable acidity and ratio. The physical and physico-chemical results indicate that all the passion fruit pulp, in natura as well as refrigerated, presented values in conformity to the identity and quality standards. The coloration of the fruit peel influenced the preservation of pulp color during the storage period and conditions. Purple fruits showed no change in the color of the pulp, even under different conservation procedures. The passion fruit pulp can be stored up to 30 days while preserving the physical and physico-chemical characteristics, similar to the pulp in natura.

Thermal Characteristics of Plastic Film Tension in Roll-to-Roll Gravure Printed Electronics

Directory of Open Access Journals (Sweden)

Kui He

2018-02-01

Full Text Available In the printing section of a roll-to-roll gravure printed electronics machine, the plastic film tension is directly associated with the product quality. The temperature distribution of the plastic film in the printing section is non-uniform, because of the higher drying temperature and the lower room temperature. Furthermore, the drying temperature and the room temperature are not constants in industrial production. As the plastic film is sensitive to temperature, the temperature of the plastic film will affects the web tension in the printing section. In this paper, the thermal characteristics of the plastic film tension in roll-to-roll gravure printed electronics are studied in order to help to improve the product quality. First, the tension model including the factor of temperature is derived based on the law of mass conservation. Then, some simulations and experiments are carried out in order to in-depth research the effects of the drying temperature and room temperature based on the relations between system inputs and outputs. The results show that the drying temperature and room temperature have significant influences on the web tension. The research on the thermal characteristics of plastic film tension would benefit the tension control accuracy for further study.

Influence of chemical and structural evolution of dissolved organic matter on electron transfer capacity during composting

Energy Technology Data Exchange (ETDEWEB)

He, Xiao-Song [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Xi, Bei-Dou, E-mail: hexs82@126.com [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Cui, Dong-Yu [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China); Liu, Yong [Guangdong Key Laboratory of Agro-Environmental Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650 (China); Tan, Wen-Bin; Pan, Hong-Wei; Li, Dan [State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012 (China); Innovation base of Ground Water and Environmental System Engineering, Chinese Research Academy of Environmental Science, Beijing 100012 (China)

2014-03-01

Highlights: • Electron transfer capability (ETC) of compost-derived DOM was investigated. • Composting treatment increased the ETC of DOM from municipal solid wastes. • The ETC increase related to humic matter, and molecule weight, and N and S content. - Abstract: Dissolved organic matter (DOM) can mediate electron transfer and change chemical speciation of heavy metals. In this study, the electron transfer capability (ETC) of compost-derived DOM was investigated through electrochemical approaches, and the factors influencing the ETC were studied using spectral and elemental analysis. The results showed that the electron accepting capacity (EAC) and electron donating capacity (EDC) of compost-derived DOM were 3.29–40.14 μmol{sub e−} (g C){sup −1} and 57.1– 346.07 μmol{sub e−} (g C){sup −1}, respectively. Composting treatment increased the fulvic- and humic-like substance content, oxygenated aliphatic carbon content, lignin-derived aromatic carbon content, molecule weight, and N and S content of DOM, but decreased the aliphatic carbon content and the C and H content. This conversion increased the EDC and EAC of the DOM during composting.

The one-electron oxidation of a dithiolate molecule: the importance of chemical intuition.

Science.gov (United States)

Bushnell, Eric A C; Burns, Thomas D; Boyd, Russell J

2014-05-14

A series of nine commonly used density functional methods were assessed to accurately predict the oxidation potential of the (C2H2S2(-2)/C2H2S2(•-)) redox couple. It was found that due to their greater tendency for charge delocalization the GGA functionals predict a structure where the radical electron is delocalized within the alkene backbone of C2H2S2(•-), whereas the hybrid functionals and the reference QCISD/cc-pVTZ predict that the radical electron remains localized on the sulfurs. However, chemical intuition suggests that the results obtained with the GGA functionals should be correct. Indeed, with the use of the geometries obtained at the HCTH/6-311++G(3df,3pd) level of theory both the QCISD and hybrid DFT methods yield a molecule with a delocalized electron. Notably, this new molecule lies at least 53 kJ mol(-1) lower in energy than the previously optimized one that had a localized radical. Using these new structures the calculated oxidation potential was found to be 2.71-2.97 V for the nine DFT functionals tested. The M06-L functional provided the best agreement with the QCISD/cc-pVTZ reference oxidation potential of 3.28 V.

Characterization of electron cyclotron resonance hydrogen plasmas

International Nuclear Information System (INIS)

Outten, C.A.

1990-01-01

Electron cyclotron resonance (ECR) plasmas yield low energy and high ion density plasmas. The characteristics downstream of an ECR hydrogen plasma were investigated as a function of microwave power and magnetic field. A fast-injection Langmuir probe and a carbon resistance probe were used to determine plasma potential (V p ), electron density (N e ), electron temperature (T e ), ion energy (T i ), and ion fluence. Langmuir probe results showed that at 17 cm downstream from the ECR chamber the plasma characteristics are approximately constant across the center 7 cm of the plasma for 50 Watts of absorbed power. These results gave V p = 30 ± 5 eV, N e = 1 x 10 8 cm -3 , and T e = 10--13 eV. In good agreement with the Langmuir probe results, carbon resistance probes have shown that T i ≤ 50 eV. Also, based on hydrogen chemical sputtering of carbon, the hydrogen (ion and energetic neutrals) fluence rate was determined to be 1 x 10 16 /cm 2 -sec. at a pressure of 1 x 10 -4 Torr and for 50 Watts of absorbed power. 19 refs

Electron transport in InAs/AlGaSb ballistic rectifiers

International Nuclear Information System (INIS)

Maemoto, Toshihiko; Koyama, Masatoshi; Furukawa, Masashi; Takahashi, Hiroshi; Sasa, Shigehiko; Inoue, Masataka

2006-01-01

Nonlinear transport properties of a ballistic rectifier fabricated from InAs/AlGaSb heterostructures are reported. The operation of the ballistic rectifier is based on the guidance of carriers by a square anti-dot structure. The structure was defined by electron beam lithography and wet chemical etching. The DC characteristics and magneto-transport properties of the ballistic rectifier have been measured at 77 K and 4.2 K. Rectification effects relying on the ballistic transport were observed. From the four-terminal resistance measured at low magnetic fields, we also observed magneto-resistance fluctuations corresponding to the electron trajectories and symmetry-breaking electron scattering, which are influenced by the magnetic field strength

Chemical characteristics of urban stormwater sediments and implications for environmental management, Maricopa County, Arizona

Science.gov (United States)

Parker, J.T.C.; Fossum, K.D.; Ingersoll, T.L.

2000-01-01

Investigations of the chemical characteristics of urban stormwater sediments in the rapidly growing Phoenix metropolitan area of Maricopa County, Arizona, showed that the inorganic component of these sediments generally reflects geologic background values. Some concentrations of metals were above background values, especially cadmium, copper, lead, and zinc, indicating an anthropogenic contribution of these elements to the sediment chemistry. Concentrations, however, were not at levels that would require soil remediation according to guidelines of the U.S. Environmental Protection Agency. Arsenic concentrations generally were above recommended values for remediation at a few sites, but these concentrations seem to reflect geologic rather than anthropogenic factors. Several organochlorine compounds no longer in use were ubiquitous in the Phoenix area, although concentrations generally were low. Chlordane, DDT and its decay products DDE and DDD, dieldrin, toxaphene, and PCBs were found at almost all sites sampled, although some of the pesticides in which these compounds are found have been banned for almost 30 years. A few sites showed exceptionally high concentrations of organochlorine compounds. On the basis of published guidelines, urban stormwater sediments do not appear to constitute a major regional environmental problem with respect to the chemical characteristics investigated here. At individual sites, high concentrations of organic compounds - chlordane, dieldrin, PCBs, and toxaphene - may require some attention. The possible environmental hazard presented by low-level organochlorine contamination is not addressed in this paper; however, high levels of toxicity in urban sediments are difficult to explain. Sediment toxicity varied significantly with time, which indicates that these tests should be evaluated carefully before they are used for management decisions.Investigations of the chemical characteristics of urban stormwater sediments in the rapidly

Agronomic and chemical characteristics of hybrid corn to ensiling

Directory of Open Access Journals (Sweden)

Flávia Borges de Assis

2014-12-01

Full Text Available Our aim was to evaluate agronomic and chemical characteristics of corn hybrids to ensiling. It were evaluated nine corn hybrids (MX 300, RB 9308, 2B655, XB 6012, GNZ 2500, PL6890, PRE 32D10, PRE 22T10 e AG 1051, with three replicates. The higher fresh matter yield were observed in the hybrids PL6890 and PRE 32D10, while the dry matter yield was observed in the hybrid PRE 32D10 (13.43 t ha-1. The hybrids PRE 32D10 and PRE 22T10 stood out to present higher percent of leaf in relation to whole plant, while the lower percent of stems was found in the hybrids MX 300, 2B655 and XB 6012, however the higher leaves: stems relation was found in XB 6012 (0.49. There was higher CP content in the hybrid PRE 32D10 (9.10% of DM, while the lower NDF (57.78% of DM and cellulose content (24.27% of DM were observed in the hybrid GNZ 2500. The hybrid PL6890 presented higher ADF and lignin contents, the others hybrids had values lower. The lower NDIN content was observed in the hybrid RB 9308, while the lower AIDN content occurred on the hybrid 2B655. The lower buffer capacity was observed in the hybrid 2B655 (0.29. There are some differences on chemical composition among the corn hybrids used in this study, however, it is recommended to use the hybrids MX 300, PL6890 and PRE 32D10 for showing higher dry matter yield, which may reflect in the amortization of silage production costs.

Determination of some chemical and microbiological characteristics of Kaymak

Directory of Open Access Journals (Sweden)

Ökten, Sevtap

2006-12-01

Full Text Available Kaymak is a kind of concentrated cream, which is traditionally manufactured from buffalo or cow’s milk in Turkey. It is generally consumed with honey at breakfast and some traditional Turkish desserts. The aim of this study was to determine some chemical and microbiological properties of kaymak. The samples were obtained from different dairy plants producing kaymak from cow’s milk and local markets located in Zmir. They were examined for total solids and fat contents, acidity, pH and peroxide values, as well as counts of coliform bacteria, E. coli, yeast and moulds, and Staphylococci. Chemical characteristics of the samples were generally favorable for Turkish Food Codex. However, microbiological properties of some samples were very poor. Careful considerations should be given by the kaymak industry during manufacturing and storage of the product.Kaymak es una clase de crema concentrada, que se fabrica tradicionalmente de la leche del búfalo o de la vaca en Turquía. Se consume generalmente con la miel en el desayuno y en algunos postres turcos tradicionales. El objetivo de este estudio fue determinar algunas características químicas y microbiológicas del kaymak. Las muestras fueron obtenidas de diversas instalaciones lecheras productoras de kaymak de leche de vaca y de mercados locales situados en Zmir. Se analizó el contenido en sólidos totales y grasas, acidez, pH y valores de peróxido, además del conteo de tan bien como cuentas de las bacterias coliformes, E. coli, levadura y mohos, y estafilococos. Las características químicas de las muestras fueron generalmente aceptables para el Turkish Food Codex. Sin embargo, las características microbiológicas de algunas muestras fueron muy malas. La industria del kaymak debe ser extremadamente cuidadosa durante la fabricación y el almacenaje del producto.

Both gas chromatography and an electronic nose reflect chemical polymorphism of juniper shrubs browsed or avoided by sheep.

Science.gov (United States)

Markó, Gábor; Novák, Ildikó; Bernáth, Jeno; Altbäcker, Vilmos

2011-07-01

Chemical polymorphism may contribute to variation in browsing damage by mammalian herbivores. Earlier, we demonstrated that essential oil concentration in juniper, Juniperus communis, was negatively associated with herbivore browsing. The aim of the present study was to characterize the volatile chemical composition of browsed and non-browsed J. communis. By using either gas chromatography with flame ionization detection (GC-FID) or an electronic nose device, we could separate sheep-browsed or non-browsed juniper shrubs by their essential oil pattern and complex odor matrix. The main components of the essential oil from J. communis were monoterpenes. We distinguished three chemotypes, dominated either by α-pinene, sabinene, or δ-3-carene. Shrubs belonging to the α-pinene- or sabinene-dominated groups were browsed, whereas all individuals with the δ-3-carene chemotype were unused by the local herbivores. The electronic nose also separated the browsed and non-browsed shrubs indicating that their odor matrix could guide sheep browsing. Responses of sheep could integrate the post-ingestive effects of plant secondary metabolites with sensory experience that stems from odor-phytotoxin interactions. Chemotype diversity could increase the survival rate in the present population of J. communis as certain shrubs could benefit from relatively better chemical protection against the herbivores.

The impact of semiconductor, electronics and optoelectronic industries on downstream perfluorinated chemical contamination in Taiwanese rivers

International Nuclear Information System (INIS)

Lin, Angela Yu-Chen; Panchangam, Sri Chandana; Lo, Chao-Chun

2009-01-01

This study provides the first evidence on the influence of the semiconductor and electronics industries on perfluorinated chemicals (PFCs) contamination in receiving rivers. We have quantified ten PFCs, including perfluoroalkyl sulfonates (PFASs: PFBS, PFHxS, PFOS) and perfluoroalkyl carboxylates (PFCAs: PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUnA, PFDoA) in semiconductor, electronic, and optoelectronic industrial wastewaters and their receiving water bodies (Taiwan's Keya, Touchien, and Xiaoli rivers). PFOS was found to be the major constituent in semiconductor wastewaters (up to 0.13 mg/L). However, different PFC distributions were found in electronics plant wastewaters; PFOA was the most significant PFC, contributing on average 72% to the effluent water samples, followed by PFOS (16%) and PFDA (9%). The distribution of PFCs in the receiving rivers was greatly impacted by industrial sources. PFOS, PFOA and PFDA were predominant and prevalent in all the river samples, with PFOS detected at the highest concentrations (up to 5.4 μg/L). - The semiconductor, electronics and optoelectronic industries are the primary source of PFC contamination in downstream aqueous environments

Effect of gamma irradiation on microbial decontamination, and chemical and sensory characteristic of lycium fruit

Energy Technology Data Exchange (ETDEWEB)

Wen, H.-W. [Department of Food Science and Technology, Cornell University, Geneva, NY 14456 (United States); Chung, H.-P. [Nuclear Science and Technology Development Center, National Tsing Hua University, Hsinchu, Taiwan (China); Chou, F.-I. [Nuclear Science and Technology Development Center, National Tsing Hua University, Hsinchu, Taiwan (China)]. E-mail: fichou@mx.nthu.edu.tw; Lin, I-H. [Committee on Chinese Medicine and Pharmacy, Department of Health, Executive Yuan, Taiwan (China); Hsieh, P.-C. [Committee on Chinese Medicine and Pharmacy, Department of Health, Executive Yuan, Taiwan (China)

2006-05-15

Lycium fruit, popular traditional Chinese medicine and food supplement generally is ingested uncooked, was exposed to several doses of gamma irradiation (0-14 kGy) to evaluate decontamination efficiency, changes in chemical composition, and changes in sensory characteristic. In this study, lycium fruit specimens contained microbial counts of 3.1x10{sup 3}-1.7x10{sup 5} CFU/g and 14 kGy was sufficient for microbial decontamination. Before irradiation, the main microbe isolated from lycium fruit was identified as a strain of yeast, Cryptococcus laurentii. After 10 kGy of irradiation, a Gram-positive spore-forming bacterium, Bacillus cereus, was the only survivor. The first 90% reduction (LD{sub 9}) of C. laurentii and B. cereus was approximately 0.6 and 6.5 kGy, respectively, the D{sub 1} doses of C. laurentii and B. cereus was approximately 0.6 and 1.7 kGy, respectively. After 14 kGy irradiation, except the vitamin C content, other chemical composition (e.g., crude protein, {beta}-carotene, riboflavin, fructose, etc.) and the sensory characteristic of lycium fruit specimens did not have significant changes. In conclusion, 14 kGy is the optimal decontamination dose for lycium fruit for retention of its sensory quality and extension of shelf life.

Effect of gamma irradiation on microbial decontamination, and chemical and sensory characteristic of lycium fruit

International Nuclear Information System (INIS)

Wen, H.-W.; Chung, H.-P.; Chou, F.-I.; Lin, I-H.; Hsieh, P.-C.

2006-01-01

Lycium fruit, popular traditional Chinese medicine and food supplement generally is ingested uncooked, was exposed to several doses of gamma irradiation (0-14 kGy) to evaluate decontamination efficiency, changes in chemical composition, and changes in sensory characteristic. In this study, lycium fruit specimens contained microbial counts of 3.1x10 3 -1.7x10 5 CFU/g and 14 kGy was sufficient for microbial decontamination. Before irradiation, the main microbe isolated from lycium fruit was identified as a strain of yeast, Cryptococcus laurentii. After 10 kGy of irradiation, a Gram-positive spore-forming bacterium, Bacillus cereus, was the only survivor. The first 90% reduction (LD 9 ) of C. laurentii and B. cereus was approximately 0.6 and 6.5 kGy, respectively, the D 1 doses of C. laurentii and B. cereus was approximately 0.6 and 1.7 kGy, respectively. After 14 kGy irradiation, except the vitamin C content, other chemical composition (e.g., crude protein, β-carotene, riboflavin, fructose, etc.) and the sensory characteristic of lycium fruit specimens did not have significant changes. In conclusion, 14 kGy is the optimal decontamination dose for lycium fruit for retention of its sensory quality and extension of shelf life

Characteristic losses of electrons energy under reflection from leadsilicate glasses

International Nuclear Information System (INIS)

Gusarov, A.I.; Mashkov, V.A.; Pronin, V.P.; Tyutikov, A.M.

1986-01-01

The spectra of characteristic losses of energy (CLE) for the case of electron reflection from the surface of leadsilicate glasses of the composition xPbOx(1-x)SiO 2 , depending on molar concentration of lead oxide x, has been calculated for the first time. It is shown that the given model of glass energy structure permits to describe correctly general behaviour of CLE spectrum. However, the energy of plasma maximum measured experimentally remains approximately constant. The behaviour can be conditioned by ω 0 dependence on x[4], which has not been taken into account, and (or) by a slower change in ΔE, than it has been assumed. Further refining of theory and experiment is required to solve the problem

Deposition and characteristics of PbS thin films by an in-situ solution chemical reaction process

Energy Technology Data Exchange (ETDEWEB)

Ji, Junna; Ji, Huiming; Wang, Jian; Zheng, Xuerong; Lai, Junyun; Liu, Weiyan; Li, Tongfei [School of Materials Science and Engineering, Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education, Tianjin University, Tianjin 300072 (China); Ma, Yuanliang; Li, Haiqin; Zhao, Suqin [College of Physics and Electronic Information Engineering, Qinghai University for Nationalities, Xining 810007 (China); Jin, Zhengguo, E-mail: zhgjin@tju.edu.cn [School of Materials Science and Engineering, Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education, Tianjin University, Tianjin 300072 (China)

2015-09-01

Preferential oriented and uniform PbS thin films were deposited by a room temperature in-situ solution chemical reaction process, in which the lead nitrate as precursor in a form of thin solid films from lead precursor solution was used to react with ammonium sulfide ethanol solution. Influence of 1-butanol addition in the lead precursor solution, Pb:S molar ratios in the separate cationic and anionic solutions, deposition cycle numbers and annealing treatment in Ar atmosphere on structure, morphology, chemical composition and optical absorption properties of the deposited PbS films were investigated based on X-ray diffraction, field emission scanning electron microscopy, energy dispersive spectrometer, atomic force microscopy, selected area electron diffraction, UV–vis, near infrared ray and fourier transform infrared spectroscopy measurements. The results showed that the deposited PbS thin films had a cubic structure and highly preferred orientation along with the plane (100). The deposition rate of single-layer was stable, about 30 nm in thickness per deposition cycle. - Highlights: • Time-efficiency synthetic method for the preparation of lead sulfide (PbS) films • Effect of 1-butanol addition into cationic precursor solution is discussed. • Growth rate of the PbS films is stable at about 30 nm per cycle.

A comparative study on thermal, mechanical and dielectric characteristics of low density polyethylene crosslinked by radiation and chemical methods

International Nuclear Information System (INIS)

Kim, B.H.; Ling, D.Y.; Kim, J.S.

1976-01-01

A comparative study on thermal, static mechanical and dielectric characteristics were made over a temperature range of ca. 20 0 C to 320 0 C and a frequency range of KHZ band on low density polyethylene specimens crosslinked, respectively, by radiation and chemical method. The thermal property of both specimens shows that softening point appears to unchange by crosslinking however, melting and liquidizing temperatures attain rapid increase at the imitation of crosslinking. Mechanical properties show little difference to both specimens crosslinked by different method, further the behaviors were discussed in connection with the relaxation of molecular segments in amorphous phase. Dose dependent dielectric characteristics observed at ambient temperature under several fixed frequencies exhibit extremities at ca. 20 Mrad and the behaviors also were interpreted qualitatively by taking into consideration of dipole concentration change in amorphous phase together with the role of specimen geometry to the depth of oxidative layer. Observing frequency dependent dielectric characteristics, it was also proved that ionic conduction loss is appreciably greater in the specimen prepared by chemical method than that by radiation. (author)

Comparative analysis of physico-chemical and gas sensing characteristics of two different forms of SnO_2 films

International Nuclear Information System (INIS)

Kwoka, M.; Ottaviano, L.; Szuber, J.

2017-01-01

Highlights: • Two different forms of SnO_2 deposited on Si substrate. • Crystallinity and surface/subsurface morphology controlled by XRD, SEM and AFM. • Surface/subsurface chemistry including stoichiometry and contaminations derived from XPS. • Comparative analysis of gas sensor characteristics of SnO_2 in NO_2 atmosphere. • Correlations between physico-chemical properties and gas sensor characteristics. - Abstract: In this paper the results of studies of comparative studies on the crystallinity, morphology and chemistry combined with the gas sensor response of two different forms of tin dioxide (SnO_2) films prepared by the Rheotaxial Growth and Thermal Oxidation (RGTO) and by the Laser-enhanced Chemical Vapour Deposition (L-CVD) methods, respectively, are presented. For this purpose the X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM) and X-ray Photoelectron spectroscopy (XPS) have been used. XRD studies for both samples show the contribution from the crystalline SnO_2 in the cassiterite rutile phase without any evident contribution from the tin oxide (SnO) phase. SEM and AFM studies show that the surface morphology of RGTO and L-CVD SnO_2 samples are characterized by grains/nanograins of different size and surface roughness. In turn XPS studies confirm that for both SnO_2 samples a slight nonstoichiometry with a relative [O]/[Sn] concentration of 1.8, and slightly different amount of C contamination at the surface of internal grains with relative [C]/[Sn] concentration of 3.5 and 3.2, respectively. This undesired C contamination cannot be ignored because it creates an uncontrolled barrier for the potential gas adsorption at the internal surface of sensor material. This is confirmed by the gas sensor response in NO_2 atmosphere of both SnO_2 samples because the sensitivity is evidently smaller for RGTO SnO_2 with respect to the L-CVD SnO_2 samples, whereas the response time showed a completely opposite tendency

Investigation of electronic structure and chemical bonding of intermetallic Pd2HfIn: An ab-initio study

Science.gov (United States)

Bano, Amreen; Gaur, N. K.

2018-05-01

Ab-initio calculations are carried out to study the electronic and chemical bonding properties of Intermetallic full Heusler compound Pd2HfIn which crystallizes in F-43m structure. All calculations are performed by using density functional theory (DFT) based code Quantum Espresso. Generalized gradient approximations (GGA) of Perdew- Burke- Ernzerhof (PBE) have been adopted for exchange-correlation potential. Calculated electronic band structure reveals the metallic character of the compound. From partial density of states (PDoS), we found the presence of relatively high intensity electronic states of 4d-Pd atom at Fermi level. We have found a pseudo-gap just abouve the Fermi level and N(E) at Fermi level is observed to be 0.8 states/eV, these finding indicates the existence of superconducting character in Pd2HfIn.

Chemical characteristics and fatty acid profile of butterfly tree seed oil (Bauhinia purpurea L)

Science.gov (United States)

Soetjipto, H.; Riyanto, C. A.; Victoria, T.

2018-04-01

Butterfly tree (Kachnar) in Indonesia is only used as ornamental plants in garden, park, and roadsides. The seed of Butterfly tree was extracted with n-hexane and physicochemical properties were determined based on Standard Nasional Indonesia (SNI) 01-3555-1998 while the oil chemical composition was determined using GC-MS. The result showed that yield of the oil as 57.33±1.14 % (w/w) and the chemical characteristic of seed oil include acid value (13.7.8±0.23 mg KOH/g) saponification value (153.32±1.85 mg KOH/g), peroxide value (43.51±0.57. mg KOH/g). The butterfly tree seed oil showed that linoleic acid (28.11 %), palmitic acid (29.2%), oleic acid (19.82%) and stearic acid (10.7.4 %) were the main fatty acids in the crude seed oils. Minor amounts of neophytadiena and arachidic acid were also identified.

Characterization of electronic structures from CdS/Si nanoheterostructure array based on silicon nanoporous pillar array

Energy Technology Data Exchange (ETDEWEB)

Li, Yong, E-mail: liyong@pdsu.edu.cn [Department of Physics and Solar Energy Research Center, Pingdingshan University, Pingdingshan 467000 (China); Song, Xiao Yan [Department of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou 450045 (China); Song, Yue Li; Ji, Peng Fei; Zhou, Feng Qun; Tian, Ming Li; Huang, Hong Chun [Department of Physics and Solar Energy Research Center, Pingdingshan University, Pingdingshan 467000 (China); Li, Xin Jian [Department of Physics and Laboratory of Material Physics, Zhengzhou University, Zhengzhou 450052 (China)

2016-02-15

Highlights: • CdS/Si nanoheterostructure array has been fabricated through a CBD method. • The electronic properties have been investigated by the I–V and C–V techniques. • The onset voltages, characteristic frequency and built-in potential are investigated. • The electronic structures can be tuned through the annealing treatments. - Abstract: The electronic properties of heterostructures are very important to its applications in the field of optoelectronic devices. Understanding and control of electronic properties are very necessary. CdS/Si nanoheterostructure array have been fabricated through growing CdS nanocrystals on the silicon nanoporous pillar array using a chemical bath deposition method. The electronic properties of CdS nanoheterostructure array have been investigated by the current–voltage, complex impedance spectroscopy and capacitance–voltage techniques. The onset voltages, characteristic frequency and built-in potential are gradually increased with increasing the annealing temperature. It is indicated that the electronic structures of CdS/Si nanoheterostructure array can be tuned through the annealing treatments.

Characterization of electronic structures from CdS/Si nanoheterostructure array based on silicon nanoporous pillar array

International Nuclear Information System (INIS)

Li, Yong; Song, Xiao Yan; Song, Yue Li; Ji, Peng Fei; Zhou, Feng Qun; Tian, Ming Li; Huang, Hong Chun; Li, Xin Jian

2016-01-01

Highlights: • CdS/Si nanoheterostructure array has been fabricated through a CBD method. • The electronic properties have been investigated by the I–V and C–V techniques. • The onset voltages, characteristic frequency and built-in potential are investigated. • The electronic structures can be tuned through the annealing treatments. - Abstract: The electronic properties of heterostructures are very important to its applications in the field of optoelectronic devices. Understanding and control of electronic properties are very necessary. CdS/Si nanoheterostructure array have been fabricated through growing CdS nanocrystals on the silicon nanoporous pillar array using a chemical bath deposition method. The electronic properties of CdS nanoheterostructure array have been investigated by the current–voltage, complex impedance spectroscopy and capacitance–voltage techniques. The onset voltages, characteristic frequency and built-in potential are gradually increased with increasing the annealing temperature. It is indicated that the electronic structures of CdS/Si nanoheterostructure array can be tuned through the annealing treatments.

Quantum chemical analysis of the electronic structure and Moessbauer spectra parameters for low spin cyanide- and pyridine-hemichromes

International Nuclear Information System (INIS)

Khleskov, V.I.; Kolpakov, E.V.; Smirnov, A.B.

1992-01-01

The work contains results of quantum-chemical calculations of electronic structure and Moessbauer spectra parameters for low spin S=1/2 hexa-coordinated ferri-porphyrin complexes with cyanide (CN) and pyridine (Py) as axial ligands. Theoretical results made it possible to explain experimentally observed regularity of anomalous quadrupole splitting decrease after substitution of Py-ligands by CN. Comparison of theoretical and experimental data indicated that 2 E g must be the ground state of investigated hemichromes. In this state unpaired electron symmetrically occupies d π -orbitals of Fe-ion. (orig.)

Chemical dynamics of the first proton-coupled electron transfer of water oxidation on TiO2 anatase.

Science.gov (United States)

Chen, Jia; Li, Ye-Fei; Sit, Patrick; Selloni, Annabella

2013-12-18

Titanium dioxide (TiO2) is a prototype, water-splitting (photo)catalyst, but its performance is limited by the large overpotential for the oxygen evolution reaction (OER). We report here a first-principles density functional theory study of the chemical dynamics of the first proton-coupled electron transfer (PCET), which is considered responsible for the large OER overpotential on TiO2. We use a periodic model of the TiO2/water interface that includes a slab of anatase TiO2 and explicit water molecules, sample the solvent configurations by first principles molecular dynamics, and determine the energy profiles of the two electronic states involved in the electron transfer (ET) by hybrid functional calculations. Our results suggest that the first PCET is sequential, with the ET following the proton transfer. The ET occurs via an inner sphere process, which is facilitated by a state in which one electronic hole is shared by the two oxygen ions involved in the transfer.

Analysis of electrical and microstructural characteristics of a ZnO-based varistor doped with rare earth oxide

International Nuclear Information System (INIS)

Andrade, J.M. de; Dias, R.; Furtado, J.G. de M.; Assuncao, F.C.R.

2010-01-01

Varistor is a semiconductor device, used in the protection of electrical systems, characterized to have a high no-linear electric resistance. Its properties are directly dependents of its chemical composition and microstructural characteristics. In this work were analyzed microstructural and electrical characteristics of a ZnO-based varistor doped with rare earth oxide, with chemical composition (mol%) 98,5.ZnO - 0,3.Pr 6 O 11 - 0,2.Dy 2 O 3 - 0,9.Co 2 O 3 - 0,1.Cr 2 O 3 . X-ray diffraction for phase characterization, scanning electron microscopy and energy dispersive X-ray spectroscopy were used for microstructural analysis. Measurement of average grain size and electrical and dielectric characteristics complete the characterization. The results show the formation of biphasic microstructure and with high densification, presenting relevant varistors characteristics but that would need improvements.(author)

The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

International Nuclear Information System (INIS)

Fazleev, N. G.; Jung, E.; Weiss, A. H.

2009-01-01

Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M 4,5 N 1 N 2,3 , M 2,3 M 4,5 M 4,5 , M 2,3 M 4,5 V, and M 1 M 4,5 M 4,5 Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculations of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2x1), (2x2), and (4x2) reconstructions, and for Ge(111) surface with c(2x8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2x1) and Si(111)-(7x7) surfaces.

Physico-Chemical Characteristics of Pollinated and Non Pollinated Date Fruit of District Khairpur, Sindh, Pakistan

Directory of Open Access Journals (Sweden)

Wahid Bux Jatoi

2012-12-01

Full Text Available Elemental patterns are often used for the classification or identification of date fruit varieties. Five ripening stages of six date varieties were collected and studied from the pre ripening to the post ripening stage. Pollinated and non-pollinated date fruit of the same varieties were compared for their physical and chemical parameters. Physical parameters such as size, mass, colour, moisture, and pH were measured. In case of chemical characteristics the mineral composition of six different varieties of district Khairpur dates palm (Phoenix dactylifera L. fruit (Gorho, Asul Khurmo, Nur Aseel, Ghuray Wari, Toto, and Allah Wari were analysed using Atomic Absorption Spectroscopy (AAS. Generally, size, moisture and mineral content of the pollinated fruit increased up to 3rd and 4th stage then declined.

Effect of electron beam irradiation on viscosity/temperature characteristics of cellulose derivatives

International Nuclear Information System (INIS)

Mastro, N.L. del; Villavicencio, A.L.C.; Yamasaki, M.C.R.

1991-11-01

The direct relationship between intrinsic viscosity and molecular weight of polymers allowed to attend the aggregation, cross-linking and degradation processes induced by electron beam irradiation on carboxymethylcellulose and hydroxiethylcellulose in aqueous solutions. The changes in viscosity were related to irradiation doses from 2.5x10 4 Gy to 25x10 4 Gy at 5 0 C, 25 0 C, 50 0 C and 75 0 C measured at different intervals after irradiation. The results showed the viscosity decrease characteristics as a function of those parameters for each one of the polymers. (author)

Large-Area Chemical Vapor Deposited MoS2 with Transparent Conducting Oxide Contacts toward Fully Transparent 2D Electronics

KAUST Repository

Dai, Zhenyu

2017-09-08

2D semiconductors are poised to revolutionize the future of electronics and photonics, much like transparent oxide conductors and semiconductors have revolutionized the display industry. Herein, these two types of materials are combined to realize fully transparent 2D electronic devices and circuits. Specifically, a large-area chemical vapor deposition process is developed to grow monolayer MoS2 continuous films, which are, for the first time, combined with transparent conducting oxide (TCO) contacts. Transparent conducting aluminum doped zinc oxide contacts are deposited by atomic layer deposition, with composition tuning to achieve optimal conductivity and band-offsets with MoS2. The optimized process gives fully transparent TCO/MoS2 2D electronics with average visible-range transmittance of 85%. The transistors show high mobility (4.2 cm2 V−1 s−1), fast switching speed (0.114 V dec−1), very low threshold voltage (0.69 V), and large switching ratio (4 × 108). To our knowledge, these are the lowest threshold voltage and subthreshold swing values reported for monolayer chemical vapor deposition MoS2 transistors. The transparent inverters show fast switching properties with a gain of 155 at a supply voltage of 10 V. The results demonstrate that transparent conducting oxides can be used as contact materials for 2D semiconductors, which opens new possibilities in 2D electronic and photonic applications.

Conformational, structural, vibrational, electronic and quantum chemical investigations of cis-2-methoxycinnamic acid

Science.gov (United States)

Arjunan, V.; Anitha, R.; Marchewka, M. K.; Mohan, S.; Yang, Haifeng

2015-01-01

The Fourier transform infrared (FTIR) and FT-Raman spectra of cis-2-methoxycinnamic acid have been measured in the range 4000-400 and 4000-100 cm-1, respectively. Complete vibrational assignment and analysis of the fundamental modes of the compound were carried out using the observed FTIR and FT-Raman data. The geometry was optimised without any symmetry constrains using the DFT/B3LYP method utilising 6-311++G∗∗ and cc-pVTZ basis sets. The thermodynamic stability and chemical reactivity descriptors of the molecule have been determined. The exact environment of C and H of the molecule has been analysed by NMR spectroscopies through 1H and 13C NMR chemical shifts of the molecule. The energies of the frontier molecular orbitals have also been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. The vibrational frequencies which were determined experimentally are compared with those obtained theoretically from density functional theory (DFT) gradient calculations employing the B3LYP/6-311++G∗∗ and cc-pVTZ methods.

The origin of black magnetic spherules through a study of their chemical, physical and mineralogieal characteristics

Directory of Open Access Journals (Sweden)

M. TAGLIAZUCCA

1976-06-01

Full Text Available The origin of black magnetic spherules sampled in air,
and in ancient and recent marine sediments has been investigated.
Experiments were performed reproducing in laboratory the same processes undergone by the cosmic dust during its flight through the atmosphere.
Spherules similar in size, shape, chemical and mineralogieal characteristics to the natural ones have been obtained. It has been tested that hollow spherules can be also produced in the high atmosphere.
The bubble formed inside some black magnetic spherules by the decrease of solubility of oxygen at the melting point can be sometimes ejected from the rear side of the spherule producing secondary particles less than 10 pim is size.
The volcanic origin of black magnetic spherules has been excluded.
In fact ferromagnetic volcanic particulate matter present mineralogic,
chemical and structural characteristics different from that of black magnetic spherules.
Also the use of some parameters is suggested to discriminate industrial
ferromagnetic spherules from black magnetic spherules of extraterrestrial origin.
Samples from sediments old enough to exclude industrial contamination
allow to calculate the earth accretion in cosmic dust.

An infrared free-electron laser for the Chemical Dynamics Research Laboratory

Energy Technology Data Exchange (ETDEWEB)

Vaughan, D. (comp.)

1992-04-01

This document describes a free-electron laser (FEL) proposed as part of the Chemical Dynamics Research Laboratory (CDRL), a user facility that also incorporates several advanced lasers of conventional design and two beamlines for the ALS. The FEL itself addresses the needs of the chemical sciences community for a high-brightness, tunable source covering a broad region of the infrared spectrum -- from 3 to 50 {mu}m. All of these sources, together with a variety of sophisticated experimental stations, will be housed in a new building to be located adjacent to the ALS. The radiation sources can be synchronized to permit powerful two-color, pump-probe experiments that will further our fundamental understanding of chemical dynamics at the molecular level, especially those aspects relevant to practical issues in combustion chemistry. The technical approach adopted in this design makes use of superconducting radiofrequency (SCRF) accelerating structures. The primary motivation for adopting this approach was to meet the user requirement for wavelength stability equal to one part in 10{sup 4}. Previous studies concluded that a wavelength stability of only one part in 10{sup 3} could be achieved with currently available room-temperature technology. In addition, the superconducting design operates in a continuous-wave (cw) mode and hence offers considerably higher average optical output power. It also allows for various pulse-gating configurations that will permit simultaneous multiuser operations. A summary of the comparative performance attainable with room-temperature and superconducting designs is given. The FEL described in this report provides a continuous train of 30-ps micropulses, with 100{mu}J of optical energy per micropulse, at a repetition rate of 6.1 MHz. The device can also deliver pulses at a cw repetition rate of 12.2 MHz, with a peak power of 50 {mu}J per micropulse. 70 ref.

Pulsed electron-beam-sustained discharge in oxygen-containing gas mixtures: electrical characteristics, spectroscopy,and singlet oxygen yield

International Nuclear Information System (INIS)

Vagin, Nikolai P; Ionin, Andrei A; Klimachev, Yu M; Kotkov, A A; Podmar'kov, Yu P; Seleznev, L V; Sinitsyn, D V; Frolov, M P; Yuryshev, Nikolai N; Kochetov, Igor' V; Napartovich, A P; Hager, G D

2004-01-01

The electrical and spectroscopic characteristics of electron-beam-sustained discharge (EBSD) in oxygen and oxygen-containing gas mixtures are studied experimentally under gas pressures up to 100 Torr in a large excitation volume (∼18 L). It is shown that the EBSD in pure oxygen and its mixtures with inert gases is unstable and is characterised by a small specific energy contribution. The addition of small amounts (∼1%-10%) of carbon monoxide or hydrogen to oxygen or its mixtures with inert gases considerably improves the stability of the discharge, while the specific energy contribution W increases by more then an order of magnitude, achieving ∼6.5 kJ L -1 atm -1 per molecular component of the gas mixture. A part of the energy supplied to the EBSD is spent to excite vibrational levels of molecular additives. This was demonstrated experimentally by the initiation of a CO laser based on the O 2 : Ar : CO = 1 : 1 : 0.1 mixture. Experimental results on spectroscopy of the excited electronic states O 2 (a 1 Δ g ) and O 2 (b 1 Σ g + ), of oxygen formed in the EBSD are presented. A technique was worked out for measuring the concentration of singlet oxygen in the O 2 (a 1 Δ g ) state in the afterglow of the pulsed EBSD by comparing with the radiation intensity of singlet oxygen of a given concentration produced in a chemical generator. Preliminary measurements of the singlet-oxygen yield in the EBSD show that its value ∼3% for W ∼ 1.0 kJ L -1 atm -1 is in agreement with the theoretical estimate. Theoretical calculations performed for W ∼ 6.5 kJ L -1 atm -1 at a fixed temperature show that the singlet-oxygen yield may be ∼20%, which is higher than the value required to achieve the lasing threshold in an oxygen-iodine laser at room temperature. (laser applications and other topics in quantum electronics)

Automatic Segmentation and Quantification of Filamentous Structures in Electron Tomography.

Science.gov (United States)

Loss, Leandro A; Bebis, George; Chang, Hang; Auer, Manfred; Sarkar, Purbasha; Parvin, Bahram

2012-10-01

Electron tomography is a promising technology for imaging ultrastructures at nanoscale resolutions. However, image and quantitative analyses are often hindered by high levels of noise, staining heterogeneity, and material damage either as a result of the electron beam or sample preparation. We have developed and built a framework that allows for automatic segmentation and quantification of filamentous objects in 3D electron tomography. Our approach consists of three steps: (i) local enhancement of filaments by Hessian filtering; (ii) detection and completion (e.g., gap filling) of filamentous structures through tensor voting; and (iii) delineation of the filamentous networks. Our approach allows for quantification of filamentous networks in terms of their compositional and morphological features. We first validate our approach using a set of specifically designed synthetic data. We then apply our segmentation framework to tomograms of plant cell walls that have undergone different chemical treatments for polysaccharide extraction. The subsequent compositional and morphological analyses of the plant cell walls reveal their organizational characteristics and the effects of the different chemical protocols on specific polysaccharides.

Electron and positron characteristics in Al_xIn_1_−_xSb: A comparative study performed by using a pseudopotential approach

International Nuclear Information System (INIS)

Fares, Nour El-Houda; Bouarissa, Nadir

2016-01-01

Highlights: • Electron band structure and related properties in Al_xIn_1_−_xSb. • Positron characteristics in Al_xIn_1_−_xSb. • Differences and similarities between electronic and positronic properties in Al_xIn_1_−_xSb. • Investigation of positron annihilation in Al_xIn_1_−_xSb semiconductor alloys. - Abstract: Based on a pseudopotential approach under the virtual-crystal approximation, the electron and positron band structures and their derived properties have been investigated for zinc-blende Al_xIn_1_−_xSb ternary semiconductor alloys. The effect of compositional disorder on electron and positron band structures has been examined and discussed. Moreover, the differences and the similarities between electron and positron characteristics in the material system of interest have been analyzed. The present study reveals possibilities for the investigation of the positron annihilation in Al_xIn_1_−_xSb.

Interfacial chemical and electronic structure of cobalt deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT)

Science.gov (United States)

Zhu, Menglong; Lyu, Lu; Niu, Dongmei; Zhang, Hong; Zhang, Yuhe; Liu, Peng; Gao, Yongli

2017-04-01

Interfacial chemical and electronic structure of Co deposition on 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) was investigated by ultraviolet photoemission spectroscopy (UPS) and X-ray photoemission spectroscopy (XPS). Chemical reaction of cobalt with C8-BTBT at the interface is confirmed by a new component of S 2s peak which is electron-rich compared to the original one of C8-BTBT molecules. Intensity evolution of the core level in XPS indicates that the adsorption of Co atoms is mainly at the surface without deeper diffusion into C8-BTBT layer. Initial deposition of Co atoms downward shifts the core levels of C8-BTBT by electron transfer from isolated Co atoms or clusters to the C8-BTBT. Further deposition of Co upward shifts the core levels of C8-BTBT because of the neutralization of the thicker metal Co film. Our investigation suggests an inert buffer layer inserted to protect organic layer from reaction or decomposition and to lower the carrier barriers for both the electron and hole to improve the performance of Co/C8-BTBT-based OFETs.

Estimation of chemical carcass composition from 8th rib characteristics with Belgian blue double-muscled bulls.

Science.gov (United States)

De Campeneere, S; Fiems, L O; Van de Voorde, G; Vanacker, J M; Boucque, C V; Demeyer, D I

1999-01-01

Characteristics from the 8th rib cut: chemical composition, tissue composition after dissection, specific gravity (SG) and m. longissimus thoracis (LT) composition, collected on 17 Belgian Blue double-muscled fattening bulls were used to generate equations for predicting chemical carcass composition. Carcass composition was best predicted from chemical analysis of the 8th rib cut and the empty body weight (EBW) of the bull. Carcass chemical fat content (CCF, kg) was predicted from the 8th rib cut fat content (ether extract, 8RF, kg) by the following regression: CCF=1.94+27.37 8RF (R(2)=0.957, RSD =9.89%). A higher coefficient was found for carcass water (CCW, kg) predicted from 8RF and EBW: CCW=-2.26+0.28 EBW-34.28 8RF (R(2)=0.997, RSD=1.48%). No parameter was found to improve the prediction of CCP from EBW solely: CCP=-0.86+0.08 EBW (R(2) =0.992, RSD=2.61%). Prediction equations based solely on LT composition had low R(2) values of between 0.38 and 0.67, whereas no significant equations were found using SG. However, equations based on EBW had R(2) values between 0.78 and 0.99. Chemical components of the 8th rib cut in combination with EBW are most useful in predicting the chemical composition of the carcass of Belgian-Blue double-muscled bulls.

Influence of High Hydrostatic Pressure Technology on Wine Chemical and Sensorial Characteristics: Potentialities and Drawbacks.

Science.gov (United States)

Nunes, Cláudia; Santos, Mickael C; Saraiva, Jorge A; Rocha, Sílvia M; Coimbra, Manuel A

During last years, scientific research on high hydrostatic pressure (HHP) as a nonthermal processing technology for preservation or aging of wine has increased substantially. HHP between 200 and 500MPa is able to inactivate bacteria and yeasts in red and white wines, suggesting that it may be used for wine preservation. However, these treatments have been shown to promote changes on sensorial and physicochemical characteristics in both red and white wines, not immediately in the first month, but along storage. The changes are observed in wine color, aroma, and taste due mainly to reactions of phenolic compounds, sugars, and proteins. These reactions have been associated with those observed during wine aging, leading to aged-like wine characteristics perceived by sensorial analysis. This chapter will present the influence of HHP technology on wine chemical and sensorial characteristics, criticaly discussing its potentialities and drawbacks. The appropriate use of HHP, based on the scientific knowledge of the reactions occuring in wine promoted by HHP, will allow to exploit this technology for wine production achieving distinct characteristics to address particular market and consumer demands. © 2017 Elsevier Inc. All rights reserved.

Current transport and capacitance-voltage characteristics of an n-PbTe/p-GaP heterojunction prepared using the electron beam deposition technique

Science.gov (United States)

Nasr, Mahmoud; El Radaf, I. M.; Mansour, A. M.

2018-04-01

In this study, a crystalline n-PbTe/p-GaP heterojunction was fabricated using the electron beam deposition technique. The structural properties of the prepared heterojunction were examined by X-ray diffraction and scanning electron microscopy. The dark current-voltage characteristics of the heterojunction were investigated at different temperatures ranging from 298 to 398 K. The rectification factor, series resistance, shunt resistance, diode ideality factor, and effective barrier height (ϕb) were determined. The photovoltaic parameters were identified based on the current density-voltage characteristics under illumination. The capacitance-voltage characteristics showed that the junction was abrupt in nature.

Factors contributing to perceptions about policies regarding the electronic monitoring of sex offenders: the role of demographic characteristics, victimization experiences, and social disorganization.

Science.gov (United States)

Button, Deeanna M; Tewksbury, Richard; Mustaine, Elizabeth E; Payne, Brian K

2013-01-01

The purpose of this article is to explore factors contributing to perceptions about electronic monitoring policies governing sex offenders. Guided by Tannenbaum's theory of attribution and Shaw and McKay's theory of social disorganization, the authors examine the influence of demographic characteristics, victimization experiences, and neighborhood characteristics on perceptions about policies regarding the electronic monitoring of sex offenders. Ordinary least squares regression and logistic regression analyses of stratified telephone survey data reveal that factors associated with favorable views on the use of global positioning satellite monitoring for registered sex offenders appear to stem primarily from individuals' demographic characteristics. Experiential and neighborhood factors do provide some influence over individuals' views of electronic monitoring policies for sex offenders. Theoretical and policy implications are discussed.

Evaluation of quantum-chemical methods of radiolysis stability for macromolecular structures

International Nuclear Information System (INIS)

Postolache, Cristian; Matei, Lidia

2005-01-01

The behavior of macromolecular structures in ionising fields was analyzed by quantum-chemical methods. In this study the primary radiolytic effect was analyzed using a two-step radiolytic mechanism: a) ionisation of molecule and spatial redistribution of atoms in order to reach a minimum value of energy, characteristic to the quantum state; b) neutralisation of the molecule by electron capture and its rapid dissociation into free radicals. Chemical bonds suspected to break are located in the distribution region of LUMO orbital and have minimal homolytic dissociation energies. Representative polymer structures (polyethylene, polypropylene, polystyrene, poly α and β polystyrene, polyisobutylene, polytetrafluoroethylene, poly methylsiloxanes) were analyzed. (authors)

Potential of Electronic Plastic Waste as a Source of Raw Material and Energy Recovery

International Nuclear Information System (INIS)

Norazli Othman; Nor Ezlin Ahmad Basri; Lariyah Mohd Sidek

2009-01-01

Nowadays, the production of electronic equipment is one of the fastest growing industrial activities in this world. The increase use of plastic in this sector resulted in an increase of electronic plastic waste. Basically, electronic plastic material contains various chemical elements which act as a flame retardant when electronic equipment is operated. In general, the concept of recycling electronic plastic waste should be considered in order to protect the environment. For this purpose, research has been conducted to different resins of electronic plastic waste to identify the potential of electronic plastic waste as a source of raw material and energy recovery. This study was divided into two part for example determination of physical and chemical characteristics of plastic resins and calculation of heating value for plastic resins based on Dulong formula. Results of this research show that the average calorific value of electronic waste is 30,872.42 kJ/ kg (7,375 kcal/ kg). The emission factor analysis showed that the concentration of emission value that might occur during waste management activities is below the standard set by the Environment Quality Act 1974. Basically, this research shows that electronic plastic waste has the potential to become the source of raw material and energy recovery. (author)

Insights into the mechanisms on chemical reactions: reaction paths for chemical reactions

International Nuclear Information System (INIS)

Dunning, T.H. Jr.; Rosen, E.; Eades, R.A.

1987-01-01

We report reaction paths for two prototypical chemical reactions: Li + HF, an electron transfer reaction, and OH + H 2 , an abstraction reaction. In the first reaction we consider the connection between the energetic terms in the reaction path Hamiltonian and the electronic changes which occur upon reaction. In the second reaction we consider the treatment of vibrational effects in chemical reactions in the reaction path formalism. 30 refs., 9 figs

Development of portable mass spectrometer with electron cyclotron resonance ion source for detection of chemical warfare agents in air.

Science.gov (United States)

Urabe, Tatsuya; Takahashi, Kazuya; Kitagawa, Michiko; Sato, Takafumi; Kondo, Tomohide; Enomoto, Shuichi; Kidera, Masanori; Seto, Yasuo

2014-01-01

A portable mass spectrometer with an electron cyclotron resonance ion source (miniECRIS-MS) was developed. It was used for in situ monitoring of trace amounts of chemical warfare agents (CWAs) in atmospheric air. Instrumental construction and parameters were optimized to realize a fast response, high sensitivity, and a small body size. Three types of CWAs, i.e., phosgene, mustard gas, and hydrogen cyanide were examined to check if the mass spectrometer was able to detect characteristic elements and atomic groups. From the results, it was found that CWAs were effectively ionized in the miniECRIS-MS, and their specific signals could be discerned over the background signals of air. In phosgene, the signals of the 35Cl+ and 37Cl+ ions were clearly observed with high dose-response relationships in the parts-per-billion level, which could lead to the quantitative on-site analysis of CWAs. A parts-per-million level of mustard gas, which was far lower than its lethal dosage (LCt50), was successfully detected with a high signal-stability of the plasma ion source. It was also found that the chemical forms of CWAs ionized in the plasma, i.e., monoatomic ions, fragment ions, and molecular ions, could be detected, thereby enabling the effective identification of the target CWAs. Despite the disadvantages associated with miniaturization, the overall performance (sensitivity and response time) of the miniECRIS-MS in detecting CWAs exceeded those of sector-type ECRIS-MS, showing its potential for on-site detection in the future. Copyright © 2013 Elsevier B.V. All rights reserved.

Polyelectrolytes processing at pilot scale level by electron beam irradiation

International Nuclear Information System (INIS)

Martin, D.; Cirstea, E.; Craciun, G.; Ighigeanu, D.; Marin, Gheorghe G.

2002-01-01

Three years of research, combined with engineering activities, have culminated in the development of a new method of electron beam processing applicable up to the pilot scale level, namely, the polyelectrolytes (acrylamide - acrylic acid copolymers) electron beam processing. This new radiation processing method has been achieved by bilateral co-operation between the National Institute for Laser, Plasma and Radiation Physics (NILPRP) and the Electrical Design and Research Institute, EDRI - Bucharest. The polyelectrolytes electron beam (EB) processing was put in operation at EDRI, where, recently, an industrial electron accelerator of 2 MeV and 20 kW, manufactured by Institute of Nuclear Physics, Novosibirsk, Russia was installed in a specially designed irradiation facility. Automatic start-up via computer control makes it compatible with industrial processing. According to the first conclusions, which resulted from our experimental research with regard to acrylamide - acrylic acid copolymers production by EB irradiation, the proper physical and chemical characteristics can be well controlled by chemical composition to be treated and by suitable adjustment of absorbed dose and absorbed dose rate. So, it was possible to obtain a very large area of characteristics and therefore a large area of applications. The conversion coefficient is very high (> 98%) and concentration of the residual monomer is under 0.05%. The tests applied to some wastewaters from the vegetable oil plants demonstrated that the fatty substances, matters in suspension, chemical oxygen demand and biological oxygen demand over 5 days were much reduced, in comparison with classical treatment. Also, sedimentation time was around four times smaller and sediment volume was 60% smaller than the values obtained in case of classical treatment. The necessary EB absorbed dose for the acrylamide - acrylic acid aqueous solution polymerization, established by optimization of chemical composition and irradiation

The molecular structure of 4-methylpyridine-N-oxide: Gas-phase electron diffraction and quantum chemical calculations

Science.gov (United States)

Belova, Natalya V.; Girichev, Georgiy V.; Kotova, Vitaliya E.; Korolkova, Kseniya A.; Trang, Nguyen Hoang

2018-03-01

The molecular structure of 4-methylpiridine-N-oxide, 4-MePyO, has been studied by gas-phase electron diffraction monitored by mass spectrometry (GED/MS) and quantum chemical (DFT) calculations. Both, quantum chemistry and GED analyses resulted in CS molecular symmetry with the planar pyridine ring. Obtained molecular parameters confirm the hyperconjugation in the pyridine ring and the sp2 hybridization concept of the nitrogen and carbon atoms in the ring. The experimental geometric parameters are in a good agreement with the parameters for non-substituted N-oxide and reproduced very closely by DFT calculations. The presence of the electron-donating CH3 substituent in 4-MePyO leads to a decrease of the ipso-angle and to an increase of r(N→O) in comparison with the non-substituted PyO. Electron density distribution analysis has been performed in terms of natural bond orbitals (NBO) scheme. The nature of the semipolar N→O bond is discussed.

The impact of semiconductor, electronics and optoelectronic industries on downstream perfluorinated chemical contamination in Taiwanese rivers.

Science.gov (United States)

Lin, Angela Yu-Chen; Panchangam, Sri Chandana; Lo, Chao-Chun

2009-04-01

This study provides the first evidence on the influence of the semiconductor and electronics industries on perfluorinated chemicals (PFCs) contamination in receiving rivers. We have quantified ten PFCs, including perfluoroalkyl sulfonates (PFASs: PFBS, PFHxS, PFOS) and perfluoroalkyl carboxylates (PFCAs: PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUnA, PFDoA) in semiconductor, electronic, and optoelectronic industrial wastewaters and their receiving water bodies (Taiwan's Keya, Touchien, and Xiaoli rivers). PFOS was found to be the major constituent in semiconductor wastewaters (up to 0.13 mg/L). However, different PFC distributions were found in electronics plant wastewaters; PFOA was the most significant PFC, contributing on average 72% to the effluent water samples, followed by PFOS (16%) and PFDA (9%). The distribution of PFCs in the receiving rivers was greatly impacted by industrial sources. PFOS, PFOA and PFDA were predominant and prevalent in all the river samples, with PFOS detected at the highest concentrations (up to 5.4 microg/L).

Effects of chemical form of sodium on the product characteristics of alkali lignin pyrolysis.

Science.gov (United States)

Guo, Da-liang; Yuan, Hong-you; Yin, Xiu-li; Wu, Chuang-zhi; Wu, Shu-bin; Zhou, Zhao-qiu

2014-01-01

The effects of Na as organic bound form or as inorganic salts form on the pyrolysis products characteristics of alkali lignin were investigated by using thermogravimetric analyzer coupled with Fourier transform infrared spectrometry (TG-FTIR), tube furnace and thermo-gravimetric analyzer (TGA). Results of TG-FTIR and tube furnace indicated that the two chemical forms Na reduced the releasing peak temperature of CO and phenols leading to the peak temperature of the maximum mass loss rate shifted to low temperature zone. Furthermore, organic bound Na obviously improved the elimination of alkyl substituent leading to the yields of phenol and guaiacol increased, while inorganic Na increased the elimination of phenolic hydroxyl groups promoting the formation of ethers. It was also found the two chemical forms Na had different effects on the gasification reactivity of chars. For inorganic Na, the char conversion decreased with increasing the char forming temperature, while organic bound Na was opposite. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Electron beam effects in auger electron spectroscopy and scanning electron microscopy

International Nuclear Information System (INIS)

Fontaine, J.M.; Duraud, J.P.; Le Gressus, C.

1979-01-01

Electron beam effects on Si(100) and 5% Fe/Cr alloy samples have been studied by measurements of the secondary electron yield delta, determination of the surface composition by Auger electron spectroscopy and imaging with scanning electron microscopy. Variations of delta as a function of the accelerating voltage Esub(p) (0.5 -9 Torr has no effect on technological samples covered with their reaction layers; the sensitivities to the beam depend rather on the earlier mechanical, thermal and chemical treatment of the surfaces. (author)

The one-electron oxidation of a dithiolate molecule: The importance of chemical intuition

International Nuclear Information System (INIS)

Bushnell, Eric A. C.; Burns, Thomas D.; Boyd, Russell J.

2014-01-01

A series of nine commonly used density functional methods were assessed to accurately predict the oxidation potential of the (C 2 H 2 S 2 −2 /C 2 H 2 S 2 •− ) redox couple. It was found that due to their greater tendency for charge delocalization the GGA functionals predict a structure where the radical electron is delocalized within the alkene backbone of C 2 H 2 S 2 •− , whereas the hybrid functionals and the reference QCISD/cc-pVTZ predict that the radical electron remains localized on the sulfurs. However, chemical intuition suggests that the results obtained with the GGA functionals should be correct. Indeed, with the use of the geometries obtained at the HCTH/6-311++G(3df,3pd) level of theory both the QCISD and hybrid DFT methods yield a molecule with a delocalized electron. Notably, this new molecule lies at least 53 kJ mol −1 lower in energy than the previously optimized one that had a localized radical. Using these new structures the calculated oxidation potential was found to be 2.71–2.97 V for the nine DFT functionals tested. The M06-L functional provided the best agreement with the QCISD/cc-pVTZ reference oxidation potential of 3.28 V

The one-electron oxidation of a dithiolate molecule: The importance of chemical intuition

Energy Technology Data Exchange (ETDEWEB)

Bushnell, Eric A. C.; Burns, Thomas D.; Boyd, Russell J., E-mail: russell.boyd@dal.ca [Department of Chemistry, Dalhousie University, Halifax, Nova Scotia B3H 4R2 (Canada)

2014-05-14

A series of nine commonly used density functional methods were assessed to accurately predict the oxidation potential of the (C{sub 2}H{sub 2}S{sub 2}{sup −2}/C{sub 2}H{sub 2}S{sub 2}{sup •−}) redox couple. It was found that due to their greater tendency for charge delocalization the GGA functionals predict a structure where the radical electron is delocalized within the alkene backbone of C{sub 2}H{sub 2}S{sub 2}{sup •−}, whereas the hybrid functionals and the reference QCISD/cc-pVTZ predict that the radical electron remains localized on the sulfurs. However, chemical intuition suggests that the results obtained with the GGA functionals should be correct. Indeed, with the use of the geometries obtained at the HCTH/6-311++G(3df,3pd) level of theory both the QCISD and hybrid DFT methods yield a molecule with a delocalized electron. Notably, this new molecule lies at least 53 kJ mol{sup −1} lower in energy than the previously optimized one that had a localized radical. Using these new structures the calculated oxidation potential was found to be 2.71–2.97 V for the nine DFT functionals tested. The M06-L functional provided the best agreement with the QCISD/cc-pVTZ reference oxidation potential of 3.28 V.

Accurate quantum chemical calculations

Science.gov (United States)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

1989-01-01

An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization.

Science.gov (United States)

Lin, Qisheng; Miller, Gordon J

2018-01-16

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e - /atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Therefore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate. During our efforts to find quasicrystals and crystalline approximants by valence electron tuning near 2.0 e - /atom, we observed that compositions close to those of quasicrystals are exceptional sources for unprecedented valence electron-poor polar intermetallics, e.g., Ca 4 Au 10 In 3 containing (Au 10 In 3 ) wavy layers, Li 14.7 Mg 36.8 Cu 21.5 Ga 66 adopting a type IV clathrate framework, and Sc 4 Mg x Cu 15-x Ga 7.5 that is incommensurately modulated. In particular, exploratory syntheses of AAu 3 T (A = Ca, Sr, Ba and T = Ge, Sn) phases led to interesting bonding features for Au, such as columns, layers, and lonsdaleite-type tetrahedral frameworks. Overall, the breadth of Au-rich polar intermetallics originates, in part, from significant relativistics effect on the valence electrons of Au, effects which result in greater 6s/5d orbital mixing, a small effective metallic radius, and an enhanced Mulliken electronegativity, all leading to ultimate enhanced binding with nearly all metals including itself. Two other successful strategies to mine electron-poor polar intermetallics include lithiation and "cation-rich" phases. Along these lines, we have studied lithiated Zn-rich compounds in which structural

Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log S{sub W}, log K{sub OA}, and log K{sub OW} with electron-correlation

Energy Technology Data Exchange (ETDEWEB)

Chayawan; Vikas, E-mail: qlabspu@pu.ac.in

2015-10-15

Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S{sub W}), octanol–water partition coefficient (log K{sub OW}) and octanol–air partition coefficient (log K{sub OA}) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients.

Electronic cigarette use: comparing smokers, vapers, and dual users on characteristics and motivational factors

OpenAIRE

Claire Schoren; Karin Hummel; Hein de Vries

2017-01-01

Introduction This study examined vaping behaviour, precursors of vaping, and motivational differences between smokers, dual users and vapers. The objectives were to assess a) vaping characteristics and reasons for use, b) differences in motivational factors and behavioural precursors associated with e-cigarette use, and c) socio-demographic and motivational factors associated with electronic cigarette use. Methods A cross-sectional survey among 259 vapers, 135 smokers, and 83 dual u...

Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

International Nuclear Information System (INIS)

Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

2000-01-01

The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

Observation of electron-transfer-mediated decay in aqueous solution

Science.gov (United States)

Unger, Isaak; Seidel, Robert; Thürmer, Stephan; Pohl, Marvin N.; Aziz, Emad F.; Cederbaum, Lorenz S.; Muchová, Eva; Slavíček, Petr; Winter, Bernd; Kryzhevoi, Nikolai V.

2017-07-01

Photoionization is at the heart of X-ray photoelectron spectroscopy (XPS), which gives access to important information on a sample's local chemical environment. Local and non-local electronic decay after photoionization—in which the refilling of core holes results in electron emission from either the initially ionized species or a neighbour, respectively—have been well studied. However, electron-transfer-mediated decay (ETMD), which involves the refilling of a core hole by an electron from a neighbouring species, has not yet been observed in condensed phase. Here we report the experimental observation of ETMD in an aqueous LiCl solution by detecting characteristic secondary low-energy electrons using liquid-microjet soft XPS. Experimental results are interpreted using molecular dynamics and high-level ab initio calculations. We show that both solvent molecules and counterions participate in the ETMD processes, and different ion associations have distinctive spectral fingerprints. Furthermore, ETMD spectra are sensitive to coordination numbers, ion-solvent distances and solvent arrangement.

Levels of inclusion in cassava bagasse chicken feed of slow growth: physical and chemical characteristics of meat

Directory of Open Access Journals (Sweden)

Aline Ferreira Amorim

2015-06-01

Full Text Available The purpose of this study the effect of inclusion levels (0, 10, 20 and 30% of cassava bagasse (BM to the diet on the physical and chemical parameters of raw and cooked meat thigh , drumstick and breast of chicken was to evaluate cutting hillbilly kind of lineage Label rouge® slaughtered at 84 days of age . Analyzes were performed in the laboratory of Animal Nutrition , Universidade Federal do Tocantins – UFT, Escola de Medicina Veterinária e Zootecnia , Campus Araguaína . Forty chicken carcasses, which were divided into half-carcases, half-carcases and 10 for analysis of the chemical composition of raw meat and the other 10 half-carcasses for analysis of chemical composition of cooked meat , they are included in these analyzes the crude protein (CP, ether extract ( EE, dry matter (DM and ash (CZ, with base on the percentage of dry matter, in addition to gross energy (GE and cooking losses. Analyzes were also conducted of the physical attributes of meat (color, pH and texture other 20 half-carcasses. The inclusion of BM in the diet of broilers caipira type cut and cooking affected (P <0.05 the chemical characteristics of meat. Observed in thigh meat linear reduction in the deposition of CZ and linear increase in deposition of PB. Drumstick meat in CP content increased up to the level of 17.22% inclusion of BM corresponding to the deposition of 84.21% CP; and lower levels of EE (19.21% was found in the estimated level of 21.33% inclusion of BM. In breast meat was observed deposition of 29.56% with 2.35% DM inclusion of BM deposition and 88.56% to 13.46% of CP inclusion of BM. However the physical characteristics of meat were not influenced by the levels of inclusion of BM. It is recommended, with base on the chemical composition of the meat, to use up the 20% level of inclusion of BM.

Characteristics of pitch angle distributions of relativistic electrons under the interaction with Pc5 waves in the inner magnetosphere

Science.gov (United States)

Kamiya, K.; Seki, K.; Saito, S.; Amano, T.; Yoshizumi, M.

2017-12-01

Radial transport of relativistic electrons in the inner magnetosphere has been considered as one of acceleration mechanisms of the outer radiation belt electrons and can be driven by the drift resonance with ULF waves in the Pc5 frequency range. The maximum changes of the electron in the radial distance (L) due to the drift resonance depend on the electron energy, pitch angle, and Pc5 wave structure. Those dependences are expected to form the characteristic pitch angle distributions (PADs) as a function of L and electron energy. In this study, we investigate PADs of relativistic electrons due to the drift resonance with a monochromatic Pc5 wave by using two simulation models of the inner magnetosphere: GEMSIS-Ring Current (RC) and GEMSIS-Radiation Belt (RB) models. The GEMSIS-RB simulations calculate guiding center trajectories of relativistic electrons in electric and magnetic fields obtained from the GEMSIS-RC model, which simulates a monochromatic Pc5 wave propagation in the inner magnetosphere. The results show the characteristic PADs depending on the energy and L, which is explicable with the pitch angle dependence of resonance conditions. At a fixed location, those PADs can change from pancake (90°peaked) to butterfly (two peaks in oblique PAs) distributions as the transport by the monochromatic Pc5 wave progresses. These butterfly distributions are seen in the L range where electrons with lower PAs satisfy the resonance condition. It is also found that the lower PA electron with a fixed magnetic moment can be transported deeper inside because of the PA changes to larger values through the adiabatic transport, which enables them to satisfy the efficient resonance condition in wider L range compared to the 90 degrees PA electrons.

Physical and chemical characteristics of goldenberry fruit (Physalis peruviana L.).

Science.gov (United States)

Yıldız, Gökçen; İzli, Nazmi; Ünal, Halil; Uylaşer, Vildan

2015-04-01

Some physical and chemical characteristics of goldenberry fruit (Physalis peruviana L.) were investigated. These characteristics are necessary for the design of equipments for harvesting, processing, transportation, sorting, separating and packing. The fruit length, diameter, geometric and arithmetic mean diameters, sphericity, surface area, projected areas (vertical-horizontal) and aspect ratio of goldenberries were determined as 17.52 mm, 17.31 mm, 17.33 mm, 17.38 mm, 98.9 %, 0.949 cm(2), 388.67-387.85 mm(2) and 0.988, respectively. The mass of fruit, bulk density, fruit density, porosity and fruit hardness were 3.091 g, 997.3 kg/m(3), 462.3 kg/m(3), 53.61 % and 8.01 N, respectively. The highest static coefficient of friction was observed on rubber surface, followed by stainless steel sheet, aluminum sheet, and plywood materials. The dry matter, water soluble dry matter, ash, protein, oil, carbohydrate, titratable acidity, pH, total sugar, reducing sugar, antioxidant capacity were 18.67 %, 14.17 %, 2.98 %, 1.66 %, 0.18 %, 13.86 %, 1.26 %, 6.07, 63.90 g/kg, 31.99 g/kg and 57.67 %, respectively. The fresh fruits have 145.22 mg gallic acid equivalent (GAE)/100 g total phenol content and skin colour data represented as L*, a*, b*, Chroma (C) and Hue angle (α) were 49.92, 25.11, 50.23, 56.12 and 63.48, respectively.

Physico-chemical characteristics of Anopheles culicifacies and Anopheles varuna breeding water in a dry zone stream in Sri Lanka

DEFF Research Database (Denmark)

Piyaratne, M K; Amerasinghe, F P; Amerasinghe, P H

2005-01-01

BACKGROUND & OBJECTIVES: Selected physico-chemical characteristics of flowing and pooled water in a stream that generated two malaria vectors, Anopheles culicifacies s.l. Giles and Anopheles varuna Iyengar, were investigated during August-September 1997 and July 1998 at the Upper Yan Oya watershed.......5% of 151 samples analysed were mosquito-positive. Logistic regression was used for statistical analysis. RESULTS: Among physico-chemical parameters, An. culicifacies (the major malaria vector in the country) was positively related only to temperature, and An. varuna (a secondary malaria vector) to calcium...

Excess electrons in reduced rutile and anatase TiO2

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Yin, Wen-Jin; Wen, Bo; Zhou, Chuanyao; Selloni, Annabella; Liu, Li-Min

2018-05-01

As a prototypical photocatalyst, TiO2 is a material of scientific and technological interest. In photocatalysis and other applications, TiO2 is often reduced, behaving as an n-type semiconductor with unique physico-chemical properties. In this review, we summarize recent advances in the understanding of the fundamental properties and applications of excess electrons in reduced, undoped TiO2. We discuss the characteristics of excess electrons in the bulk and at the surface of rutile and anatase TiO2 focusing on their localization, spatial distribution, energy levels, and dynamical properties. We examine specific features of the electronic states for photoexcited TiO2, for intrinsic oxygen vacancy and Ti interstitial defects, and for surface hydroxyls. We discuss similarities and differences in the behaviors of excess electrons in the rutile and anatase phases. Finally, we consider the effect of excess electrons on the reactivity, focusing on the interaction between excess electrons and adsorbates.