Problem in quasi-free scattering at high missing energy $sup 40$Ca as an example

Energy Technology Data Exchange (ETDEWEB)

Frullani, S

1972-12-29

From symposium on prescnt status and novel developments in the nuclear many-body problem; Rome, Italy (19 Sep 1972). Experimental data on the knocking- out of deep-bound protons in /sup 40/Ca in quasi-free scattering experiments and some open problems in the interpretation of this type of reactions are reviewed. (auth)

The isotropic local Wigner-Seitz model: An accurate theoretical model for the quasi-free electron energy in fluids

Science.gov (United States)

Evans, Cherice; Findley, Gary L.

The quasi-free electron energy V0 (ρ) is important in understanding electron transport through a fluid, as well as for modeling electron attachment reactions in fluids. Our group has developed an isotropic local Wigner-Seitz model that allows one to successfully calculate the quasi-free electron energy for a variety of atomic and molecular fluids from low density to the density of the triple point liquid with only a single adjustable parameter. This model, when coupled with the quasi-free electron energy data and the thermodynamic data for the fluids, also can yield optimized intermolecular potential parameters and the zero kinetic energy electron scattering length. In this poster, we give a review of the isotropic local Wigner-Seitz model in comparison to previous theoretical models for the quasi-free electron energy. All measurements were performed at the University of Wisconsin Synchrotron Radiation Center. This work was supported by a Grants from the National Science Foundation (NSF CHE-0956719), the Petroleum Research Fund (45728-B6 and 5-24880), the Louisiana Board of Regents Support Fund (LEQSF(2006-09)-RD-A33), and the Professional Staff Congress City University of New York.

Effective polarization in quasi-free scattering

OpenAIRE

Maris, Theodor August Johannes; Teodoro, Maria Ribeiro; Veit, Eliane Angela

1980-01-01

A simple relation, involving only experimental quantmes, for the effective polarizations m quasi-free (p, 2p) scattering on closed shell nuclei IS tested for recent TRIUMF (p, 2p) experiments with 200 MeV polanzed protons.

Electron-phonon coupling in quasi free-standing graphene

DEFF Research Database (Denmark)

Christian Johannsen, Jens; Ulstrup, Søren; Bianchi, Marco

2013-01-01

Quasi free-standing monolayer graphene can be produced by intercalating species like oxygen or hydrogen between epitaxial graphene and the substrate crystal. If the graphene is indeed decoupled from the substrate, one would expect the observation of a similar electronic dispersion and many......-body effects, irrespective of the substrate and the material used to achieve the decoupling. Here we investigate the electron-phonon coupling in two different types of quasi free-standing monolayer graphene: decoupled from SiC via hydrogen intercalation and decoupled from Ir via oxygen intercalation. Both...

Quasi-free π0 photoproduction from the bound nucleon

International Nuclear Information System (INIS)

Kossert, K.; Camen, M.; Wissmann, F.; Schumacher, M.; Seitz, B.; Ahrens, J.; Arends, H.J.; Beck, R.; Caselotti, G.; Jahn, O.; Jennewein, P.; Leon, V.Olmos de; Annand, J.R.M.; McGeorge, J.C.; Rosner, G.; Grabmayr, P.; Natter, A.; Levchuk, M.I.; L'vov, A.I.; Petrun'kin, V.A.; Smend, F.; Thomas, A.; Weihofen, W.; Zapadtka, F.

2004-01-01

Differential cross-sections for quasi-free π 0 photoproduction from the proton and neutron bound in the deuteron have been measured for E γ =200-400 MeV at θγ lab =136.2 using the Glasgow photon tagger at MAMI, the Mainz 48 cm diameter x 64 cm NaI(Tl) photon detector and the Goettingen SENECA recoil detector. For the proton measurements made with both liquid-deuterium and liquid-hydrogen targets allow direct comparison of ''free'' π 0 photoproduction cross-sections as extracted from the bound-proton data with experimental free cross-sections which are found to be in reasonable agreement below 320 MeV. At higher energies the ''free'' cross-sections extracted from quasi-free data are significantly smaller than the experimental free cross-sections and theoretical predictions based on multipole analysis. For the first time, ''free'' neutron cross-section have been extracted in the Δ-region. They are also in agreement with the predictions from multipole analysis up to 320 MeV and significantly smaller at higher photon energies. (orig.)

Quasi-Classical Description of Heavy Ion Reactions

International Nuclear Information System (INIS)

Luk'yanov, V.K.

1994-01-01

A method for calculating the distorted waves for a realistic nuclear complex potential with the Coulomb forces included is developed using the quasi-classical and high energy approximations. The distorted waves are obtained in the analytical form and applications are made to elastic, inelastic scattering and to the one-nucleon transfer reactions. 9 refs., 2 figs

Quasi-elastic scattering

International Nuclear Information System (INIS)

Pizzi, J.R.

1975-01-01

In a first part, the kinematical conditions which are chosen to study quasi free scattering reactions are presented, as well as the impulse approximation which is used to interpret the experimental data. Then, the evolution of the study of these reactions in the last few years is analyzed. Three recent experiments are presented and discussed. Two of them deal with α-clusters studied by (p,pα) reaction at 157 and 600MeV. The third is concerned with d, t and 3 He clusters studied by (p,px) reaction at 75MeV [fr

Modeling networks of coupled enzymatic reactions using the total quasi-steady state approximation.

Directory of Open Access Journals (Sweden)

Andrea Ciliberto

2007-03-01

Full Text Available In metabolic networks, metabolites are usually present in great excess over the enzymes that catalyze their interconversion, and describing the rates of these reactions by using the Michaelis-Menten rate law is perfectly valid. This rate law assumes that the concentration of enzyme-substrate complex (C is much less than the free substrate concentration (S0. However, in protein interaction networks, the enzymes and substrates are all proteins in comparable concentrations, and neglecting C with respect to S0 is not valid. Borghans, DeBoer, and Segel developed an alternative description of enzyme kinetics that is valid when C is comparable to S0. We extend this description, which Borghans et al. call the total quasi-steady state approximation, to networks of coupled enzymatic reactions. First, we analyze an isolated Goldbeter-Koshland switch when enzymes and substrates are present in comparable concentrations. Then, on the basis of a real example of the molecular network governing cell cycle progression, we couple two and three Goldbeter-Koshland switches together to study the effects of feedback in networks of protein kinases and phosphatases. Our analysis shows that the total quasi-steady state approximation provides an excellent kinetic formalism for protein interaction networks, because (1 it unveils the modular structure of the enzymatic reactions, (2 it suggests a simple algorithm to formulate correct kinetic equations, and (3 contrary to classical Michaelis-Menten kinetics, it succeeds in faithfully reproducing the dynamics of the network both qualitatively and quantitatively.

Analysis of the exclusive final state npe"+e"- in the quasi-free np reaction

International Nuclear Information System (INIS)

Adamczewski-Musch, J.; Heinz, T.; Holzmann, R.; Koenig, I.; Koenig, W.; Kolb, B.W.; Markert, J.; Pechenov, V.; Pietraszko, J.; Schwab, E.; Sturm, C.; Traxler, M.; Wendisch, C.; Zumbruch, P.; Arnold, O.; Berger-Chen, J.C.; Epple, E.; Fabbietti, L.; Lalik, R.; Lapidus, K.; Mihaylov, D.M.; Muenzer, R.; Wirth, J.; Atomssa, E.T.; Belounnas, A.; Hennino, T.; Liu, T.; Moriniere, E.; Ramstein, B.; Rosier, P.; Behnke, C.; Blume, C.; Froehlich, I.; Kardan, B.; Lorenz, M.; Michel, J.; Muentz, C.; Pechenova, O.; Scheib, T.; Schuldes, H.; Sellheim, P.; Stroebele, H.; Wiebusch, M.G.; Belyaev, A.; Chernenko, S.; Fateev, O.; Ierusalimov, A.; Kurilkin, A.; Kurilkin, P.; Ladygin, V.; Zanevsky, Y.; Biernat, J.; Dybczak, A.; Korcyl, G.; Nowakowski, K.; Palka, M.; Przygoda, W.; Salabura, P.; Strzempek, P.; Blanco, A.; Bordalo, P.; Fonte, P.; Franco, C.; Lopes, L.; Mangiarotti, A.; Ramos, S.; Silva, L.; Boehmer, M.; Friese, J.; Gernhaeuser, R.; Kunz, T.; Maier, L.; Maurus, S.; Siebenson, J.; Chlad, L.; Kugler, A.; Rodriguez-Ramos, P.; Sobolev, Yu.G.; Svoboda, O.; Tlusty, P.; Wagner, V.; Deveaux, C.; Hoehne, C.; Kuehn, W.; Mahmoud, T.; Metag, V.; Dreyer, J.; Kaempfer, B.; Kotte, R.; Naumann, L.; Filip, P.; Hlavac, S.; Spataro, S.; Galatyuk, T.; Garzon, J.A.; Golubeva, M.; Guber, F.; Ivashkin, A.; Karavicheva, T.; Kurepin, A.; Morozov, S.; Petukhov, O.; Reshetin, A.; Sadovsky, A.; Usenko, E.; Gumberidze, M.; Kornakov, G.; Rost, A.; Seck, F.; Harabasz, S.; Lebedev, A.; Parpottas, Y.; Petousis, V.; Tsertos, H.; Scozzi, F.; Stroth, J.; Sarantsev, A.V.

2017-01-01

We report on the investigation of dielectron production in tagged quasi-free neutron-proton collisions by using a deuteron beam of kinetic energy 1.25 GeV/u impinging on a liquid hydrogen target. Our measurements with HADES confirm a significant excess of e"+e"- pairs above the π"0 mass in the exclusive channel dp → npe"+e"-(p_s_p_e_c_t) as compared to the exclusive channel ppe"+e"- measured in proton-proton collisions at the same energy. That excess points to different bremsstrahlung production mechanisms. Two models were evaluated for the role of the charged pion exchange between nucleons and double-Δ excitation combined with intermediate ρ-meson production. Differential cross sections as a function of the e"+e"- invariant mass and of the angles of the virtual photon, proton and electrons provide valuable constraints and encourage further investigations on both experimental and theoretical sides. (orig.)

Low energy quasi free scattering on nuclear surface

Energy Technology Data Exchange (ETDEWEB)

Shiyuan, S.

1983-05-01

The result of RGM calculation of low energy /sup 3/He(n, n)/sup 3/ He total elastic cross section does not agree well with experimental data for E/sub n/<1 MeV. This discrepancy can be improved by assuming lwo energy quasi-free scattering of particles beyond the nuclear surface.

Neutron-Neutron effective range from a comparison of n-n and n-p quasi-free scattering at 24 MeV

International Nuclear Information System (INIS)

Witsch, W. von; Gomez Moreno, B.; Rosenstock, W.; Franke, R.; Steinheuer, B.

1980-01-01

Neutron-neutron and neutron-proton quasi-free scattering have been measured at Esub(n) = 24 MeV the d + n reaction to deduce the n-n effective range from a comparison of relative cross sections, reducing considerably experimental as well as theoretical uncertainties. A Monte Carlo analysis with exact three-body calculations yields rsub(nn) = 2.65 +- 0.18 fm. (orig.)

An annular ionization detector for quasi-elastic and transfer reaction studies

CERN Document Server

Dinesh, B V; Nayak, B K; Biswas, D C; Saxena, A; Pant, L M; Sahu, P K; Choudhury, R K

2000-01-01

An annular ionization chamber detector has been developed to study quasi-elastic and transfer reactions in heavy-ion collisions at near-barrier and sub-barrier energies. The important feature of the detector is that it has a near 2 pi coverage in the azimuthal angle phi for the particles entering in the detector at a given theta direction. This feature makes the detector very useful for measurement of the differential cross-sections at backward angles with respect to the beam direction, involving low cross-section reaction channels. The split anode configuration of the detector makes it capable of both particle identification and energy measurement for heavy ions and fission fragments. The detector has been tested using heavy-ion beams from the 14 MV-pelletron accelerator at Mumbai. Results on quasi-elastic excitation function measurements and barrier distribution studies in many heavy-ion reactions using this detector setup are discussed.

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Quasi-free experiments as a tool for the study of 6Li cluster structure

International Nuclear Information System (INIS)

Lattuada, M.; Riggi, F.; Spitaleri, C.; Vinciguerra, D.

1984-01-01

The value of the α-d clustering probability in 6 Li deduced from quasi-free experiments may be influenced by the choice of the inter-cluster wave function. Several functional forms usually taken to describe the relative motion of the two clusters have been examined. The effect of the choice of the intercluster wave function on the information deduced by analysing quasi-free data in the plane-wave impulse approximation was investigated

Forward angle quasi-free proton-neutron analyzing powers at 0.8 GeV

International Nuclear Information System (INIS)

Barlett, M.L.

1981-01-01

As the first step in determining the nucleon-nucleon scattering amplitudes at small momentum transfers at 0.8 GeV, quasi-free p vector + n and p vector + p analyzing powers were obtained at laboratory scattering angles from 6 0 to 32.9 0 by scattering 800-MeV polarized protons from a liquid deuterium target. Forward-scattered protons were detected by the High Resolution Spectrometer (HRS), while recoil neutrons and protons were detected in coincidence with the event detected with the HRS by a 5 x 5 array of scintillators. A thin scintillator placed between the target and the array enabled discrimination of recoil particle type and facilitated the simultaneous measurement of both p vector n and n vector p analyzing powers. A comparison of the results with previously measured free p vector p and n vector p analyzing powers shows excellent agreement between the free and quasi-free p vector p analyzing powers. Poorer agreement is seen for the p vector n analyzing powers. The results of phase-shift analyses are presented in order to study the effects of the quasi-free analyzing power measurements on the determination of the pn scattering amplitudes. Amplitudes obtained from the phase-shift analyses are then used in KMT calculations. The results indicate that further nucleon-nucleon measurements are necessary in order to determine the nucleon-nucleon amplitudes unambiguously at 800 MeV

Quasi free-standing silicene in a superlattice with hexagonal boron nitride

KAUST Repository

Kaloni, T. P.; Tahir, M.; Schwingenschlö gl, Udo

2013-01-01

We study a superlattice of silicene and hexagonal boron nitride by first principles calculations and demonstrate that the interaction between the layers of the superlattice is very small. As a consequence, quasi free-standing silicene is realized

Large-angle quasi-free scattering in the 6Li(p,pd)4He at 670 MeV

International Nuclear Information System (INIS)

Albrecht, D.; Csatlos, M.

1979-01-01

The 6 Li(p,pd) 4 He reaction was investigated at 670 MeV by a coincidence experiment at large-angle scattering geometry. Energy distributions, cross sections and angular correlations of the reaction products have been measured. Momentum distribution of the recoil nucleus has been determined for transitions leading to residual nucleus in the ground and excited states. Results were analyzed in terms of the simplified distorted wave impulse approximation using the cluster model and three-body wave functions. The observed momentum distribution of the pn pair in the p shell of 6 Li is in agreement with three-body calculations. The spectroscopic factor is larger than predicted by theory. Transitions in the ground and excited states of the α-particle also have the characteristics of quasi-free scattering on deuteron clusters

Angular distributions in quasi-fission reactions

International Nuclear Information System (INIS)

Luetzenkirchen, K.; Kratz, J.V.; Lucas, R.; Poitou, J.; Gregoire, C.; Wirth, G.; Bruechle, W.; Suemmerer, K.

1985-10-01

Angular distributions for fission-like fragments were measured in the systems 50 Ti, 56 Fe + 208 Pb by applying an off-line KX-ray activation technique. The distributions d 2 sigma/dTHETAdZ exhibit forward-backward asymmetries that are strongly Z-dependent. They result from a process (quasi-fission) which yields nearly symmetric masses in times comparable to the rotational period of the composite system. A method for obtaining the variance of the tilting angular momentum, K 0 2 , from these skewed, differential angular distributions is described. The results indicate that the tilting mode is not fully excited in quasi-fission reactions. The results are compared to the sum of the variances of all statistical spin components, measured via γ-multiplicities. Integration of the angular distributions d 2 sigma/dTHETAdZ over all values of Z yields integral angular distributions dsigma/dTHETA and dsigma/dΩ symmetric around 90 0 . The associated unusually large anisotropies do not at all provide an adequate basis for tests or modifications of the transition state theory. A deconvolution of d 2 sigma/dTHETAdZ is performed with gaussian distributions depending on rotational angles ΔTHETA extending over a range of up to 540 0 . From the mean values a time scale for the evolution of K 0 is calculated. (orig.)

Quasi-steady-state voltammetry of rapid electron transfer reactions at the macroscopic substrate of the scanning electrochemical microscope.

Science.gov (United States)

Nioradze, Nikoloz; Kim, Jiyeon; Amemiya, Shigeru

2011-02-01

We report on a novel theory and experiment for scanning electrochemical microscopy (SECM) to enable quasi-steady-state voltammetry of rapid electron transfer (ET) reactions at macroscopic substrates. With this powerful approach, the substrate potential is cycled widely across the formal potential of a redox couple while the reactant or product of a substrate reaction is amperometrically detected at the tip in the feedback or substrate generation/tip collection mode, respectively. The plot of tip current versus substrate potential features the retraceable sigmoidal shape of a quasi-steady-state voltammogram although a transient voltammogram is obtained at the macroscopic substrate. Finite element simulations reveal that a short tip-substrate distance and a reversible substrate reaction (except under the tip) are required for quasi-steady-state voltammetry. Advantageously, a pair of quasi-steady-state voltammograms is obtained by employing both operation modes to reliably determine all transport, thermodynamic, and kinetic parameters as confirmed experimentally for rapid ET reactions of ferrocenemethanol and 7,7,8,8-tetracyanoquinodimethane at a Pt substrate with ∼0.5 μm-radius Pt tips positioned at 90 nm-1 μm distances. Standard ET rate constants of ∼7 cm/s were obtained for the latter mediator as the largest determined for a substrate reaction by SECM. Various potential applications of quasi-steady-state voltammetry are also proposed.

Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

Science.gov (United States)

Black, Joshua A.; Knowles, Peter J.

2018-06-01

The performance of quasi-variational coupled-cluster (QV) theory applied to the calculation of activation and reaction energies has been investigated. A statistical analysis of results obtained for six different sets of reactions has been carried out, and the results have been compared to those from standard single-reference methods. In general, the QV methods lead to increased activation energies and larger absolute reaction energies compared to those obtained with traditional coupled-cluster theory.

Analysis of the exclusive final state npe{sup +}e{sup -} in the quasi-free np reaction

Energy Technology Data Exchange (ETDEWEB)

Adamczewski-Musch, J.; Heinz, T.; Holzmann, R.; Koenig, I.; Koenig, W.; Kolb, B.W.; Markert, J.; Pechenov, V.; Pietraszko, J.; Schwab, E.; Sturm, C.; Traxler, M.; Wendisch, C.; Zumbruch, P. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Arnold, O.; Berger-Chen, J.C.; Epple, E.; Fabbietti, L.; Lalik, R.; Lapidus, K.; Mihaylov, D.M.; Muenzer, R.; Wirth, J. [Excellence Cluster ' ' Origin and Structure of the Universe' ' , Garching (Germany); Technische Universitaet Muenchen, Physik Department E62, Garching (Germany); Atomssa, E.T.; Belounnas, A.; Hennino, T.; Liu, T.; Moriniere, E.; Ramstein, B.; Rosier, P. [Institut de Physique Nucleaire, CNRS-IN2P3, Univ. Paris-Sud, Universite Paris-Saclay, Orsay Cedex (France); Behnke, C.; Blume, C.; Froehlich, I.; Kardan, B.; Lorenz, M.; Michel, J.; Muentz, C.; Pechenova, O.; Scheib, T.; Schuldes, H.; Sellheim, P.; Stroebele, H.; Wiebusch, M.G. [Goethe-Universitaet, Institut fuer Kernphysik, Frankfurt (Germany); Belyaev, A.; Chernenko, S.; Fateev, O.; Ierusalimov, A.; Kurilkin, A.; Kurilkin, P.; Ladygin, V.; Zanevsky, Y. [Joint Institute of Nuclear Research, Dubna (Russian Federation); Biernat, J.; Dybczak, A.; Korcyl, G.; Nowakowski, K.; Palka, M.; Przygoda, W.; Salabura, P.; Strzempek, P. [Jagiellonian University of Cracow, Smoluchowski Institute of Physics, Krakow (Poland); Blanco, A.; Bordalo, P.; Fonte, P.; Franco, C.; Lopes, L.; Mangiarotti, A.; Ramos, S.; Silva, L. [LIP-Laboratorio de Instrumentacao e Fisica Experimental de Particulas, Coimbra (Portugal); Boehmer, M.; Friese, J.; Gernhaeuser, R.; Kunz, T.; Maier, L.; Maurus, S.; Siebenson, J. [Technische Universitaet Muenchen, Physik Department E62, Garching (Germany); Chlad, L.; Kugler, A.; Rodriguez-Ramos, P.; Sobolev, Yu.G.; Svoboda, O.; Tlusty, P.; Wagner, V. [The Czech Academy of Sciences, Nuclear Physics Institute, Rez (Czech Republic); Deveaux, C.; Hoehne, C.; Kuehn, W.; Mahmoud, T.; Metag, V. [Justus Liebig Universitaet Giessen, II. Physikalisches Institut, Giessen (Germany); Dreyer, J.; Kaempfer, B.; Kotte, R.; Naumann, L. [Helmholtz-Zentrum Dresden-Rossendorf, Institut fuer Strahlenphysik, Dresden (Germany); Filip, P.; Hlavac, S.; Spataro, S. [Slovak Academy of Sciences, Institute of Physics, Bratislava (Slovakia); Galatyuk, T. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Technische Universitaet Darmstadt, Darmstadt (Germany); Garzon, J.A. [Univ. de Santiago de Compostela, LabCAF. F. Fisica, Santiago de Compostela (Spain); Golubeva, M.; Guber, F.; Ivashkin, A.; Karavicheva, T.; Kurepin, A.; Morozov, S.; Petukhov, O.; Reshetin, A.; Sadovsky, A.; Usenko, E. [Russian Academy of Science, Institute for Nuclear Research, Moscow (Russian Federation); Gumberidze, M.; Kornakov, G.; Rost, A.; Seck, F. [Technische Universitaet Darmstadt, Darmstadt (Germany); Harabasz, S. [Jagiellonian University of Cracow, Smoluchowski Institute of Physics, Krakow (Poland); Technische Universitaet Darmstadt, Darmstadt (Germany); Lebedev, A. [Institute of Theoretical and Experimental Physics, Moscow (Russian Federation); Parpottas, Y.; Petousis, V.; Tsertos, H. [University of Cyprus, Department of Physics, Nicosia (Cyprus); Scozzi, F. [Technische Universitaet Darmstadt, Darmstadt (Germany); Institut de Physique Nucleaire, CNRS-IN2P3, Univ. Paris-Sud, Universite Paris-Saclay, Orsay Cedex (France); Stroth, J. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Goethe-Universitaet, Institut fuer Kernphysik, Frankfurt (Germany); Sarantsev, A.V. [NRC ' ' Kurchatov Institute' ' , PNPI, Gatchina (Russian Federation); Collaboration: HADES Collaboration

2017-07-15

We report on the investigation of dielectron production in tagged quasi-free neutron-proton collisions by using a deuteron beam of kinetic energy 1.25 GeV/u impinging on a liquid hydrogen target. Our measurements with HADES confirm a significant excess of e{sup +}e{sup -} pairs above the π{sup 0} mass in the exclusive channel dp → npe{sup +}e{sup -}(p{sub spect}) as compared to the exclusive channel ppe{sup +}e{sup -} measured in proton-proton collisions at the same energy. That excess points to different bremsstrahlung production mechanisms. Two models were evaluated for the role of the charged pion exchange between nucleons and double-Δ excitation combined with intermediate ρ-meson production. Differential cross sections as a function of the e{sup +}e{sup -} invariant mass and of the angles of the virtual photon, proton and electrons provide valuable constraints and encourage further investigations on both experimental and theoretical sides. (orig.)

Optimal allocation of SVC and TCSC using quasi-oppositional chemical reaction optimization for solving multi-objective ORPD problem

Directory of Open Access Journals (Sweden)

Susanta Dutta

2018-05-01

Full Text Available This paper presents an efficient quasi-oppositional chemical reaction optimization (QOCRO technique to find the feasible optimal solution of the multi objective optimal reactive power dispatch (RPD problem with flexible AC transmission system (FACTS device. The quasi-oppositional based learning (QOBL is incorporated in conventional chemical reaction optimization (CRO, to improve the solution quality and the convergence speed. To check the superiority of the proposed method, it is applied on IEEE 14-bus and 30-bus systems and the simulation results of the proposed approach are compared to those reported in the literature. The computational results reveal that the proposed algorithm has excellent convergence characteristics and is superior to other multi objective optimization algorithms. Keywords: Quasi-oppositional chemical reaction optimization (QOCRO, Reactive power dispatch (RPD, TCSC, SVC, Multi-objective optimization

Quasi-free scattering off {sup 12}C in inverse kinematics at the R3B/LAND-setup

Energy Technology Data Exchange (ETDEWEB)

Panin, Valerii; Aumann, Thomas [Institut fuer Kernphysik, TU Darmstadt (Germany); Taylor, Jonathan [Department of Physics, University of Liverpool (United Kingdom); Collaboration: R3B-Collaboration

2011-07-01

An important part of the physics program at the future R3B (Reactions with Relativistic Radioactive Beams) experiment at FAIR will be based on the study of proton-induced reactions in a kinematical complete measurement. These are in particular the quasi-free scattering processes of the type (p,2p), (p,pn), (p,p{alpha}) etc, which will be used to investigate the single-particle and cluster structure of neutron-proton asymmetric nuclei and the role of nucleon-nucleon correlations in nuclei. A prototype setup for the detection of high-energy protons in (p,2p) reactions in coincidence with forward emitted light particles and heavy fragments has been built based on an array of Si micro-strip detectors for tracking and thick NaI scintillators for energy measurements. A {sup 12}C beam has been chosen for the bench-mark experiment since its structure is well known, and results from proton- as well as electron-induced knockout reactions are available. First results on two-proton angular correlations and momentum distributions of the knocked-out protons inside {sup 12}C are discussed as well as the excitation energy spectrum of the residual {sup 11}B nuclei.

On the probabilistic structure of quasi-free states of a Clifford algebra

International Nuclear Information System (INIS)

Sirugue-Collin, M.; Centre National de la Recherche Scientifique, 13 - Marseille; Sirugue, M.

1975-07-01

It is proved that the correlation functions of a non-relativistic Fermi field given by a quasi-free state are directly related to the values of the characteristic function of a probability measure over the phase space of a classical spin system [fr

Error Free Quantum Reading by Quasi Bell State of Entangled Coherent States

Science.gov (United States)

Hirota, Osamu

2017-12-01

Nonclassical states of light field have been exploited to provide marvellous results in quantum information science. Usefulness of nonclassical states in quantum information science depends on whether a physical parameter as a signal is continuous or discrete. Here we present an investigation of the potential of quasi Bell states of entangled coherent states in quantum reading of the classical digital memory which was pioneered by Pirandola (Phys.Rev.Lett.,106,090504,2011). This is a typical example of discrimination for discrete quantum parameters. We show that the quasi Bell state gives the error free performance in the quantum reading that cannot be obtained by any classical state.

$^{11}$Be($\\beta$p), a quasi-free neutron decay?

CERN Document Server

Riisager, K.; Borge, M.J.G.; Briz, J.A.; Carmona-Gallardo, M.; Fraile, L.M.; Fynbo, H.O.U.; Giles, T.; Gottberg, A.; Heinz, A.; Johansen, J.G.; Jonson, B.; Kurcewicz, J.; Lund, M.V.; Nilsson, T.; Nyman, G.; Rapisarda, E.; Steier, P.; Tengblad, O.; Thies, R.; Winkler, S.R.

2014-01-01

We have observed $\\beta$-delayed proton emission from the neutron-rich nucleus $^{11}$Be by analysing a sample collected at the ISOLDE facility at CERN with accelerator mass spectrometry (AMS). With a branching ratio of (8.4 $\\pm$ 0.6)$\\times$ 10$^{-6}$ the strength of this decay mode, as measured by the B$_\\mathrm{GT}$-value, is unexpectedly high. The result is discussed within a simple single-particle model and could be interpreted as a quasi-free decay of the $^{11}$Be halo neutron into a single-proton state.

Derivation of capture and reaction cross sections from experimental quasi-elastic and elastic backscattering probabilities

International Nuclear Information System (INIS)

Sargsyan, V.V.; Adamian, G.G.; Antonenko, N.V.; Gomes, P.R.S.

2014-01-01

We suggest simple and useful methods to extract reaction and capture (fusion) cross sections from the experimental elastic and quasi-elastic backscattering data.The direct measurement of the reaction or capture (fusion) cross section is a difficult task since it would require the measurement of individual cross sections of many reaction channels, and most of them could be reached only by specific experiments. This would require different experimental setups not always available at the same laboratory and, consequently, such direct measurements would demand a large amount of beam time and would take probably some years to be reached. Because of that, the measurements of elastic scattering angular distributions that cover full angular ranges and optical model analysis have been used for the determination of reaction cross sections. This traditional method consists in deriving the parameters of the complex optical potentials which fit the experimental elastic scattering angular distributions and then of deriving the reaction cross sections predicted by these potentials. Even so, both the experimental part and the analysis of this latter method are not so simple. In the present work we present a much simpler method to determine reaction and capture (fusion) cross sections. It consists of measuring only elastic or quasi-elastic scattering at one backward angle, and from that, the extraction of the reaction or capture cross sections can easily be performed. (author)

Quasi free-standing silicene in a superlattice with hexagonal boron nitride

KAUST Repository

Kaloni, T. P.

2013-11-12

We study a superlattice of silicene and hexagonal boron nitride by first principles calculations and demonstrate that the interaction between the layers of the superlattice is very small. As a consequence, quasi free-standing silicene is realized in this superlattice. In particular, the Dirac cone of silicene is preserved. Due to the wide band gap of hexagonal boron nitride, the superlattice realizes the characteristic physical phenomena of free-standing silicene. In particular, we address by model calculations the combined effect of the intrinsic spin-orbit coupling and an external electric field, which induces a transition from a semimetal to a topological insulator and further to a band insulator.

Excitation functions for quasi-elastic transfer reactions induced with heavy ions in bismuth

International Nuclear Information System (INIS)

Gardes, D.; Bimbot, R.; Maison, J.; Reilhac, L. de; Rivet, M.F.; Fleury, A.; Hubert, F.; Llabador, Y.

1977-01-01

The excitation functions for the production of 210 Bi, 210 Po, sup(207-211)At and 211 Rn through quasi-elastic transfer reactions induced with heavy ions in 209 Bi have been measured. The corresponding reactions involved the transfer of one neutron, one proton, two and three charges from projectile to target. The projectiles used were 12 C, 14 N, 16 O, 19 F, 20 Ne, 40 Ca, 56 Fe and 63 Cu. The experimental techniques involved target irradiations and off-line α and γ activity measurements. Chemical separations were used to solve specific problems. Careful measurements of incident energies and cross sections were performed close to the reaction thresholds

Search for quasi bound η mesons

International Nuclear Information System (INIS)

Machner, H

2015-01-01

The search for a quasi bound η meson in atomic nuclei is reviewed. This tentative state is studied theoretically as well as experimentally. The theory starts from elastic η nucleon scattering which is derived from production data within some models. From this interaction the η nucleus interaction is derived. Model calculations predict binding energies and widths of the quasi bound state. Another method is to derive the η nucleus interaction from excitation functions of η production experiments. The s wave interaction is extracted from such data via final state interaction (FSI) theorem. We give the derivation of s wave amplitudes in partial wave expansion and in helicity amplitudes and their relation to observables. Different experiments extracting the FSI are discussed as are production experiments. So far only three experiments give evidence for the existence of the quasi bound state: a pion double charge exchange experiment, an effective mass measurement, and a transfer reaction at recoil free kinematics with observation of the decay of the state. (topical review)

Radiation reaction of a classical quasi-rigid extended particle

International Nuclear Information System (INIS)

Medina, Rodrigo

2006-01-01

The problem of the self-interaction of a quasi-rigid classical particle with an arbitrary spherically symmetric charge distribution is completely solved up to the first order in the acceleration. No ad hoc assumptions are made. The relativistic equations of conservation of energy and momentum in a continuous medium are used. The electromagnetic fields are calculated in the reference frame of instantaneous rest using the Coulomb gauge; in this way the troublesome power expansion is avoided. Most of the puzzles that this problem has aroused are due to the inertia of the negative pressure that equilibrates the electrostatic repulsion inside the particle. The effective mass of this pressure is -U e /(3c 2 ), where U e is the electrostatic energy. When the pressure mass is taken into account the dressed mass m turns out to be the bare mass plus the electrostatic mass m = m 0 + U e /c 2 . It is shown that a proper mechanical behaviour requires that m 0 > U e /3c 2 . This condition poses a lower bound on the radius that a particle of a given bare mass and charge may have. The violation of this condition is the reason why the Lorentz-Abraham-Dirac formula for the radiation reaction of a point charge predicts unphysical motions that run away or violate causality. Provided the mass condition is met the solutions of the exact equation of motion never run away and conform to causality and conservation of energy and momentum. When the radius is much smaller than the wavelength of the radiated fields, but the mass condition is still met, the exact expression reduces to the formula that Rohrlich (2002 Phys. Lett. A 303 307) has advocated for the radiation reaction of a quasi-point charge

Localization of s-Wave and Quantum Effective Potential of a Quasi-free Particle with Position-Dependent Mass

International Nuclear Information System (INIS)

Ju Guoxing; Xiang Yang; Ren Zhongzhou

2006-01-01

The properties of the s-wave for a quasi-free particle with position-dependent mass (PDM) have been discussed in details. Differed from the system with constant mass in which the localization of the s-wave for the free quantum particle around the origin only occurs in two dimensions, the quasi-free particle with PDM can experience attractive forces in D dimensions except D = 1 when its mass function satisfies some conditions. The effective mass of a particle varying with its position can induce effective interaction, which may be attractive in some cases. The analytical expressions of the eigenfunctions and the corresponding probability densities for the s-waves of the two- and three-dimensional systems with a special PDM are given, and the existences of localization around the origin for these systems are shown.

Effects of wave function correlations on scaling violation in quasi-free electron scattering

International Nuclear Information System (INIS)

Tornow, V.; Drechsel, D.; Orlandini, G.; Traini, M.

1981-01-01

The scaling law in quasi-free electron scattering is broken due to the existence of exchange forces, leading to a finite mean value of the scaling variable anti y. This effect is considerably increased by wave function correlations, in particular by tensor correlations, similar to the case of the photonuclear enhancement factor k. (orig.)

A super-version of quasi-free second quantization. 1. Charged particles

International Nuclear Information System (INIS)

Grosse, H.; Langmann, E.

1990-01-01

We present a formalism comprising and extending quasi-free second quantization of charged bosons and fermions. The second quantization of one-particle observables leads to current superalgebras and a super Schwinger term shows up. We introduce anticommuting parameters in order to construct super Bogoliubov transformations mixing bosons and fermion. As an application, we give representations of Lie superalgebras which are semidirect products of extensions of affine Kac-Moody algebras and the Virasoro algebra, and of the super Virasoro algebra. (Authors) 36 refs

The Mechanical and Reaction Behavior of PTFE/Al/Fe2O3 under Impact and Quasi-Static Compression

Directory of Open Access Journals (Sweden)

Jun-yi Huang

2017-01-01

Full Text Available Quasi-static compression and drop-weight test were used to characterize the mechanical and reaction behavior of PTFE/Al/Fe2O3 composites. Two kinds of PTFE/Al/Fe2O3 composites were prepared with different mass of PTFE, and the reaction phenomenon and stress-strain curves were recorded; the residuals after reaction were analyzed by X-ray diffraction (XRD. The results showed that, under quasi-static compression condition, the strength of the materials is increased (from 37.1 Mpa to 77.2 Mpa with the increase of PTFE, and the reaction phenomenon occurred only in materials with high PTFE content. XRD analysis showed that the reaction between Al and Fe2O3 was not triggered with identical experimental conditions. In drop-weight tests, PTFE/Al/Fe2O3 specimens with low PTFE content were found to be more insensitive by high-speed photography, and a High Temperature Metal Slag Spray (HTMSS phenomenon was observed in both kinds of PTFE/Al/Fe2O3 composites, indicating the existence of thermite reaction, which was confirmed by XRD. In PTFE/Al/Fe2O3 system, the reaction between PTFE and Al precedes the reaction between Al and Fe2O3.

Unimolecular reaction dynamics of free radicals

International Nuclear Information System (INIS)

Terry A. Miller

2006-01-01

Free radical reactions are of crucial importance in combustion and in atmospheric chemistry. Reliable theoretical models for predicting the rates and products of these reactions are required for modeling combustion and atmospheric chemistry systems. Unimolecular reactions frequently play a crucial role in determining final products. The dissociations of vinyl, CH2= CH, and methoxy, CH3O, have low barriers, about 13,000 cm-1 and 8,000 cm-1, respectively. Since barriers of this magnitude are typical of free radicals these molecules should serve as benchmarks for this important class of reactions. To achieve this goal, a detailed understanding of the vinyl and methoxy radicals is required. Results for dissociation dynamics of vinyl and selectively deuterated vinyl radical are reported. Significantly, H-atom scrambling is shown not to occur in this reaction. A large number of spectroscopic experiments for CH3O and CHD2O have been performed. Spectra recorded include laser induced fluorescence (LIF), laser excited dispersed fluorescence (LEDF), fluorescence dip infrared (FDIR) and stimulated emission pumping (SEP). Such results are critical for implementing dynamics experiments involving the dissociation of methoxy

HADES results in elementary reactions

Directory of Open Access Journals (Sweden)

Ramstein B.

2014-01-01

Full Text Available Recent results obtained with the HADES experimental set-up at GSI are presented with a focus on dielectron production and strangeness in pp and quasi-free np reactions. Perspectives related to the very recent experiment using the pion beam at GSI are also discussed.

Photonuclear reaction as a probe for α -clustering nuclei in the quasi-deuteron region

Science.gov (United States)

Huang, B. S.; Ma, Y. G.; He, W. B.

2017-03-01

Photon-nuclear reaction in a transport model frame, namely an extended quantum molecular dynamics model, has been realized at the photon energy of 70-140 MeV in the quasi-deuteron regime. For an important application, we pay a special focus on photonuclear reactions of 12C(γ ,n p )10B where 12C is considered as different configurations including α clustering. Obvious differences for some observables have been observed among different configurations, which can be attributed to spatial-momentum correlation of a neutron-proton pair inside nucleus, and therefore it gives us a sensitive probe to distinguish the different configurations including α clustering with the help of the photonuclear reaction mechanism.

The dynamics of the H(+) + D(2) reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results.

Science.gov (United States)

Jambrina, P G; Aoiz, F J; Bulut, N; Smith, Sean C; Balint-Kurti, G G; Hankel, M

2010-02-07

A detailed study of the proton exchange reaction H(+) + D(2)(v = 0, j = 0) --> HD + D(+) on its ground 1(1)A' potential energy surface has been carried out using 'exact' close-coupled quantum mechanical wavepacket (WP-EQM), quasi-classical trajectory (QCT), and statistical quasi-classical trajectory (SQCT) calculations for a range of collision energies starting from the reaction threshold to 1.3 eV. The WP-EQM calculations include all total angular momenta up to J(max) = 50, and therefore the various dynamical observables are converged up to 0.6 eV. It has been found that it is necessary to include all Coriolis couplings to obtain reliable converged results. Reaction probabilities obtained using the different methods are thoroughly compared as a function of the total energy for a series of J values. Comparisons are also made of total reaction cross sections as function of the collision energy, and rate constants. In addition, opacity functions, integral cross sections (ICS) and differential cross sections (DCS) are presented at 102 meV, 201.3 meV and 524.6 meV collision energy. The agreement between the three sets of results is only qualitative. The QCT calculations fail to describe the overall reactivity and most of the dynamical observables correctly. At low collision energies, the QCT method is plagued by the lack of conservation of zero point energy, whilst at higher collision energies and/or total angular momenta, the appearance of an effective repulsive potential associated with the centrifugal motion "over" the well causes a substantial decrease of the reactivity. In turn, the statistical models overestimate the reactivity over the whole range of collision energies as compared with the WP-EQM method. Specifically, at sufficiently high collision energies the reaction cannot be deemed to be statistical and important dynamical effects seem to be present. In general the WP-EQM results lie in between those obtained using the QCT and SQCT methods. One of the main

Quasi free mechanism in single photon double ionization of helium

Energy Technology Data Exchange (ETDEWEB)

Schoeffler, Markus; Stuck, Christian [Frankfurt Univ., Frankfurt am Main (Germany). Inst. fuer Kernphysik; Lawrence Berkeley National Lab, Berkeley, CA (United States); Jahnke, Till; Waitz, Markus; Trinter, Florian; Lenz, Ute; Schmidt-Boecking, Horst; Doerner, Reinhard [Frankfurt Univ., Frankfurt am Main (Germany). Inst. fuer Kernphysik; Jones, Mathew; Landers, Allen [Auburn University, Auburn, AL (United States); Belkacem, Ali; Weber, Thorsten [Lawrence Berkeley National Lab, Berkeley, CA (United States); Cocke, Lew [Kansas State University, Manhattan, KS (United States)

2012-07-01

Double ionization of Helium by a single photon is widely believed to proceed through two mechanisms: knock-off (TS1) or shake-off, with the last one dominating at high photon energies. A new mechanism, termed ''Quasi Free Mechanism'' (QFM) was predicted 35 years ago by Amusia and coworkers, but escaped experimental observation till today. Here we provide the first proof of this mechanism using 800 eV photons from the Advanced Light Source. Fragments (electrons and ions) were measured in coincidence using momentum spectroscopy (COLTRIMS). He{sup (}2+) ions with zero momentum were found - the fingerprint for the QFM.

Effects of hadronic colour structure in quasi-elastic and charge-exchange scattering on nuclei

International Nuclear Information System (INIS)

Kopeliovich, B.Z.; Zakharov, B.G.

1986-01-01

Effects of hadronic hidden colour screening are considered in hadron-nucleus interaction. It is shown that in the quasi-free charge exchange-reaction nuclear matter becomes transparent for the scattered hadron if the momentum transfer is large enough. The available experimental data confirm this prediction of QCD

Study of a new mechanism of reaction between heavy ions: the quasi-fission

International Nuclear Information System (INIS)

Ngo, Christian.

1975-01-01

A new type of deep inelastic reaction between two heavy ions (quasi-fission) has been discovered and studied when the product Z 1 Z 2 between the two ion atomic numbers is greater than or approximately equal to 1500. This mechanism is mainly binary, the total kinetic energy of the products is the one expected for a binary fission giving the same products, most of the products have masses very close to the initial masses, the angular distribution of the light products is peaked slightly forwards the projectile grazing angle (when the bombarding energy is not too much above the interaction barrier), at last, the total cross section for this process is a large part of the total reaction cross section. These results have been interpreted on the one hand using a static model and on the other hand using a dynamic model. An interaction potential between the two heavy ions has been derived using the energy density formalism within the framework of the sudden approximation. It has been shown that the nuclear part satisfies a scaling law which allows to factorize it in one term which depends on the two ion masses and another term which is independent of the system (universal function). Using the critical distance notion, the static calculations reproduce the quasi-fission cross sections. With regards to the dynamical calculations, the previously described potential has been introduced within the framework of Deubler and Dietrich's model. It is a classical dynamical calculation including dissipative terms. The vibration degrees of freedom of each ion have been explicitely taken into account. This calculation nicely reproduces both the energy loss in the relative motion, the focusing effect of the angular distribution, and the quasi-fission cross sections [fr

Fusion barrier distributions from capture and quasi-elastic excitation functions measured in reaction 36S, 48Ca, 64Ni+238U

International Nuclear Information System (INIS)

Kozulin, E. M.

2009-01-01

The subbarrier fusion enhancement in reactions with heavy ions were explained by taking into account coupling between relative motion and intrinsic degrees of freedom of interacting nuclei. The coupling of reaction channels manifests itself in the potential barrier between interacting nuclei giving rise to a distribution of fusion barrier instead of single barrier.Capture and quasi-elastic scattering excitation functions at backward angles were measured for 3 6S , 4 8C a, 6 4N i+2 38U reactions systems at energies close and below the Coulomb barrier (i.e. when the influence of the shell effects on the fusion and characteristics of the decay of the composite system is considerable). Representations of the barrier distributions were extracted from both capture and quasi-elastic data. The experimental representations of barrier distributions were compared with coupled-channel calculations using CCFULL code. The major part of these experiments has been performed at the U-400 accelerator of the Flerov Laboratory of Nuclear Reactions (JINR, Dubna); at the TANDEM-ALPI accelerator of the LNL (INFN, Legnaro, Italy) and at the Accelerator Laboratory of University of Jyvaeskylae (JYFL, Finland) using a time-of-flight spectrometer of fission fragments CORSET (CORrelation SET-up.) The extraction of the masses and Total Kinetic Energy (TKE) of the binary reaction products is based upon the analysis of the two-body velocity In the case of the fusion-fission and quasi-fission processes, the observed peculiarities of mass and energy distributions of the fragments, the ratio between the fusion-fission and quasi-fission cross sections are determined deformations of interaction nuclei and angular momentum carried in the di-nuclear system and the shell structure of the formed fragments. In this work, the high-precision capture and quasi-elastic scattering excitation function data are presented.The influence of projectile and target excitations and nucleon transfer on fusion barrier

Spectator tagging in quasi-free pn-reactions on deuterium at PROMICE/WASA, CELSIUS

International Nuclear Information System (INIS)

Bilger, R.; Brodowski, W.; Calen, H.; Clement, H.; Dunin, V.; Dyring, J.; Ekstroem, C.; Fransson, K.; Greiff, J.; Gustafsson, L.; Haeggstroem, S.; Hoeistad, B.; Johanson, J.; Johansson, A.; Johansson, T.; Khoukaz, A.; Kilian, K.; Koch, I.; Kullander, S.; Kupsc, A.; Marciniewski, P.; Morosov, B.; Neubauer, T.; Oelert, W; Ruber, R.; Shwartz, B.; Stepaniak, J.; Sukhanov, A.; Sukhanov, A.; Sundberg, P.; Turowiecki, A.; Wagner, G.; Wilhelmi, Z.; Wilkin, C.; Zabierowski, J.; Zernov, A.; Zlomanczuk, J.

2000-01-01

A set of silicon detectors has been added to the PROMICE/WASA (P/W) experiment at CELSIUS. These detectors have been used for spectator-proton tagging in proton deuteron collisions to investigate proton-neutron reactions at intermediate energies. The performance of the setup has been tested by measuring the pd → dπ o p spectator reaction

Analysing power for quasi-elastic pp scattering in carbon and for elastic pp scattering on free protons

International Nuclear Information System (INIS)

Bystricky, J.; Deregel, J.; Lehar, F.

1984-01-01

The ratio of the analysing powers for quasi-elastic pp scattering in carbon and for elastic scattering on free protons was measured from T = 0.52 to 2.8 GeV by scattering of the SATURNE II polarized proton beam on carbon and CH 2 . It was found to have a maximum at about 0.8 GeV. The energy dependence for quasi-elastic scattering on carbon had not been measured before above 1 GeV. The observed effect was not expected from simple models

Insight into the Reaction Mechanism of Graphene Oxide with Oxidative Free Radical

Institute of Scientific and Technical Information of China (English)

ZHOU Xuejiao; XU Liangyou

2017-01-01

Graphene oxide(GO),as an important derivative of graphene,could be considered as a super aromatic molecule decorated with a range of reactive oxygen-containing groups on its surface,which endows graphene high reactivity with other molecules.In our previous work,we demonstrated that GO sheets were cut into small pieces(graphene quantum dots,GQDs) by oxidative free radicals(hydroxyl radical HO or oxygen radical [O]) under UV irradiation.It is notable that reactions involving free radicals are influenced by reaction conditions pronouncedly.However,researches on details about reactions of GO with free radicals have not been reported thus far.In this work,the effects of different factors on the photo-Fenton reaction of GO were studied.It is demonstrated that the reaction rate is closely related to the concentration of free radicals.It is speculated that through the optimization of reaction conditions,the reaction of graphene with free radicals could carry out efficiently for further applications.

Quasi-free scattering in the ionization and destruction of hydrogen and helium Rydberg atoms in collision with neutral targets

International Nuclear Information System (INIS)

Renwick, S.P.

1992-01-01

Hydrogen and helium Rydberg atoms (H** and He**), with principal quantum number n ranging from 10 to 20, have been used in collision experiments from 1 to 40 keV/amu. These were produced by electron capture in a charge-exchange cell and analyzed by ionization in a modulated electric field combined with phase-sensitive detection. Three experiments have been conducted. In the first, spectra of the band of H and He Rydberg states from electron capture were produced by the modulated field technique and compared. Considerable differences were found between the two. Both types of spectra were analyzed with calculations of Stark energies and field ionization rates. Attempts were made to simulate the spectra using this information and some assumptions about the state distribution produced in the electron capture. In the second experiment, destruction cross sections for H** incident on N 2 , Ar, and SF 6 were measured. This was a further test of the independent-particle model for Rydberg atom scattering; in this model, the atom is destroyed by quasi-free scattering of either the ionic core or the outer electron. Already proven valid for n = 20-35, this has been extended to n as low as 10, as measurements with n = 10 showed full compliance with the model. In the third experiment, not only destruction cross sections but also ionization cross sections for H** and He** incident on Xe, AR, and N 2 were measured. The ionization measurement is a more sensitive test of the quasi-free scattering of the Rydberg electron. This was especially important for the Xe and Ar targets, which exhibits a Ramsauer-Townsend minimum in their free-electron scattering cross sections. The quasi-free Rydberg electron should reproduce these data. Unmistakable deviations from the quasi-free prediction were seen in Xe and N 2 but not in Ar. This represents the first measurement of a breakdown of the Independent Particle Model for fast Rydberg atom scattering

Spectator tagging in quasi-free pn-reactions on deuterium at PROMICE/WASA, CELSIUS

CERN Document Server

Bilger, R; Calén, H; Clement, H; Dunin, V; Dyring, J; Ekström, C; Fransson, K; Greiff, J; Gustafsson, L; Häggström, S; Hoeistad, B; Johanson, J; Johansson, A; Johansson, T; Khoukaz, A; Kilian, K; Koch, I; Kullander, Sven; Kupsc, A; Marciniewski, P; Morosov, B; Neubauer, T; Oelert, W; Ruber, Roger J M Y; Shwartz, B A; Stepaniak, J; Sukhanov, A; Sukhanov, A; Sundberg, P; Turowiecki, A; Wagner, G; Wilhelmi, Z; Wilkin, C; Zabierowski, J; Zernov, A; Zlomanczuk, Yu

2000-01-01

A set of silicon detectors has been added to the PROMICE/WASA (P/W) experiment at CELSIUS. These detectors have been used for spectator-proton tagging in proton deuteron collisions to investigate proton-neutron reactions at intermediate energies. The performance of the setup has been tested by measuring the pd -> d pi sup o p sub s sub p sub e sub c sub t sub a sub t sub o sub r reaction

The proton transfer reaction in malonaldehyde derivatives: Substituent effects and quasi-aromaticity of the proton bridge

International Nuclear Information System (INIS)

Palusiak, Marcin; Simon, Silvia; Sola, Miquel

2007-01-01

The proton transfer in malonaldehyde and in some of its derivatives have been considered in order to study the interrelation between the reaction barrier and the π-delocalization in the quasi-ring. A set of simple and mostly common substituents having different properties in resonance effect according to values of substituents constants were chosen in order to simulate the influence of substitution in position 2 or in position 1 (or 3) of malonaldehyde on the quasi-aromaticity and H-bonding. The following substituents have been taken into consideration: NO, NO 2 , CN, CHO, F, H, CH 3 , OCH 3 , OH, and NH 2 . Our results show that when the substituent is attached at position 2 of the quasi-ring, the resonance effect predominates over the field/inductive effect which leads to changes in H-bonding and quasi-aromaticity of the ring motif, while in the case of 1(3) substitution the field/inductive effect is significantly more effective influencing the HB strength, and thus, the proton transfer barrier. Somehow counterintuitively, for the 1(3) substituted systems, the most stable isomer is the one having the weakest HB and lower aromaticity. The reason for this surprising behaviour is discussed

Exchange current contributions to quasi-elastic electron scattering

International Nuclear Information System (INIS)

Conte, J.S. Jr.

1981-01-01

Because electromagnetic interactions are weak and well understood, inelastic electron scattering has been very useful in elucidating aspects of nuclear structure. In the region of large electron energy loss, an extremely simple reaction picture (quasi-free knockout of a single nucleon or electroproduction of an isobar) and a simple nuclear model (Fermi gas) have provided both a good fit to experimental data and a dynamical determination of the nuclear Fermi momentum (k/sub F/). However, there exists an anomalous region where this picture fails. Two body correlations have not seemed to help give any better agreement. We have investigated the following questions: Do exchange current processes contribute importantly in this region. Do they help produce agreement with experiment. Also, how do they effect our previous picture of quasifree knockout. We calculate the effects of exchange currents in this region using the standard Feynman graph rules. We have included all important long range exchange currents: pair, pionic, and isobar exchange currents. We found it necessary to make non-relativistic reductions of these currents in order to facilitate calculations. The resulting multidimensional integrals were done using Monte Carlo techniques. All exchange currents which were investigated were found to be appreciable in the anomalous region, and also important in the quasi-free peak region. Inclusion of these amplitudes would supply all of the missing cross section in the anomalous region: however, it would destroy the agreement between theory and experiment in the region of the quasi-free nucleon peak, and thereby cast suspicion on the aforementioned dynamical determination of k/sub F/

Quasi-elastic scattering an alternative tool for mapping the fusion barriers for heavy-ion induced fusion reaction

International Nuclear Information System (INIS)

Behera, B.R.

2016-01-01

Heavy element synthesis through heavy-ion induced fusion reaction is an active field in contemporary nuclear physics. Exact knowledge of fusion barrier is one of the essential parameters for planning any experiments for heavy element production. Theoretically there are many models available to predict the exact barrier. Though these models are successful for predicting the fusion of medium mass nuclei, it somehow fails for predicting the exact location of barrier for fusion of heavy nuclei. Experimental determination of barrier for such reactions is required for future experiments for the synthesis of heavy elements. Traditionally fusion barrier is determined taking a double derivative of fusion excitation function. However, such method is difficult in case of fusion of heavy nuclei due to its very low fusion/capture cross section and its experimental complications. Alternatively fusion barrier can be determined by measuring the quasi-elastic cross section at backward angles. This method can be applied for determining the fusion barrier for the fusion of heavy nuclei. Experimental determination of fusion barrier by different methods and comparison of the fusion excitation function and quasi-elastic scattering methods for the determination of fusion barrier are reviewed. At IUAC, New Delhi recently a program has been started for the measurement of fusion barrier through quasi-elastic scattering methods. The experimental facility and the first results of the experiments carried out with this facility are presented. (author)

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

Science.gov (United States)

Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

2014-10-14

The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a

Standard Gibbs free energies of reactions of ozone with free radicals in aqueous solution: quantum-chemical calculations.

Science.gov (United States)

Naumov, Sergej; von Sonntag, Clemens

2011-11-01

Free radicals are common intermediates in the chemistry of ozone in aqueous solution. Their reactions with ozone have been probed by calculating the standard Gibbs free energies of such reactions using density functional theory (Jaguar 7.6 program). O(2) reacts fast and irreversibly only with simple carbon-centered radicals. In contrast, ozone also reacts irreversibly with conjugated carbon-centered radicals such as bisallylic (hydroxycylohexadienyl) radicals, with conjugated carbon/oxygen-centered radicals such as phenoxyl radicals, and even with nitrogen- oxygen-, sulfur-, and halogen-centered radicals. In these reactions, further ozone-reactive radicals are generated. Chain reactions may destroy ozone without giving rise to products other than O(2). This may be of importance when ozonation is used in pollution control, and reactions of free radicals with ozone have to be taken into account in modeling such processes.

Sensitivity of fusion and quasi-elastic barrier distributions of {sub 16}O+{sub 144}Sm reaction on the coupling radius parameter

Energy Technology Data Exchange (ETDEWEB)

Zamrun, Muhammad; Usman, Ida; Variani, Viska Inda [Department of Physics, Haluoleo University, Kendari, Sulawesi Tengagra, 93232 (Indonesia); Kassim, Hasan Abu [Department of Physics, University of Malaya, 50603 Kuala Lumpur (Malaysia)

2014-03-05

We study the heavy-ion collision at sub-barrier energies of {sub 16}O+{sub 144}Sm system using full order coupled-channels formalism. We especially investigate the sensitivity of fusion and quasi-elastic barrier distributions for this system on the coupling radius parameter. We found that the coupled-channels calculations of the fusion and the quasi-elastic barrier distributions are sensitive to the coupling radius for this reaction in contrast to the fusion and quasi-elastic cross section. Our study indicates that the larger coupling radius, i.e., r{sub coup}=1.20, is required by the experimental quasi-elastic barrier distribution. However, the experimental fusion barrier distribution compulsory the small value, i.e., r{sub coup}=1.06.

First measurement of the polarization observable E and helicity-dependent cross sections in single π0 photoproduction from quasi-free nucleons

Directory of Open Access Journals (Sweden)

M. Dieterle

2017-07-01

Full Text Available The double-polarization observable E and the helicity-dependent cross sections σ1/2 and σ3/2 have been measured for the first time for single π0 photoproduction from protons and neutrons bound in the deuteron at the electron accelerator facility MAMI in Mainz, Germany. The experiment used a circularly polarized photon beam and a longitudinally polarized deuterated butanol target. The reaction products, recoil nucleons and decay photons from the π0 meson were detected with the Crystal Ball and TAPS electromagnetic calorimeters. Effects from nuclear Fermi motion were removed by a kinematic reconstruction of the π0N final state. A comparison to data measured with a free proton target showed that the absolute scale of the cross sections is significantly modified by nuclear final-state interaction (FSI effects. However, there is no significant effect on the asymmetry E since the σ1/2 and σ3/2 components appear to be influenced in a similar way. Thus, the best approximation of the two helicity-dependent cross sections for the free neutron is obtained by combining the asymmetry E measured with quasi-free neutrons and the unpolarized cross section corrected for FSI effects under the assumption that the FSI effects are similar for neutrons and protons.

Quasi-particles at finite temperatures

International Nuclear Information System (INIS)

Narnhofer, H.; Thirring, W.; Requardt, M.

1983-01-01

We study the consequences of the KMS-condition on the properties of quasi-particles, assuming their existence. We establish: (i) If the correlation functions decay sufficiently, we can create them by quasi-free field operators. (ii) There are many age-operators T conjugate to H. For special forms of the dispersion law epsilon(k) of the quasi-particles there is a T commuting with the; (iii) There are many age-operators T conjugate to H. For special forms of the dispersion law epsilon(k) of the quasi-particles there is a T commuting with the number of quasi-particles and its time-monotonicity describes how the quasi-particles travel to infinity. (orig.)

Linear free energy relationships between aqueous phase hydroxyl radical reaction rate constants and free energy of activation.

Science.gov (United States)

Minakata, Daisuke; Crittenden, John

2011-04-15

The hydroxyl radical (HO(•)) is a strong oxidant that reacts with electron-rich sites on organic compounds and initiates complex radical chain reactions in aqueous phase advanced oxidation processes (AOPs). Computer based kinetic modeling requires a reaction pathway generator and predictions of associated reaction rate constants. Previously, we reported a reaction pathway generator that can enumerate the most important elementary reactions for aliphatic compounds. For the reaction rate constant predictor, we develop linear free energy relationships (LFERs) between aqueous phase literature-reported HO(•) reaction rate constants and theoretically calculated free energies of activation for H-atom abstraction from a C-H bond and HO(•) addition to alkenes. The theoretical method uses ab initio quantum mechanical calculations, Gaussian 1-3, for gas phase reactions and a solvation method, COSMO-RS theory, to estimate the impact of water. Theoretically calculated free energies of activation are found to be within approximately ±3 kcal/mol of experimental values. Considering errors that arise from quantum mechanical calculations and experiments, this should be within the acceptable errors. The established LFERs are used to predict the HO(•) reaction rate constants within a factor of 5 from the experimental values. This approach may be applied to other reaction mechanisms to establish a library of rate constant predictions for kinetic modeling of AOPs.

The (e,e'p) reaction

International Nuclear Information System (INIS)

Mougey, J.

1979-01-01

Quasi-free scattering (e,e'p) experiments on light and medium nuclei performed at the Saclay 600 MeV Linear Accelerator are described. Interpretation of the measured spectral function in terms of single hole state momentum and energy distributions is discussed. A marked discrepancy with an energy weighted sum rule indicates the deviations from independant particle shell model and the need for a better theoretical description of the reaction

A model of quasi-free scattering with polarized protons

International Nuclear Information System (INIS)

Teodoro, M.R.

1976-01-01

A quantitative evaluation, based on a simple model for spin-free coplanar and asymmetric reaction in 16 O, for 215 MeV incoming polarized protons confirms the use of the strong effective polarization of the knocked-out proton by the spin-orbit coupling and of the strong dependence of free, medium energy, proton-proton cross section on the relative orientation of the proton spins. Effective polarizations, momentum distributions and correlation cross sections have been calculated for the 1p sub(1/2), 1 p sub(3/2) and 1s sub(1/2) states in 16 O, using protons totally polarized orthogonal to the scattering plane. Harmonic oscillator and square wells have been used to generate the bound state wave functions, whereas the optical potentials have been taken spin-independent and purely imaginary [pt

Measurement of activation cross sections for quasi-monoenergetic neutron induced reactions of {sup 89}Y

Energy Technology Data Exchange (ETDEWEB)

Zaman, Muhammad; Kim, Guinyun; Kim, Kwangsoo; Nadeem, Muhammad [Kyungpook National University, Department of Physics and Center for High Energy Physics, Daegu (Korea, Republic of); Naik, Haladhara [Kyungpook National University, Department of Physics and Center for High Energy Physics, Daegu (Korea, Republic of); Bhabha Atomic Research Centre, Radiochemistry Division, Mumbai (India); Lee, Manwoo [Dongnam Inst. of Radiological and Medical Sciences, Research Center, Busan (Korea, Republic of)

2017-09-15

The neutron induced cross sections of the {sup 89}Y(n, 2n){sup 88}Y, {sup 89}Y(n, 3n){sup 87}Y and {sup 89}Y(n, 4n){sup 86}Y reactions were measured in the neutron energy range of 15.2 to 37.2 MeV by using an activation and off-line γ-ray spectrometric technique. The quasi-monoenergetic neutrons used for the above reactions are based on a {sup 9}Be(p, n) reaction. Simulations of the neutron spectra from the Be target were done using the MCNPX 2.6.0 program. Theoretical calculations were performed for the {sup 89}Y(n, 2n){sup 88}Y, {sup 89}Y(n, 3n){sup 87}Y and {sup 89}Y(n, 4n){sup 86}Y reaction cross sections using nuclear model code Talys 1.8. The measured and calculated cross sections were compared with the literature data given in EXFOR and the TENDL-2015 data libraries. The present data of the {sup 89}Y(n, xn) reaction were also compared with the similar data of the {sup 89}Y(γ, xn) reaction to examine the effect of the entrance channel parameters as well as the role of projectiles and ejectiles. (orig.)

Study of the (p,pd), (p,pt) and (p,p3He) reactions on 12C and 16O at 75MeV

International Nuclear Information System (INIS)

Grossiord, J.Y.; Bedjidian, M.; Guichard, A.; Gusakow, M.; Pizzi, J.R.

1975-01-01

The (p,pd), (p,pt) and (p,p 3 He) quasi-free scattering reactions have been studied on 12 C and 16 O targets at 75MeV. The low lying excitation levels of the residual nuclei have been observed. The appearance of T=1 states in 10 B and 14 N and of positive parity states in 13 N and 13 C can only be explained by reaction mechanisms more complex than a simple quasi-free scattering. A comparison of relative values of experimental spectroscopic factors with theoretical calculations has been made in the case of the most populated states [fr

Flexible, cathodoluminescent and free standing mesoporous silica films with entrapped quasi-2D perovskites

Science.gov (United States)

Vassilakopoulou, Anastasia; Papadatos, Dionysios; Koutselas, Ioannis

2017-04-01

The effective entrapment of hybrid organic-inorganic semiconductors (HOIS) into mesoporous polymer-silica hybrid matrices, formed as free standing flexible films, is presented for the first time. A blend of quasi-2D HOIS, simply synthesized by mixing two-dimensional (2D) and three dimensional (3D) HOIS, exhibiting strong photoluminescence, is embedded into porous silica matrices during the sol-gel synthesis, using tetraethylorthosilicate as precursor and Pluronic F-127 triblock copolymer as structure directing agent, under acidic conditions. The final nanostructure hybrid forms flexible, free standing films, presenting high cathodoluminescence and long stable excitonic luminescence, indicating the protective character of the hybrid matrix towards the entrapped perovskite. A significant result is that the photoluminescence of the entrapped HOIS is not affected even after films' prolonged exposure to water.

Free radical reactions of daunorubicin

International Nuclear Information System (INIS)

Houee-Levin, C.

1991-01-01

Daunorubicin is an antitumor antibiotic activated in vivo by reduction. Its mechanism of action involves DNA and topoisomerase attack, but side effects are cytotoxicity related to free radical formation. Therefore the mechanism of the one-electron reduction of the drug and the reactions of the daunorubicin transients towards compounds of biological interest have been studied by the methods of radiolysis, in order to provide possible explanations of the drug mechanism of action. Their relative importance in cellular conditions is discussed [fr

Free radical reaction characteristics of coal low-temperature oxidation and its inhibition method.

Science.gov (United States)

Li, Zenghua; Kong, Biao; Wei, Aizhu; Yang, Yongliang; Zhou, Yinbo; Zhang, Lanzhun

2016-12-01

Study on the mechanism of coal spontaneous combustion is significant for controlling fire disasters due to coal spontaneous combustion. The free radical reactions can explain the chemical process of coal at low-temperature oxidation. Electron spin resonance (ESR) spectroscopy was used to measure the change rules of the different sorts and different granularity of coal directly; ESR spectroscopy chart of free radicals following the changes of temperatures was compared by the coal samples applying air and blowing nitrogen, original coal samples, dry coal samples, and demineralized coal samples. The fragmentation process was the key factor of producing and initiating free radical reactions. Oxygen, moisture, and mineral accelerated the free radical reactions. Combination of the free radical reaction mechanism, the mechanical fragmentation leaded to the elevated CO concentration, fracturing of coal pillar was more prone to spontaneous combustion, and spontaneous combustion in goaf accounted for a large proportion of the fire in the mine were explained. The method of added diphenylamine can inhibit the self-oxidation of coal effectively, the action mechanism of diphenylamine was analyzed by free radical chain reaction, and this research can offer new method for the development of new flame retardant.

Polarization Observables T and F in single π0- and η-Photoproduction off quasi-free Nucleons

Directory of Open Access Journals (Sweden)

Strub Thomas

2014-01-01

Single π0- and η-photoproduction off a transversally polarized d-butanol target has been measured with circularly polarized bremsstrahlung photons generated by the MAMI-C electron microtron. With the nearly 4π acceptance of the combined Crystal Ball/TAPS setup the double polarization observable F and the target asymmetry T can be extracted for the first time for polarized, quasi-free neutrons over a wide energy and angular range.

Smoke-Free School Policy and Exposure to Secondhand Smoke: A Quasi-Experimental Analysis.

Science.gov (United States)

Azagba, Sunday; Kennedy, Ryan David; Baskerville, Neill Bruce

2016-02-01

Tobacco control prevention efforts are important to protect people from exposure to dangerous tobacco smoke, support cessation, and reduce tobacco-use initiation. While smoke-free laws have been a widespread tobacco control strategy, little work has been done to examine the impact of smoke-free school policies. The objective of this study is to evaluate the impact of provincial smoke-free school ground policies on youth-reported exposure to secondhand smoke (SHS) on school property. This study used a nationally representative sample of 20 388 youth aged 15-18 from the 2005-2012 Canadian Tobacco Use Monitoring Survey. A quasi-experimental design was used to evaluate the impact of smoke-free school policies on SHS exposure. Approximately over half (52%) of respondents reported SHS exposure on a school property in the past month. Smoke-free school policy had a statistically significant effect on SHS exposure. Specifically, the adoption of smoke-free school reduced the probability of SHS exposure by about 8 percentage points. Respondents who were smokers were more likely to report being exposed to SHS than nonsmokers. Likewise, those living in urban areas had higher probability of being exposed to SHS than those living in rural parts of Canada. Reported exposure to tobacco smoke did decrease after the introduction of smoke-free ground policies; however, almost half of high-school aged youth report exposure in the last month. Across Canada, provincial health authorities as well as school administers may need to assess the implementation of these smoke-free policies and improve enforcement strategies to further reduce exposure to dangerous SHS. © The Author 2015. Published by Oxford University Press on behalf of the Society for Research on Nicotine and Tobacco.

Spectator invariance test in the study of the Trojan Horse Method 6,7Li fusion reactions via the Trojan Horse Method

Directory of Open Access Journals (Sweden)

Li C.

2011-10-01

Full Text Available Fusion reactions play a crucial role for several astrophysical scenarios. At the low energies typical of such environments direct measurements of reaction cross sections are very difficult, and even sometimes impossible. In such cases the use of indirect methods can give a substantial help. The Trojan Horse Method (THM is based on the quasi-free break-up of a nucleus, which can be described in terms of a cluster structure. In such applications the independence of THM results with different break-up schemes, was tested using the quasi free3 He(6Li,ααH and 3He(7Li,αα2H reactions. Results were then compared with the direct behaviours obtained from available data as well as with the cross sections extracted from previous indirect investigations of the same binary reactions using a different nuclide as a Trojan Horse nucleus.

The quasi-ballistic model of electron mobility in liquid hydrocarbons

International Nuclear Information System (INIS)

Mozumder, A.

1996-01-01

A phenomenological theory of low-mobility liquid hydrocarbons is developed which includes electron ballistic motion in the quasi-free state, in competition with diffusion and trapping. For most low-mobility liquids the theory predicts consistently the effective mobility and activation energy, in agreement with experiments, using quasi-free mobility and trap density respectively as ∼ 100 cm 2 v -1 s -1 and ∼ 10 19 cm -3 . Field dependence of mobility if theoretically of quadratic type for relatively small fields, agreeing approximately with experimental data for n-hexane. Electron scavenging with ''good'' scavengers occurs via the quasi-free state at nearly diffusion-controlled rate; however the effect of large mean free path is seen clearly. (author)

Communication: Limitations of the stochastic quasi-steady-state approximation in open biochemical reaction networks

Science.gov (United States)

Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

2011-11-01

It is commonly believed that, whenever timescale separation holds, the predictions of reduced chemical master equations obtained using the stochastic quasi-steady-state approximation are in very good agreement with the predictions of the full master equations. We use the linear noise approximation to obtain a simple formula for the relative error between the predictions of the two master equations for the Michaelis-Menten reaction with substrate input. The reduced approach is predicted to overestimate the variance of the substrate concentration fluctuations by as much as 30%. The theoretical results are validated by stochastic simulations using experimental parameter values for enzymes involved in proteolysis, gluconeogenesis, and fermentation.

Free Br atom and free radical reactions in the radiolysis of 1,2 dibromoethane (DBE) in air free aqueous solutions

International Nuclear Information System (INIS)

Lal, Manohar

1986-01-01

G(Br - ) have been reported in the free radical degradation of 1,2 DBE in Ar - and N 2 O-saturated solutions. It is clear from the results that a small chain reaction occurs, t-butanol radical reacts with 1,2 DBE to give Br - . At pH 12.3, high (Br - ) are attributed to another chain reaction involving O - radical anion. Dose rate studies confirm the occurrence of chain reaction. (author). 5 refs

Solvent-Free Wittig Reaction: A Green Organic Chemistry Laboratory Experiment

Science.gov (United States)

Leung, Sam H.; Angel, Stephen A.

2004-01-01

Some Wittig reactions can be carried out by grinding the reactants in a mortar with a pestle for about 20 minutes, as per investigation. A laboratory experiment involving a solvent-free Wittig reaction that can be completed in a three-hour sophomore organic chemistry laboratory class period, are developed.

Accurate label-free reaction kinetics determination using initial rate heat measurements

Science.gov (United States)

Ebrahimi, Kourosh Honarmand; Hagedoorn, Peter-Leon; Jacobs, Denise; Hagen, Wilfred R.

2015-01-01

Accurate label-free methods or assays to obtain the initial reaction rates have significant importance in fundamental studies of enzymes and in application-oriented high throughput screening of enzyme activity. Here we introduce a label-free approach for obtaining initial rates of enzyme activity from heat measurements, which we name initial rate calorimetry (IrCal). This approach is based on our new finding that the data recorded by isothermal titration calorimetry for the early stages of a reaction, which have been widely ignored, are correlated to the initial rates. Application of the IrCal approach to various enzymes led to accurate enzyme kinetics parameters as compared to spectroscopic methods and enabled enzyme kinetic studies with natural substrate, e.g. proteases with protein substrates. Because heat is a label-free property of almost all reactions, the IrCal approach holds promise in fundamental studies of various enzymes and in use of calorimetry for high throughput screening of enzyme activity. PMID:26574737

Medium effects on spin observables of proton knockout reactions

International Nuclear Information System (INIS)

Krein, G.; Maris, T.A.J.; Rodrigues, B.B.; Veit, E.A.

1994-07-01

Medium modifications of the properties of bound nucleons and mesons are investigated by means of medium energy quasi free proton knockout reactions with polarized incident protons. The sensitivity of the spin observables of these reactions to modifications of the nucleon and meson properties is studied using the Bonn one-boson exchange model of the nucleon-nucleon interaction. A method proposed to extract the pp analysing power in medium from the (p, 2 p) asymmetries indicates a reduction of this quantity compared to its free space value. This reduction is linked to modifications of masses and coupling constants of the nucleons and mesons in the nucleus. The implications of these modifications for another spin observable to be measured in the future are discussed. (author). 39 refs, 9 figs

Medium effects on spin observables of proton knockout reactions

Energy Technology Data Exchange (ETDEWEB)

Krein, G [Instituto de Fisica Teorica (IFT), Sao Paulo, SP (Brazil); Maris, T A.J.; Rodrigues, B B; Veit, E A [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica

1994-07-01

Medium modifications of the properties of bound nucleons and mesons are investigated by means of medium energy quasi free proton knockout reactions with polarized incident protons. The sensitivity of the spin observables of these reactions to modifications of the nucleon and meson properties is studied using the Bonn one-boson exchange model of the nucleon-nucleon interaction. A method proposed to extract the pp analysing power in medium from the (p, 2 p) asymmetries indicates a reduction of this quantity compared to its free space value. This reduction is linked to modifications of masses and coupling constants of the nucleons and mesons in the nucleus. The implications of these modifications for another spin observable to be measured in the future are discussed. (author). 39 refs, 9 figs.

Effects of nuclear structure on quasi-fission

International Nuclear Information System (INIS)

Simenel, Cedric; Wakhle, Aditya; Hinde, D.J.; Rietz, R. du; Dasgupta, M.; Evers, M.; Lin, C.J.; Luong, D.H.; Avez, B.

2012-01-01

The quasi-fission mechanism hinders fusion of heavy systems because of a mass flow between the reactants, leading to a re-separation of more symmetric fragments in the exit channel. A good understanding of the competition between fusion and quasi-fission mechanisms is expected to be of great help to optimize the formation and study of heavy and superheavy nuclei. Quantum microscopic models, such as the time-dependent Hartree-Fock approach, allow for a treatment of all degrees of freedom associated to the dynamics of each nucleon. This provides a description of the complex reaction mechanisms, such as quasi-fission, with no parameter adjusted on reaction mechanisms. In particular, the role of the deformation and orientation of a heavy target, as well as the entrance channel magicity and isospin are investigated with theoretical and experimental approaches. (authors)

Free energy for protonation reaction in lithium-ion battery cathode materials

International Nuclear Information System (INIS)

Benedek, R.; Thackeray, M. M.; van de Walle, A.

2008-01-01

Calculations are performed of free energies for proton-for-lithium-ion exchange reactions in lithium-ion battery cathode materials. First-principles calculations are employed for the solid phases and tabulated ionization potential and hydration energy data for aqueous ions. Layered structures, spinel LiMn 2 O 4 , and olivine LiFePO 4 are considered. Protonation is most favorable energetically in layered systems, such as Li 2 MnO 3 and LiCoO 2 . Less favorable are ion-exchange in spinel LiMn 2 O 4 and LiV 3 O 8 . Unfavorable is the substitution of protons for Li in olivine LiFePO 4 , because of the large distortion of the Fe and P coordination polyhedra. The reaction free energy scales roughly linearly with the volume change in the reaction

Study of the 17O(n,α)14C reaction: Extension of the Trojan Horse Method to neutron induced reactions

International Nuclear Information System (INIS)

Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L.; Gulino, M.; Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; Boer, R. de; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M.

2014-01-01

The experimental study of the 17 O(n,α) 14 C reaction has been performed in the energy range 0-350 keV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the 17 O(n,α) 14 C reaction has been studied using the quasi-free 2 H( 17 O,α 14 C) 1 H reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the ℓ=3, 75 keV resonance (E*=8.125 MeV, J π =5 − ), absent in the available direct measurements because of centrifugal suppression effects

Selective free radical reactions using supercritical carbon dioxide.

Science.gov (United States)

Cormier, Philip J; Clarke, Ryan M; McFadden, Ryan M L; Ghandi, Khashayar

2014-02-12

We report herein a means to modify the reactivity of alkenes, and particularly to modify their selectivity toward reactions with nonpolar reactants (e.g., nonpolar free radicals) in supercritical carbon dioxide near the critical point. Rate constants for free radical addition of the light hydrogen isotope muonium to ethylene, vinylidene fluoride, and vinylidene chloride in supercritical carbon dioxide are compared over a range of pressures and temperatures. Near carbon dioxide's critical point, the addition to ethylene exhibits critical speeding up, while the halogenated analogues display critical slowing. This suggests that supercritical carbon dioxide as a solvent may be used to tune alkene chemistry in near-critical conditions.

Hyperon polarisation in the reaction p-bar sup 1 sup 2 C -> LAMBDA-bar LAMBDA X

CERN Document Server

Pomp, S; Bröders, R; Bunker, B; Dennert, H; Eisenstein, R E; Eyrich, W; Fischer, H; Franklin, G; Franz, J; Geyer, R; Harris, P; Hauffe, J; Hertzog, D; Johansson, T; Jones, T; Kilian, K; Kraft, R A; Meyer, C; Oelert, W; Quinn, B; Röhrich, K; Rössle, E; Sachs, K; Schmitt, H; Schumacher, R; Sefzick, T; Stinzing, F; Tayloe, R; Todenhagen, R; Traneus, E; Wirth, S

2000-01-01

Data from the p-bar sup 1 sup 2 C -> LAMBDA-bar LAMBDA X reaction, collected by the PS185 experiment at antiproton momenta around 1.44 GeV/c, 1.66 GeV/c and 1.77 GeV/c, have been analyzed and the LAMBDA and LAMBDA-bar polarisations have been extracted. The events are classified as quasi-free or non-quasi-free and it is found that the polarisations for LAMBDA and LAMBDA-bar differ in the latter case. Such an effect comes from differences in the interaction of the outgoing LAMBDA and LAMBDA-bar with the residual nucleus and the measurement constitutes the first information on LAMBDA-bar interaction with nuclear matter.

Interpretation of Quasi-Isothermal Thermogravimetric Weight Curves

DEFF Research Database (Denmark)

Sørensen, Ole Toft

1979-01-01

Quasi-isothermal analysis (QIA) is a very useful technique. Compared to conventional non-isothermal thermogravimetry, close-lying reactions can easily be separated by use of this method and kinetic data can be obtained for each intermediate reaction in a single run. This paper discusses the shape...

Report of study meeting on nuclear physics of quasi-elastic scattering

International Nuclear Information System (INIS)

1992-10-01

This meeting was held for three days from June 8 to 10, 1992, as one of the study meetings of Research Center for Nuclear Physics, Osaka University. The lectures were given on spin observables in quasi-elastic scattering, calculation of spin observables in 12 C, 40 Ca(p,n) reaction in quasifree scattering region, present state of quasi-elastic scattering, first results of (p,n) quasifree scattering with the new facility of the RCNP, spin-isospin response function and effect of Δ-hole configuration in finite nuclei, effective polarization of nuclei and observed amount of spin, (p,2p) measurement in the RCNP, quasi-elastic scattering in 2 H, 3 He and 4 He of polarized protons, quasifree Δ formation, 3 He(gamma, pπ ± ) reaction in Δ region, search for isobar components in 3 He by quasifree knockout studies, nonquasi-elastic process in photonuclear reaction, QF and NQF processes in gamma d→π + π - pn, coincidence scattering experiment in quasi-elastic scattering region, exclusive electron scattering of 3 He with full inclusion of final state interaction, quasi-elastic electron scattering and internucleon correlation and 13 other themes. (K.I.)

The Emergence of a Fourth Type of Public Forum: Is the Quasi-Nonpublic Forum a New Paradigm for Student Free Speech Cases?

Science.gov (United States)

Lugg, Elizabeth T.; Paterson, Frances R. A.

This paper is a presentation, in outline form, of the development of the "quasi-nonpublic forum," where cases involving student free speech push the envelope of what is acceptable under Constitutional law and what is appropriate/acceptable student behavior under constraints set by school regulations. Context is set by presenting court…

Elastic scattering and quasi-elastic transfers

International Nuclear Information System (INIS)

Mermaz, M.C.

1978-01-01

Experiments are presented which it will be possible to carry out at GANIL on the elastic scattering of heavy ions: diffraction phenomena if the absorption is great, refraction phenomena if absorption is low. The determination of the optical parameters can be performed. The study of the quasi-elastic transfer reactions will make it possible to know the dynamics of the nuclear reactions, form exotic nuclei and study their energy excitation spectrum, and analyse the scattering and reaction cross sections [fr

Polarization phenomena in knock-out reactions and the structure of the deuteron

International Nuclear Information System (INIS)

Kolybasov, V.M.

1996-01-01

Basic picture is given for polarization phenomena in quasi-free processes. It can be used as simple and universal starting point for polarization investigations. The generalization of Treiman-Yang test serves for the identification of the reaction mechanism. The expressions for above-mentioned characteristics show the way to obtain new information on D-wave deuteron function and thereby to refine tensor terms of N N-potential [ru

Interpretation of quasi-elastic barrier distributions for weakly bound systems

International Nuclear Information System (INIS)

Monteiro, D.S.; Gomes, P.R.S.; Lubian, J.

2009-01-01

Full text: We verify that quasi-elastic (elastic + inelastic) backscattering barrier distributions for weakly bound systems do not strictly correspond to fusion barrier distributions, but rather to reaction threshold distribution, as proposed by Zagrebaev in a recent paper concerning very heavy systems. In this work, we investigate whether Zagrebaevs interpretation is valid by comparing experimental results obtained in two very recent works with the 6 Li + 144 Sm system. Monteiro et al derived the quasi-elastic barrier distribution (or reaction threshold distribution, following Zagrebaevs interpretation) by adding elastic and inelastic backscattering for this system. Rath et al obtained fusion barrier distribution for the same system from the measured complete fusion cross section for the same system. We conclude that the quasi-elastic barrier distributions can be associated with fusion barrier distributions only in situations where there are no relevant reaction channels apart from fusion. This is not the situation for very heavy nor for weakly bound systems. (author)

Multi-quasi-particle states in 173Hf

International Nuclear Information System (INIS)

Fabricius, B.; Dracoulis, G.D.; Kibedi, T.; Stuchbery, A.E.; Baxter, A.M.

1991-01-01

Rotational bands built on 1, 3 and 5 quasi-particle (qp) states in 173 Hf have been populated to medium and high spins through the 160 Gd( 18 O, 5n) reaction. The 1qp bands, previously identified as the 1/2 - [521], 5/2 - [512] and 7/2 + [633] (mixed i 13/2 ) Nilsson configurations, have been extended past the first back-bend and show different alignment properties, possibly originating from deformation differences. The multi-particle states were identified from excitation energies, the properties of their associated band structures and decay patterns. The 3qp states are the previously known K π =19/2 + and 23/2 - isomeric states originating from the 7/2 + [633] quasi-neutron coupled to the 6 + and 8 - , 2-quasi-proton excitations and a K π =(13/2 + ) state possibly containing the three lowest quasi-neutrons. A 5qp state with K π =(29/2 - ) was identified as the same three lowest lying quasi-neutrons coupled to the 8 - , 2-quasi-proton excitation. The low excitation energies of these two related 3- and 5-quasi-particle states implies a reduced neutron pairing gap, which can be attributed to the effect of blocking. (orig.)

Study of the {sup 17}O(n,α){sup 14}C reaction: Extension of the Trojan Horse Method to neutron induced reactions

Energy Technology Data Exchange (ETDEWEB)

Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L. [INFN - Laboratori Nazionali del Sud, Catania, Italy and Department of Physics and Astronomy, University of Catania, Catania (Italy); Gulino, M. [INFN - Laboratori Nazionali del Sud, Catania, Italy and University of Enna (Italy); Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; Boer, R. de; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M. [Department of Physics and Joint Institute for Nuclear Astrophysics, University of Notre Dame, IN (United States); and others

2014-05-02

The experimental study of the {sup 17}O(n,α){sup 14}C reaction has been performed in the energy range 0-350 keV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the {sup 17}O(n,α){sup 14}C reaction has been studied using the quasi-free {sup 2}H({sup 17}O,α{sup 14}C){sup 1}H reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the ℓ=3, 75 keV resonance (E*=8.125 MeV, J{sup π}=5{sup −}), absent in the available direct measurements because of centrifugal suppression effects.

In situ fabrication of quasi-free-standing epitaxial graphene nanoflakes on gold.

Science.gov (United States)

Leicht, Philipp; Zielke, Lukas; Bouvron, Samuel; Moroni, Riko; Voloshina, Elena; Hammerschmidt, Lukas; Dedkov, Yuriy S; Fonin, Mikhail

2014-04-22

Addressing the multitude of electronic phenomena theoretically predicted for confined graphene structures requires appropriate in situ fabrication procedures yielding graphene nanoflakes (GNFs) with well-defined geometries and accessible electronic properties. Here, we present a simple strategy to fabricate quasi-free-standing GNFs of variable sizes, performing temperature programmed growth of graphene flakes on the Ir(111) surface and subsequent intercalation of gold. Using scanning tunneling microscopy (STM), we show that epitaxial GNFs on a perfectly ordered Au(111) surface are formed while maintaining an unreconstructed, singly hydrogen-terminated edge structure, as confirmed by the accompanying density functional theory (DFT) calculations. Using tip-induced lateral displacement of GNFs, we demonstrate that GNFs on Au(111) are to a large extent decoupled from the Au(111) substrate. The direct accessibility of the electronic states of a single GNF is demonstrated upon analysis of the quasiparticle interference patterns obtained by low-temperature STM. These findings open up an interesting playground for diverse investigations of graphene nanostructures with possible implications for device fabrication.

Silica Gel-Mediated Organic Reactions under Organic Solvent-Free Conditions

Directory of Open Access Journals (Sweden)

Satoaki Onitsuka

2012-09-01

Full Text Available Silica gel was found to be an excellent medium for some useful organic transformations under organic solvent-free conditions, such as (1 the Friedel-Crafts-type nitration of arenes using commercial aqueous 69% nitric acid alone at room temperature, (2 one-pot Wittig-type olefination of aldehydes with activated organic halides in the presence of tributyl- or triphenylphosphine and Hunig’s base, and (3 the Morita-Baylis-Hillman reaction of aldehydes with methyl acrylate. After the reactions, the desired products were easily obtained in good to excellent yields through simple manipulation.

Continuous protein concentration via free-flow moving reaction boundary electrophoresis.

Science.gov (United States)

Kong, Fanzhi; Zhang, Min; Chen, Jingjing; Fan, Liuyin; Xiao, Hua; Liu, Shaorong; Cao, Chengxi

2017-07-28

In this work, we developed the model and theory of free-flow moving reaction boundary electrophoresis (FFMRB) for continuous protein concentration for the first time. The theoretical results indicated that (i) the moving reaction boundary (MRB) can be quantitatively designed in free-flow electrophoresis (FFE) system; (ii) charge-to-mass ratio (Z/M) analysis could provide guidance for protein concentration optimization; and (iii) the maximum processing capacity could be predicted. To demonstrate the model and theory, three model proteins of hemoglobin (Hb), cytochrome C (Cyt C) and C-phycocyanin (C-PC) were chosen for the experiments. The experimental results verified that (i) stable MRBs with different velocities could be established in FFE apparatus with weak acid/weak base neutralization reaction system; (ii) proteins of Hb, Cyt C and C-PC were well concentrated with FFMRB; and (iii) a maximum processing capacity and recovery ratio of Cyt C enrichment were 126mL/h and 95.5% respectively, and a maximum enrichment factor was achieved 12.6 times for Hb. All of the experiments demonstrated the protein concentration model and theory. In contrast to other methods, the continuous processing ability enables FFMRB to efficiently enrich diluted protein or peptide in large volume solution. Copyright © 2017 Elsevier B.V. All rights reserved.

Hydromagnetic quasi-geostrophic modes in rapidly rotating planetary cores

DEFF Research Database (Denmark)

Canet, E.; Finlay, Chris; Fournier, A.

2014-01-01

The core of a terrestrial-type planet consists of a spherical shell of rapidly rotating, electrically conducting, fluid. Such a body supports two distinct classes of quasi-geostrophic (QG) eigenmodes: fast, primarily hydrodynamic, inertial modes with period related to the rotation time scale...... decreases toward the outer boundary in a spherical shell, QG modes tend to be compressed towards the outer boundary. Including magnetic dissipation, we find a continuous transition from diffusionless slow magnetic modes into quasi-free decay magnetic modes. During that transition (which is controlled......, or shorter than, their oscillation time scale.Based on our analysis, we expect Mercury to be in a regime where the slow magnetic modes are of quasi-free decay type. Earth and possibly Ganymede, with their larger Elsasser numbers, may possess slow modes that are in the transition regime of weak diffusion...

Electron screening effects in (p,α) reactions induced on boron isotopes studied via the Trojan Horse Method

International Nuclear Information System (INIS)

Lamia, L; Spitaleri, C; Cherubini, S; Gulino, M; Puglia, S M R; Rapisarda, G G; Romano, S; Sergi, M L; Carlin, N; Gameiro Munhoz, M; Gimenez Del Santo, M; Kiss, G G; Somorjai, E; Kroha, V; Kubono, S; La Cognata, M; Pizzone, R G; Li, C; Wen, Qungang; Mukhamedzhanov, A

2013-01-01

The Trojan Horse Method is a powerful indirect technique allowing one to measure the bare nucleus S(E)-factor and the electron screening potential for astrophysically relevant reactions without the needs of extrapolations. The case of the (p,α) reactions induced on the two boron isotopes 10,11 B is here discussed in view of the recent Trojan Horse (TH) applications to the quasi-free 10,11 B+ 2 H reactions. The comparison between the TH and the low-energy direct data allowed us to determine the electron screening potential for the 11 B(p,α) reaction, while preliminary results on the 10 B(p,α) reaction have been extracted.

Multi-quasi-particles states in 173Hf

International Nuclear Information System (INIS)

Fabricius, B.; Dracoulis, G.D.; Kibedi, T.; Stuchbery, A.E.; Baxter, A.M.

1990-10-01

Rotational bands built on 1, 3 and 5 quasi-particle (qp) states in 173 Hf have been populated to medium and high spins through the 160 Gd ( 18 O,5n) reaction. The 1qp bands, previously identified as the 1/2 - [521], 5/2 - [512] and 7/2 + [633] (mixed i 1 3 /2 ) Nilsson configurations, have been extended past the first back-bend and show different alignment properties, possibly originating from deformation differences. The multi-particle states were identified from excitation energies, the properties of their associated band structures and decay patterns. The 3 qp states are the previously known K π 19/2 + and 23/2 - isomeric states originating from the 7/2 + [633] quasi-neutron coupled to the 6 + and 8 - , 2-quasi-proton excitations and a K π = (13/2 + ) state possibly containing the three lowest quasi-neutrons. A 5 qp state with K π = (29/2 - ) was identified as the same three lowest lying quasi-neutrons coupled to the 8 - , 2-quasi-proton excitation. The low excitation energies of these two related 3- and 5-quasi-particle states implies a reduced neutron pairing gap, which can be attributed to the effect of blocking. 28 refs., 2 tabs., 9 figs

Alkali silica reaction (ASR) in cement free alkali activated sustainable concrete.

Science.gov (United States)

2016-12-19

This report summarizes the findings of an experimental evaluation into alkali silica : reaction (ASR) in cement free alkali-activated slag and fly ash binder concrete. The : susceptibility of alkali-activated fly ash and slag concrete binders to dele...

The geometry of the thermal quasi-particle transformation

International Nuclear Information System (INIS)

Henning, P.A.; Technische Hochschule Darmstadt; Graf, M.; Matthaeus, F.

1991-12-01

We introduce a new concept for thermal quantum theories, which expresses a time dependent quasi-particle picture as the coupling to an external (classical) gauge field. The non-abelian nature of this field even for quasi-free systems can lead to renormalization factors that depend on the system's history. In this framework, the geometry of adiabatic time evolutions is investigated in detail, and implications for non-equilibrium systems are discussed. (orig.)

Development of linear free energy relationships for aqueous phase radical-involved chemical reactions.

Science.gov (United States)

Minakata, Daisuke; Mezyk, Stephen P; Jones, Jace W; Daws, Brittany R; Crittenden, John C

2014-12-02

Aqueous phase advanced oxidation processes (AOPs) produce hydroxyl radicals (HO•) which can completely oxidize electron rich organic compounds. The proper design and operation of AOPs require that we predict the formation and fate of the byproducts and their associated toxicity. Accordingly, there is a need to develop a first-principles kinetic model that can predict the dominant reaction pathways that potentially produce toxic byproducts. We have published some of our efforts on predicting the elementary reaction pathways and the HO• rate constants. Here we develop linear free energy relationships (LFERs) that predict the rate constants for aqueous phase radical reactions. The LFERs relate experimentally obtained kinetic rate constants to quantum mechanically calculated aqueous phase free energies of activation. The LFERs have been applied to 101 reactions, including (1) HO• addition to 15 aromatic compounds; (2) addition of molecular oxygen to 65 carbon-centered aliphatic and cyclohexadienyl radicals; (3) disproportionation of 10 peroxyl radicals, and (4) unimolecular decay of nine peroxyl radicals. The LFERs correlations predict the rate constants within a factor of 2 from the experimental values for HO• reactions and molecular oxygen addition, and a factor of 5 for peroxyl radical reactions. The LFERs and the elementary reaction pathways will enable us to predict the formation and initial fate of the byproducts in AOPs. Furthermore, our methodology can be applied to other environmental processes in which aqueous phase radical-involved reactions occur.

Quasi-Airy beams along tunable propagation trajectories and directions.

Science.gov (United States)

Qian, Yixian; Zhang, Site

2016-05-02

We present a theoretical and experimental exhibit that accelerates quasi-Airy beams propagating along arbitrarily appointed parabolic trajectories and directions in free space. We also demonstrate that such quasi-Airy beams can be generated by a tunable phase pattern, where two disturbance factors are introduced. The topological structures of quasi-Airy beams are readily manipulated with tunable phase patterns. Quasi-Airy beams still possess the characteristics of non-diffraction, self-healing to some extent, although they are not the solutions for paraxial wave equation. The experiments show the results are consistent with theoretical predictions. It is believed that the property of propagation along arbitrarily desired parabolic trajectories will provide a broad application in trapping atom and living cell manipulation.

Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model.

Science.gov (United States)

Kroonblawd, Matthew P; Pietrucci, Fabio; Saitta, Antonino Marco; Goldman, Nir

2018-04-10

We demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol -1 .

Quasi-topological Ricci polynomial gravities

Science.gov (United States)

Li, Yue-Zhou; Liu, Hai-Shan; Lü, H.

2018-02-01

Quasi-topological terms in gravity can be viewed as those that give no contribution to the equations of motion for a special subclass of metric ansätze. They therefore play no rôle in constructing these solutions, but can affect the general perturbations. We consider Einstein gravity extended with Ricci tensor polynomial invariants, which admits Einstein metrics with appropriate effective cosmological constants as its vacuum solutions. We construct three types of quasi-topological gravities. The first type is for the most general static metrics with spherical, toroidal or hyperbolic isometries. The second type is for the special static metrics where g tt g rr is constant. The third type is the linearized quasitopological gravities on the Einstein metrics. We construct and classify results that are either dependent on or independent of dimensions, up to the tenth order. We then consider a subset of these three types and obtain Lovelock-like quasi-topological gravities, that are independent of the dimensions. The linearized gravities on Einstein metrics on all dimensions are simply Einstein and hence ghost free. The theories become quasi-topological on static metrics in one specific dimension, but non-trivial in others. We also focus on the quasi-topological Ricci cubic invariant in four dimensions as a specific example to study its effect on holography, including shear viscosity, thermoelectric DC conductivities and butterfly velocity. In particular, we find that the holographic diffusivity bounds can be violated by the quasi-topological terms, which can induce an extra massive mode that yields a butterfly velocity unbound above.

The total quasi-steady-state approximation for complex enzyme reactions

DEFF Research Database (Denmark)

Pedersen, Morten Gram; Bersani, A. M.; Bersani, E.

2008-01-01

) approximation (or standard quasi-steady-state approximation (sQSSA)), which is valid when the enzyme concentration is sufficiently small. This condition is usually fulfilled for in vitro experiments, but often breaks down in vivo. The total QSSA (tQSSA), which is valid for a broader range of parameters covering...

Effect of free-particle collisions in high energy proton and pion-induced nuclear reactions

International Nuclear Information System (INIS)

Jacob, N.P. Jr.

1975-07-01

The effect of free-particle collisions in simple ''knockout'' reactions of the form (a,aN) and in more complex nuclear reactions of the form (a,X) was investigated by using protons and pions. Cross sections for the 48 Ti(p,2p) 47 Sc and the 74 Ge(p,2p) 73 Ga reactions were measured from 0.3 to 4.6 GeV incident energy. The results indicate a rise in (p,2p) cross section for each reaction of about (25 +- 3) percent between the energies 0.3 and 1.0 GeV, and are correlated to a large increase in the total free-particle pp scattering cross sections over the same energy region. Results are compared to previous (p,2p) excitation functions in the GeV energy region and to (p,2p) cross section calculations based on a Monte Carlo intranuclear cascade-evaporation model. Cross section measurements for (π/sup +-/, πN) and other more complex pion-induced spallation reactions were measured for the light target nuclei 14 N, 16 O, and 19 F from 45 to 550 MeV incident pion energy. These measurements indicate a broad peak in the excitation functions for both (π,πN) and (π,X) reactions near 180 MeV incident energy. This corresponds to the large resonances observed in the free-particle π + p and π - p cross sections at the same energy. Striking differences in (π,πN) cross section magnitudes are observed among the light nuclei targets. The experimental cross section ratio sigma(π - ,π - n)/sigma(π + ,πN) at 180 MeV is 1.7 +- 0.2 for all three targets. The experimental results are compared to previous pion and analogous proton-induced reactions, to Monte Carlo intranuclear cascade-evaporation calculations, and to a semi-classical nucleon charge exchange model. (108 references) (auth)

Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase.

Science.gov (United States)

Asada, Toshio; Ando, Kanta; Bandyopadhyay, Pradipta; Koseki, Shiro

2016-09-08

A widely applicable free energy contribution analysis (FECA) method based on the quantum mechanical/molecular mechanical (QM/MM) approximation using response kernel approaches has been proposed to investigate the influences of environmental residues and/or atoms in the QM region on the free energy profile. This method can evaluate atomic contributions to the free energy along the reaction path including polarization effects on the QM region within a dramatically reduced computational time. The rate-limiting step in the deactivation of the β-lactam antibiotic cefalotin (CLS) by β-lactamase was studied using this method. The experimentally observed activation barrier was successfully reproduced by free energy perturbation calculations along the optimized reaction path that involved activation by the carboxylate moiety in CLS. It was found that the free energy profile in the QM region was slightly higher than the isolated energy and that two residues, Lys67 and Lys315, as well as water molecules deeply influenced the QM atoms associated with the bond alternation reaction in the acyl-enzyme intermediate. These facts suggested that the surrounding residues are favorable for the reactant complex and prevent the intermediate from being too stabilized to proceed to the following deacylation reaction. We have demonstrated that the free energy contribution analysis should be a useful method to investigate enzyme catalysis and to facilitate intelligent molecular design.

Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods

International Nuclear Information System (INIS)

Wang, Yan; Li, Jun; Guo, Hua; Chen, Liuyang; Yang, Minghui; Lu, Yunpeng

2015-01-01

An eight-dimensional quantum dynamical model is proposed and applied to the title reaction. The reaction probabilities and integral cross sections have been determined for both the ground and excited vibrational states of the two reactants. The results indicate that the H 2 stretching and CH 3 umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH 3 symmetric stretching mode has a negligible effect. The observed mode specificity is confirmed by full-dimensional quasi-classical trajectory calculations. The mode specificity can be interpreted by the recently proposed sudden vector projection model, which attributes the enhancement effects of the reactant modes to their strong couplings with the reaction coordinate at the transition state

The Trojan Horse method for nuclear astrophysics: Recent results for direct reactions

International Nuclear Information System (INIS)

Tumino, A.; Gulino, M.; Spitaleri, C.; Cherubini, S.; Romano, S.; Cognata, M. La; Pizzone, R. G.; Rapisarda, G. G.; Lamia, L.

2014-01-01

The Trojan Horse method is a powerful indirect technique to determine the astrophysical factor for binary rearrangement processes A+x→b+B at astrophysical energies by measuring the cross section for the Trojan Horse (TH) reaction A+a→B+b+s in quasi free kinematics. The Trojan Horse Method has been successfully applied to many reactions of astrophysical interest, both direct and resonant. In this paper, we will focus on direct sub-processes. The theory of the THM for direct binary reactions will be shortly presented based on a few-body approach that takes into account the off-energy-shell effects and initial and final state interactions. Examples of recent results will be presented to demonstrate how THM works experimentally

The Trojan Horse method for nuclear astrophysics: Recent results for direct reactions

Energy Technology Data Exchange (ETDEWEB)

Tumino, A.; Gulino, M. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania, Italy and Università degli Studi di Enna Kore, Enna (Italy); Spitaleri, C.; Cherubini, S.; Romano, S. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania, Italy and Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy); Cognata, M. La; Pizzone, R. G.; Rapisarda, G. G. [Laboratori Nazionali del Sud, Istituto Nazionale di Fisica Nucleare, Catania (Italy); Lamia, L. [Dipartimento di Fisica e Astronomia, Università di Catania, Catania (Italy)

2014-05-09

The Trojan Horse method is a powerful indirect technique to determine the astrophysical factor for binary rearrangement processes A+x→b+B at astrophysical energies by measuring the cross section for the Trojan Horse (TH) reaction A+a→B+b+s in quasi free kinematics. The Trojan Horse Method has been successfully applied to many reactions of astrophysical interest, both direct and resonant. In this paper, we will focus on direct sub-processes. The theory of the THM for direct binary reactions will be shortly presented based on a few-body approach that takes into account the off-energy-shell effects and initial and final state interactions. Examples of recent results will be presented to demonstrate how THM works experimentally.

A modified two-level three-phase quasi-soft-switching inverter

DEFF Research Database (Denmark)

Liu, Yusheng; Wu, Weimin; Blaabjerg, Frede

2014-01-01

A traditional Voltage Source Inverter (VSI) has higher efficiency than a Current Voltage Source (CSI) due to the less conduction power loss. However, the reverse recovery of the free-wheeling diode limits the efficiency improvement for the silicon devices based hard-switching VSI. The traditional...... quasi-soft-switching inverter can alternate between VSI and CSI by using a proper control scheme and thereby reduce the power losses caused by the reverse recovery of the free-wheeling diode. Nevertheless, slightly extra conduction power loss of the auxiliary switch is also introduced. In order...... to reduce the extra conduction power loss and the voltage stress across the DC-link capacitor, a modified two-level three-phase quasi-soft-switching inverter is proposed by using a SiC MOSFET instead of an IGBT. The principle of the modified two-level three-phase quasi-soft-switching inverter is analyzed...

Truly quasi-solid-state lithium cells utilizing carbonate free polymer electrolytes on engineered LiFePO_4

International Nuclear Information System (INIS)

Nair, Jijeesh R.; Cíntora-Juárez, Daniel; Pérez-Vicente, Carlos; Tirado, José L.; Ahmad, Shahzada; Gerbaldi, Claudio

2016-01-01

Highlights: • Carbonate free truly quasi-solid-state polymer electrolytes for lithium batteries. • Simple and easy up scalable preparation by solvent free thermal curing. • LiFePO_4 cathode engineered by PEDOT:PSS interphase at the current collector. • Direct polymerization over the engineered electrode surface in one pot. • Stable lithium polymer cells operating in a wide temperature range. - Abstract: Stable and safe functioning of a Li-ion battery is the demand of modern generation. Herein, we are demonstrating the application of an in-situ free radical polymerisation process (thermal curing) to fabricate a polymer electrolyte that possesses mechanical robustness, high thermal stability, improved interfacial and ion transport characteristics along with stable cycling at ambient conditions. The polymer electrolyte is obtained by direct polymerization over the electrode surface in one pot starting from a reactive mixture comprising an ethylene oxide-based dimethacrylic oligomer (BDM), dimethyl polyethylene glycol (DPG) and lithium salt. Furthermore, an engineered cathode is used, comprising a LiFePO_4/PEDOT:PSS interface at the current collector that improves the material utilization at high rates and mitigates the corrosive effects of LiTFSI on aluminium current collector. The lithium cell resulting from the newly elaborated multiphase assembly of the composite cathode with the DPG-based carbonate-free polymer electrolyte film exhibits excellent reversibility upon prolonged cycling at ambient as well as elevated temperatures, which is found to be superior compared to previous reports on uncoated electrodes with polymer electrolytes.

Cut-free LK quasi-polynomially simulates resolution

OpenAIRE

Arai, Noriko

1998-01-01

In this paper, the relative efficiency of two propositional systems is studied: resolution and cut-free LK in DAG. We give an upper bound for translation of resolution refutation to cut-free LK proofs. The best upper bound known was 2.

Application of the Trojan Horse Method to study neutron induced reactions: the 17O(n, α14C reaction

Directory of Open Access Journals (Sweden)

Gulino M.

2014-03-01

Full Text Available The reaction 17O(n, α14C was studied using virtual neutrons coming from the quasi-free deuteron break-up in the three body reaction 17O+d → α+14C+p. This technique, called virtual neutron method, extends the Trojan Horse method to neutron-induced reactions allowing to study the reaction cross section avoiding the suppression effects coming from the penetrability of the centrifugal barrier. For incident neutron energies from thermal up to a few hundred keV, direct experiments have shown the population of two out of three expected excited states at energies 8213 keV and 8282 keV and the influence of the sub-threshold level at 8038 keV. In the present experiment the 18O excited state at E* = 8.125 MeV, missing in the direct measurement, is observed. The angular distributions of the populated resonances have been measured for the first time. The results unambiguously indicate the ability of the method to overcome the centrifugal barrier suppression effect and to pick out the contribution of the bare nuclear interaction.

A new method for quasi-reagent-free biomonitoring of mercury in human urine.

Science.gov (United States)

Schlathauer, Maria; Reitsam, Verena; Schierl, Rudolf; Leopold, Kerstin

2017-05-01

A novel analytical method for sampling and extraction of mercury (Hg) from human urine is presented in this work. The method is based on selective accumulation and separation of Hg from fresh urine sample onto active nanogold-coated silica material by highly efficient solid-phase extraction. After thermal desorption of Hg from the extractant, detection is performed by atomic fluorescence spectrometry (AFS). The feasibility and validity of the optimized, quasi-reagent-free approach was confirmed by recovery experiments in spiked real urine (recovery rate 96.13 ± 5.34%) and by comparison of found Hg concentrations in real urine samples - originating from occupationally exposed persons - with values obtained from reference methods cold vapor - atomic absorption spectrometry (CVAAS) and cold vapor - atomic fluorescence spectrometry (CV-AFS). A very good agreement of the found values reveals the validity of the proposed approach. The limit of detection (LOD) was found to be as low as 0.004 μg Hg L -1 and a high reproducibility with a relative standard deviations ≤4.2% (n = 6) is given. Moreover, storage of the samples for up to one week at an ambient temperature of 30 °C reveals no analyte losses or contamination. In conclusion, the proposed method enables easy-to-handle on-site extraction of total Hg from human urine ensuring at the same time reagent-free sample stabilization, providing quick and safe sampling, which can be performed by untrained persons. Copyright © 2017 Elsevier B.V. All rights reserved.

Coincidence measurements of the (π+,π0p) reaction in the /triangle/-resonance region

International Nuclear Information System (INIS)

Hoeibraten, S.

1989-05-01

This thesis describes an experimental study of the (π + , π 0 p) reaction at incident energy T/sub π/sup +// = 165 MeV. This work is part of the first experiment to detect neutral pions and protons in coincidence in kinematically complete measurements. The reaction was studied on 16 O (using water targets) at several pion angles: θ/sub π/sup 0// = 70/degree/, 80/degree/, 110/degree/, and 130/degree/. At θ/sub π/sup 0// = 110/degree/ measurements were also made on 56 Fe, 120 Sn, and 208 Pb. The neutral pions were detected with the LAMPF π 0 spectrometer, while the protons were detected in a vertical array of plastic-scintillator ΔE-E telescopes, each spanning 8.5 msr. Energy spectra of the differential cross sections d 4 σ/dE/sub π/sup 0// dE/sub p/dΩ/sub π/sup 0//dΩ/sub p/ were obtained for each proton telescope and subsequently integrated over proton and pion energy and proton angle. The characteristics of these spectra are consistent with a quasi-free description of the (π + ,π 0 p) reaction. The angular dependence of dσ/dΩ/sub π/sup 0//(θ/sub π/sup 0//) for 16 O(π + ,π 0 p) was found to be in accordance with that of the cross section for the corresponding free reaction at backward π 0 angles. For the 16 O(π + ,π 0 p) reaction, events in which a p-shell nucleon had been removed were identified. The p-shell events were found to constitute only 40--50% of the total cross section for quasi-free one-nucleon removal. The (π + ,π 0 p) cross section at θ/sub π/sup 0// = 110/degree/ proved to be almost the same for all target nuclei, possibly slightly decreasing as a function of A. 102 refs., 108 figs., 24 tabs

Ergonomic office design and aging: a quasi-experimental field study of employee reactions to an ergonomics intervention program.

Science.gov (United States)

May, Douglas R; Reed, Kendra; Schwoerer, Catherine E; Potter, Paul

2004-04-01

A naturally occurring quasi-experimental longitudinal field study of 87 municipal employees using pretest and posttest measures investigated the effects of an office workstation ergonomics intervention program on employees' perceptions of their workstation characteristics, levels of persistent pain, eyestrain, and workstation satisfaction. The study examined whether reactions differed between younger and older employees. Results revealed that workstation improvements were associated with enhanced perceptions of the workstation's ergonomic qualities, less upper back pain, and greater workstation satisfaction. Among those experiencing an improvement, the perceptions of workstation ergonomic qualities increased more for younger than older employees, supporting the "impressionable years" framework in the psychological literature on aging. Implications for human resources managers are discussed.

Measurement of color transparency by C(p,2p) reactions at large momentum transfer

International Nuclear Information System (INIS)

Carroll, A.S.

1997-12-01

The subject of color transparency, the enhancement of the ability of hadrons to penetrate nuclear matter by kinematic selection, is both interesting and controversial. The description of the collision of hadrons with nucleons inside nuclei, and the connection with initial and final state interactions involve fundamental questions of quantum mechanics, and nuclear and particle physics. Interest in color transparency was greatly increased by AGS Experiment 834 which observed dramatic changes with incident momentum for a variety of nuclei. A new experiment, E850, has studied the (p,2p) quasi-elastic reaction near 90 degree cm for momenta between 5.9 and 9 GeV/c. The quasi-elastic reaction was compared to the elastic reaction on free protons to determine the transparency. With limited statistics, but with better kinematic definition in a new detector, the authors have confirmed the rise in Carbon transparency ratio seen in Expt 834. The Tr(D/H) for deuterium is consistent with no energy dependence. Unlike the free dσ/dt for hydrogen, the dσ/dt from protons in a nucleus is consistent with the exact s -10 scaling. This suggests two components to the pp scattering amplitude; one small and perturbative, the other spatially large and varying, but filtered away by the nuclear matter in the Carbon nucleus. The plan is to complete the repairs of the superconducting solenoid early this fall, reassemble the detector, and collect data starting next spring

Development of a redox-free Mitsunobu reaction exploiting phosphine oxides as precursors to dioxyphosphoranes.

Science.gov (United States)

Tang, Xiaoping; Chapman, Charlotte; Whiting, Matthew; Denton, Ross

2014-07-14

The development of the first redox-free protocol for the Mitsunobu reaction is described. This has been achieved by exploiting triphenylphosphine oxide--the unwanted by-product in the conventional Mitsunobu reaction--as the precursor to the active P(V) coupling reagent. Multinuclear NMR studies are consistent with hydroxyl activation via an alkoxyphosphonium salt.

Quasi-elastic transfer and charge-exchange reactions in collisions of 48Ti on 42Ca and 26Mg

International Nuclear Information System (INIS)

Brendel, C.

1985-01-01

At the GSI magnetic spectrometer quasi-elastic transfer and charge-exchange reactions of the system 48 Ti + 42 Ca at incident energies E lab = 240, 300, and 385 MeV and additionally at the higher projectile energy the system 48 Ti + 26 Mg were studied each in the excitation energy range up to E x ≅ 80 MeV. The transition strength was for each particle-hole configuration of the final system calculated by means of the DWBA and subsequently folded with a Breit-Wigner distribution. The localization of the strength of the cross section and the specific structure of the energy spectra were at incident energies between 6 and 8 MeV/amu for all angles well reproduced. By an extension of the core-excitation model to many-stage reactions the charge-exchange reaction 48 Ti + 42 Ca → 48 Sc + 42 Sc could be described as sequential two-stage process. In the two-neutron stripping reaction 48 Ti + 42 Ca → 46 Ti + 44 Ca a surprisingly narrow line with a width of the experimental resolution and an excitation energy of E x = 17.8 MeV was measured at angles smaller than the grazing angle. In the 48 Ti + 26 Mg system the corresponding 46 Ti spectra show also under forward angles structures at excitation energies between 8 and 16 MeV. These lines can be explained as two-neutron states with high spin. (orig./HSI) [de

Solution phase and membrane immobilized iron-based free radical reactions: Fundamentals and applications for water treatment

Science.gov (United States)

Lewis, Scott Romak

Membrane-based separation processes have been used extensively for drinking water purification, wastewater treatment, and numerous other applications. Reactive membranes synthesized through functionalization of the membrane pores offer enhanced reactivity due to increased surface area at the polymer-solution interface and low diffusion limitations. Oxidative techniques utilizing free radicals have proven effective for both the destruction of toxic organics and non-environmental applications. Most previous work focuses on reactions in the homogeneous phase; however, the immobilization of reactants in membrane pores offers several advantages. The use of polyanions immobilized in a membrane or chelates in solution prevents ferric hydroxide precipitation at near-neutral pH, a common limitation of iron(Fe(II/III))-catalyzed hydrogen peroxide (H 2O2) decomposition. The objectives of this research are to develop a membrane-based platform for the generation of free radicals, degrade toxic organic compounds using this and similar solution-based reactions, degrade toxic organic compounds in droplet form, quantify hydroxyl radical production in these reactions, and develop kinetic models for both processes. In this study, a functionalized membrane containing poly(acrylic acid) (PAA) was used to immobilize iron ions and conduct free radical reactions by permeating H2O2 through the membrane. The membrane's responsive behavior to pH and divalent cations was investigated and modeled. The conversion of Fe(II) to Fe(III) in the membrane and its effect on the decomposition of hydrogen peroxide were monitored and used to develop kinetic models for predicting H2O2 decomposition in these systems. The rate of hydroxyl radical production, and hence contaminant degradation can be varied by changing the residence time, H2O2 concentration, and/or iron loading. Using these membrane-immobilized systems, successful removal of toxic organic compounds, such as pentachlorophenol (PCP), from water

Metal-free bioconjugation reactions.

Science.gov (United States)

van Berkel, Sander S; van Delft, Floris L

2013-01-01

The recent strategy to apply chemical reactions to address fundamental biological questions has led to the emergence of entirely new conjugation reactions that are fast and irreversible, yet so mild and selective that they can be performed even in living cells or organisms. These so-called bioorthogonal reactions open novel avenues, not only in chemical biology research, but also in many other life sciences applications, including the modulation of biopharmaceuticals by site-specific modification approaches.

Quasi-elastic Charm Production In Neutrino-nucleon Scattering

CERN Document Server

Bischofberger, M

2005-01-01

A study of quasi elastic charm production in charged current neutrino-nucleon scattering is presented. A sample of about 1.3 million interactions recorded with the NOMAD detector in the CERN SPS wide band neutrino beam has been searched for quasi elastically produced charmed baryons ( L+c,Sc and S*c ). The search has been performed in two exclusive decay channels of the L+c, both including a L . Also, the semi-inclusive decay channels L+c,Sc,S *c→L+X have been studied. Kinematic selection criteria have been chosen in order to obtain samples enriched with quasi elastic charm events. Signal efficiencies and background expectations have been estimated by Monte Carlo simulations. The observed number of events in each searched channel has been found to agree with the background expectation from charged and neutral current reactions and an upper limit for the cross section has been derived. For the quasi elastic charm production cross section averaged over the neutrino energy spectrum (&lan...

Preparation of carrier-free 67Cu by the 68Zn(γ,p) reaction

International Nuclear Information System (INIS)

Yagi, M.; Kondo, K.

1978-01-01

The preparation of pure, carrier-free 67 Cu using the 68 Zn(γ, p) reaction with an isotopically enriched 68 Zn(98.97%) target is described. The production rates of 67 Cu and contaminants were determined as a function of the maximum bremsstrahlung energies between 30 and 60 MeV. The chemical separation of the carrier-free 67 Cu and the recovery of the 68 Zn target were also studied. (author)

Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

International Nuclear Information System (INIS)

Song, Hongwei; Yang, Minghui; Lu, Yunpeng; Li, Jun; Guo, Hua

2016-01-01

An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD 3 reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional quasi-classical trajectory (QCT) calculations on the same PES. The QD results indicate that both translational energy and the excitation of the CH stretching mode significantly promote the reaction while the excitation of the umbrella mode has a negligible effect on the reactivity. For this early barrier reaction, interestingly, the CH stretching mode is more effective than translational energy in promoting the reaction except at very low collision energies. These QD observations are supported by QCT results. The higher efficacy of the CH stretching model in promoting this early barrier reaction is inconsistent with the prediction of the naively extended Polanyi’s rules, but can be rationalized by the recently proposed sudden vector projection model.

Determination of Free Fatty Acids and Triglycerides by Gas Chromatography Using Selective Esterification Reactions

Energy Technology Data Exchange (ETDEWEB)

Kail, Brian W; Link, Dirk D; Morreale, Bryan D

2012-11-01

A method for selectively determining both free fatty acids (FFA) and triacylglycerides (TAGs) in biological oils was investigated and optimized using gas chromatography after esterification of the target species to their corresponding fatty acid methyl esters (FAMEs). The method used acid catalyzed esterification in methanolic solutions under conditions of varying severity to achieve complete conversion of more reactive FFAs while preserving the concentration of TAGs. Complete conversion of both free acids and glycerides to corresponding FAMEs was found to require more rigorous reaction conditions involving heating to 120°C for up to 2 h. Method validation was provided using gas chromatography–flame ionization detection, gas chromatography–mass spectrometry, and liquid chromatography–mass spectrometry. The method improves on existing methods because it allows the total esterified lipid to be broken down by FAMEs contributed by FFA compared to FAMEs from both FFA and TAGs. Single and mixed-component solutions of pure fatty acids and triglycerides, as well as a sesame oil sample to simulate a complex biological oil, were used to optimize the methodologies. Key parameters that were investigated included: HCl-to-oil ratio, temperature and reaction time. Pure free fatty acids were found to esterify under reasonably mild conditions (10 min at 50°C with a 2.1:1 HCl to fatty acid ratio) with 97.6 ± 2.3% recovery as FAMEs, while triglycerides were largely unaffected under these reaction conditions. The optimized protocol demonstrated that it is possible to use esterification reactions to selectively determine the free acid content, total lipid content, and hence, glyceride content in biological oils. This protocol also allows gas chromatography analysis of FAMEs as a more ideal analyte than glyceride species in their native state.

Spectra of fast protons produced in the pA → pX reaction at the angle of 62 mrad

International Nuclear Information System (INIS)

Barabash, L.Z.; Buklej, A.E.; Gavrilov, V.B.

1982-01-01

Within the framework of a program of investigations into yields of secondary particles form internal targets of an accelerator obtained were experimetnal data on inclusive production of protons in pA interactions at 62 mradn angle at initial momenta of 4.0; 6.6; 9.5 GeV/c. The data obtained on differential cross sections of proton yields are tabulated. A- and t-dependences of quasi-elastic proton scattering with nuclei are discussed. A-dependence of cross sections of inelastic quasi-free reactions both in the region of isobar production and on the left of this region within the errors is the same as for quasi-elastic peak, α approximately 0.45. This α value is markedly less than a value characteristic of the A-dependence of total cross sections

A practical and catalyst-free trifluoroethylation reaction of amines using trifluoroacetic acid

Science.gov (United States)

Andrews, Keith G.; Faizova, Radmila; Denton, Ross M.

2017-06-01

Amines are a fundamentally important class of biologically active compounds and the ability to manipulate their physicochemical properties through the introduction of fluorine is of paramount importance in medicinal chemistry. Current synthesis methods for the construction of fluorinated amines rely on air and moisture sensitive reagents that require special handling or harsh reductants that limit functionality. Here we report practical, catalyst-free, reductive trifluoroethylation reactions of free amines exhibiting remarkable functional group tolerance. The reactions proceed in conventional glassware without rigorous exclusion of either moisture or oxygen, and use trifluoroacetic acid as a stable and inexpensive fluorine source. The new methods provide access to a wide range of medicinally relevant functionalized tertiary β-fluoroalkylamine cores, either through direct trifluoroethylation of secondary amines or via a three-component coupling of primary amines, aldehydes and trifluoroacetic acid. A reduction of in situ-generated silyl ester species is proposed to account for the reductive selectivity observed.

Transfer and breakup reactions at intermediate energies

International Nuclear Information System (INIS)

Stokstad, R.G.

1986-04-01

The origin of the quasi-elastic peak in peripheral heavy-ion reactions is discussed in terms of inelastic scattering and transfer reactions to unbound states of the primary projectile-like fragment. The situation is analogous to the use of reverse kinematics in fusion reactions, a technique in which the object of study is moving with nearly the beam velocity. It appears that several important features of the quasi-elastic peak may be explained by this approach. Projectile-breakup reactions have attractive features for the study of nuclear structure. They may also be used to determine the partition of excitation energy in peripheral reactions. At intermediate energies, neutron-pickup reactions leading to four-body final states become important. Examples of experiments are presented that illustrate these points. 15 refs., 14 figs

Coincidence measurements of the (. pi. /sup +/,. pi. /sup 0/p) reaction in the /triangle/-resonance region

Energy Technology Data Exchange (ETDEWEB)

Hoeibraten, S.

1989-05-01

This thesis describes an experimental study of the (..pi../sup +/, ..pi../sup 0/p) reaction at incident energy T/sub ..pi../sup +// = 165 MeV. This work is part of the first experiment to detect neutral pions and protons in coincidence in kinematically complete measurements. The reaction was studied on /sup 16/O (using water targets) at several pion angles: theta/sub ..pi../sup 0// = 70/degree/, 80/degree/, 110/degree/, and 130/degree/. At theta/sub ..pi../sup 0// = 110/degree/ measurements were also made on /sup 56/Fe, /sup 120/Sn, and /sup 208/Pb. The neutral pions were detected with the LAMPF ..pi../sup 0/ spectrometer, while the protons were detected in a vertical array of plastic-scintillator ..delta..E-E telescopes, each spanning 8.5 msr. Energy spectra of the differential cross sections d/sup 4/sigma/dE/sub ..pi../sup 0// dE/sub p/d..cap omega../sub ..pi../sup 0//d..cap omega../sub p/ were obtained for each proton telescope and subsequently integrated over proton and pion energy and proton angle. The characteristics of these spectra are consistent with a quasi-free description of the (..pi../sup +/,..pi../sup 0/p) reaction. The angular dependence of dsigma/d..cap omega../sub ..pi../sup 0//(theta/sub ..pi../sup 0//) for /sup 16/O(..pi../sup +/,..pi../sup 0/p) was found to be in accordance with that of the cross section for the corresponding free reaction at backward ..pi../sup 0/ angles. For the /sup 16/O(..pi../sup +/,..pi../sup 0/p) reaction, events in which a p-shell nucleon had been removed were identified. The p-shell events were found to constitute only 40--50% of the total cross section for quasi-free one-nucleon removal. The (..pi../sup +/,..pi../sup 0/p) cross section at theta/sub ..pi../sup 0// = 110/degree/ proved to be almost the same for all target nuclei, possibly slightly decreasing as a function of A. 102 refs., 108 figs., 24 tabs.

Nuclear chemical method for preparation of free carbenium ions and radiochemical investigation of reactions of these particles

International Nuclear Information System (INIS)

Nefedov, V.D.; Sinotova, E.N.; Toropova, M.A.

1980-01-01

Tritium nuclear transformation (β-decay) in the composition of the molecules of hydrocarbons, appearance of primary molecular ions and formation of free carbenium ion are the main items of nuclear-chemical method of preparation of free carbenium ions. The method permits to prepare carbenium ions present in free state, i.e. without counterion and without solvate sheath of variou nitial localization of the charge. The rate of carbenium ion generation is strictly definite and does not depend upon outer conditions. The method suggested permits to prepare carbenium ions in all phases, study their reactions with individual substances in gaseous, liquid and solid states. The study of ion-molecular reactions is carried out using radiochemical method. The analysis of the products is made using the method of gaseous radiochromatography. Development of preparation techniques of carbenium ions and their analogues, study of the reactions of these particles with different classes of compounds, investigation of the effect of different factors upon procedure of ion-molecular reactions are the main directions of the investigations

The quasi-free reaction p+d → d+η+p{sub sp} at ANKE

Energy Technology Data Exchange (ETDEWEB)

Schroeer, Daniel; Fritzsch, Christopher; Khoukaz, Alfons; Rump, Marcel [Institut fuer Kernphysik, Westfaelische Wilhelms-Universitaet, Muenster (Germany); Collaboration: ANKE-Collaboration

2016-07-01

The interaction between η mesons and hadrons is an intensively investigated topic. Due to its stength it might lead to the formation of η-mesic nuclei. In order to study the characteristics of this interaction a measurement of the reaction p+d → d+η+p{sub sp} has been performed at the ANKE spectrometer at the COSY accelerator of the Forschungszentrum Juelich. In this context the deuteron serves as an effective neutron target whereas the proton is treated as a spectator particle. The two different beam momenta (p{sub 1} = 2.09 GeV/c and p{sub 2} = 2.25 GeV/c) in combination with the Fermi motion inside the target deuteron grant access to the determination of total and differential cross sections in an excess energy range from threshold up to Q = 90 MeV. While the course of the total cross section, especially near threshold, will allow to compute the scattering length a{sub dη} of an s-wave final state interaction ansatz, the differential cross sections permit to verify the legitimacy of the s-wave assumption. Furthermore the data taken at higher excess energies enable to examine the role of nucleonic resonances in the production process of η mesons. Recent results are presented and discussed.

Mode specificity in the OH + CHD{sub 3} reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface

Energy Technology Data Exchange (ETDEWEB)

Song, Hongwei, E-mail: hwsong@wipm.ac.cn; Yang, Minghui [Key Laboratory of Magnetic Resonance in Biological Systems, National Center for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Lu, Yunpeng [Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Guo, Hua [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

2016-04-28

An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD{sub 3} reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional quasi-classical trajectory (QCT) calculations on the same PES. The QD results indicate that both translational energy and the excitation of the CH stretching mode significantly promote the reaction while the excitation of the umbrella mode has a negligible effect on the reactivity. For this early barrier reaction, interestingly, the CH stretching mode is more effective than translational energy in promoting the reaction except at very low collision energies. These QD observations are supported by QCT results. The higher efficacy of the CH stretching model in promoting this early barrier reaction is inconsistent with the prediction of the naively extended Polanyi’s rules, but can be rationalized by the recently proposed sudden vector projection model.

Knock-out reactions

International Nuclear Information System (INIS)

de Forest, T. Jr.

1977-01-01

It is pointed out that the primary motivation for performing high energy single nucleon knock-out reactions is based on the concept of quasi-elastic scattering. The validity of and corrections to the partial wave impulse approximation and kinematical invariance of knock-out reactions and tests of the reaction mechanism are treated. The effect of distortions on the momentum distribution in the effective momentum approximation for given parameters are plotted. 12 references

Identification of reaction products from reactions of free chlorine with the lipid-regulator gemfibrozil.

Science.gov (United States)

Krkošek, Wendy H; Koziar, Stephen A; White, Robert L; Gagnon, Graham A

2011-01-01

High global consumption rates have led to the occurrence of pharmaceutically active compounds (PhACs) in wastewater. The use of chlorine to disinfect wastewater prior to release into the environment may convert PhACs into uncharacterized chlorinated by-products. In this investigation, chlorination of a common pharmaceutical, the antihyperlipidemic agent gemfibrozil, was documented. Gemfibrozil (2,2-dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid) was reacted with sodium hypochlorite and product formation was monitored by gas chromatography-mass spectrometry (GC-MS). The incorporation of one, two or three chlorine atoms into the aromatic region of gemfibrozil was demonstrated using negative-ion electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (ESI-MS/MS). Further analysis using (1)H nuclear magnetic resonance (NMR) spectroscopy identified the reaction products as 4'-ClGem (5-(4-chloro-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid) 4',6'-diClGem (5-(4,6-dichloro-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid), and 3',4',6'-triClGem (5-(3,4,6-trichloro-2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid), products consistent with electrophilic aromatic substitution reactions. The rapid reaction of gemfibrozil with free chlorine at pH conditions relevant to water treatment indicates that a mixture of chlorinated gemfibrozils is likely to be found in wastewater disinfected with chlorine. Copyright © 2010 Elsevier Ltd. All rights reserved.

Study of fusion reactions forming Cf nuclei

International Nuclear Information System (INIS)

Khuyagbaatar, J.; Hinde, D. J.; Du Rietz, R.; Carter, I. P.; Dasgupta, M.; Duellmann, C. E.; Evers, M.; Wakhle, A.; Williams, E.; Yakushev, A.

2013-01-01

The formation of a compound nucleus in different projectile and target combinations is a powerful method for investigating the fusion process. Recently, the dominance of quasi-fission over fusion-fission has been inferred for 34 S+ 208 Pb in comparison to 36 S+ 206 Pb; both reactions lead to the compound nucleus 242 Cf*.The mass and angle distributions of the fission fragments from these reactions were studied in order to further investigate the presence of quasi-fission. (authors)

Probing the pomeron structure with quasi-real photons

International Nuclear Information System (INIS)

Arteaga-Romero, N.; Kessler, P.

1986-03-01

Following a recent suggestion of Ingelman and Schlein, we here consider the possibility of probing the gluonic structure of the pomeron with quasi-real photons, i.e. in reactions e p → e p + 2 jets + X taking place at an ep collider such as HERA

Scattering of polarized electrons from polarized targets: Coincidence reactions and prescriptions for polarized half-off-shell single-nucleon cross sections

International Nuclear Information System (INIS)

Caballero, J.A.; Massachusetts Inst. of Tech., Cambridge, MA; Donnelly, T.W.; Massachusetts Inst. of Tech., Cambridge, MA; Poulis, G.I.; Massachusetts Inst. of Tech., Cambridge, MA

1993-01-01

Coincidence reactions of the type vector A( vector e, e'N)B involving the scattering of polarized electrons from polarized targets are discussed within the context of the plane-wave impulse approximation. Prescriptions are developed for polarized half-off single-nucleon cross sections; the different prescriptions are compared for typical quasi-free kinematics. Illustrative results are presented for coincidence polarized electron scattering from typical polarized nuclei. (orig.)

Radiative nucleon capture with quasi-separable potentials

International Nuclear Information System (INIS)

Shubhchintak; Bertulani, C A; Mukhamedzhanov, A M; Kruppa, A T

2016-01-01

We study radiative capture reactions using quasi-separable potentials. This procedure allows an easier treatment of non-local effects that can be extended to three-body problems. Using this technique, we calculate the neutron and proton radiative capture cross sections on 12 C. The results obtained are shown to be in good agreement with the available experimental data. (paper)

Neutron emission as a probe of fusion-fission and quasi-fission dynamics

International Nuclear Information System (INIS)

Hinde, D.J.

1991-01-01

Pre- and post scission neutron yeilds have been measured as a function of projectile mass, compound nucleus fissility, and fission mass-split and total kinetic energy (TKE) for 27 fusion-fission and quasi-fission reactions induced by beams of 16,18 O, 40 Ar and 64 Ni. A new method of interpretation of experimental pre-scission neutron multiplicities ν-pre and mean kinetic energies ε ν allows the extraction of fission time scales with much less uncertainty than previously, all fusion-fission results being consistent with a dynamical time scale of (35±15) x 10 -21 s for symmetric fission. All reactions show that ν-pre falls quite rapidly with increasing mass-asymmetry; evidence is presented that for fusion-fission reactions this is partly due to a reduction of the dynamical fission time scale with mass-asymmetry. For quasi-fission, the data indicate that the pre-scission multiplicity and mean neutron kinetic energy are very sensitive to the final mass-asymmetry, but that the time scale is virtually independent of mass-asymmetry. It is concluded that for fusion-fission there is no dependence of ν-pre on TKE, whilst for 64 Ni-induced quasi-fission reactions, a strong increase of ν-pre with decreasing TKE is observed, probably largely caused by neutron emission during the acceleration time of the fission fragments in these fast reactions. Interpretation of post-scission multiplicities in terms of fragment excitation energies leads to deduced time scales consistent with those determined from the pre-scission data. 54 refs., 17 tabs., 25 figs

Helicity dependence of the γd→ πNN reactions in the Δ-resonance region

International Nuclear Information System (INIS)

Ahrens, J.; Arends, H.J.; Beck, R.; Heid, E.; Jahn, O.; Lang, M.; Martinez-Fabregate, M.; Schwamb, M.; Tamas, G.; Thomas, A.; Altieri, S.; Panzeri, A.; Pinelli, T.; Annand, J.R.M.; McGeorge, J.C.; Protopopescu, D.; Rosner, G.; Blackston, M.A.; Weller, H.R.; Bradtke, C.; Dutz, H.; Klein, F.; Rohlof, C.; Braghieri, A.; Pedroni, P.; Hose, N. d'; Fix, A.; Kondratiev, R.; Lisin, V.; Meyer, W.; Reicherz, G.; Rostomyan, T.; Ryckbosch, D.

2010-01-01

The helicity dependence of the differential cross-section for the γd→πNN reactions has been measured for the first time in the Δ -resonance region. The measurement was performed with the large-acceptance detector DAPHNE at the tagged photon beam facility of the MAMI accelerator in Mainz. The data show that the main reaction mechanisms for the π ± NN channels are the quasi-free N π processes on one bound nucleon with nuclear dynamics playing a minor role. On the contrary, for the π 0 np channel nuclear mechanisms involving the reabsorption of the photoproduced π 0 by the np pair have to be taken into account to reproduce the experimental data. (orig.)

Exclusive measurements of Δ excitation by the (3He,t) reaction

International Nuclear Information System (INIS)

Hennino, Th.

1993-12-01

The production of Δ in nuclei through charge exchange reactions induced by medium energy light projectiles has been undertaken at Laboratoire National Saturne. The possible existence of a pionic collective mode built on Δ-hole correlations has been proposed to explain medium effects which appeared in inclusive experiments. Using the Diogene 4π apparatus to detect the charged particles, the decay pattern of the Δ-hole states has been separated into its different modes. 3 of them deserve particular attention: the quasi free Δ production, the two nucleon absorption channel and the coherent mode. (author). 17 refs., 10 figs

Trojan Horse particle invariance for 2H(d,p)3H reaction: a detailed study

International Nuclear Information System (INIS)

Pizzone, R.G.; La Cognata, M.; Rinollo, A.; Spitaleri, C; Sparta, R.; Bertulani, C.A.; Mukhamedzhanov, A.M.; Blokhintsev, L.; Lamia, L.; Tumino, A.

2014-01-01

The basic idea of the Trojan Horse Method (THM) is to extract the cross section in the low-energy region of a two-body reaction with significant astrophysical impact: a + x → c + C from a suitable quasi-free (QF) break-up of the so called Trojan Horse nucleus, e.g. A=x (+) s where usually x is referred to as the participant and s as the spectator particle. In the last decades the Trojan Horse method has played a crucial role for the measurement of several charged particle induced reactions cross sections of astrophysical interest. To better understand its cornerstones and its applications to physical cases many tests were performed to verify all its properties and the possible future perspectives. The Trojan Horse nucleus invariance for the binary d(d,p)t reaction was therefore tested using the quasi free 2 H( 6 Li, pt) 4 He and 2 H( 3 He,pt)H reactions after 6 Li and 3 He break-up, respectively. The astrophysical S(E)-factor for the d(d,p)t binary process was then extracted in the framework of the Plane Wave Approximation applied to the two different break-up schemes. Polynomial fits were then performed on the data giving S 0 = (75 ± 21) keV*b in the case of the 6 Li break-up, while for 3 He one obtains S 0 = (58 ± 2) keV*b. The obtained results are compared with direct data as well as with previous indirect investigations. The very good agreement confirms the applicability of the plane wave approximation and suggests the independence of binary indirect cross section on the chosen Trojan Horse nucleus also for the present case

Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal-Water Interfaces.

Science.gov (United States)

Faheem, Muhammad; Heyden, Andreas

2014-08-12

We report the development of a quantum mechanics/molecular mechanics free energy perturbation (QM/MM-FEP) method for modeling chemical reactions at metal-water interfaces. This novel solvation scheme combines planewave density function theory (DFT), periodic electrostatic embedded cluster method (PEECM) calculations using Gaussian-type orbitals, and classical molecular dynamics (MD) simulations to obtain a free energy description of a complex metal-water system. We derive a potential of mean force (PMF) of the reaction system within the QM/MM framework. A fixed-size, finite ensemble of MM conformations is used to permit precise evaluation of the PMF of QM coordinates and its gradient defined within this ensemble. Local conformations of adsorbed reaction moieties are optimized using sequential MD-sampling and QM-optimization steps. An approximate reaction coordinate is constructed using a number of interpolated states and the free energy difference between adjacent states is calculated using the QM/MM-FEP method. By avoiding on-the-fly QM calculations and by circumventing the challenges associated with statistical averaging during MD sampling, a computational speedup of multiple orders of magnitude is realized. The method is systematically validated against the results of ab initio QM calculations and demonstrated for C-C cleavage in double-dehydrogenated ethylene glycol on a Pt (111) model surface.

Pressure effects on electron reactions and mobility in nonpolar liquids

International Nuclear Information System (INIS)

Holroyd, R.A.; Nishikawa, Masaru

2002-01-01

High pressure studies have elucidated the mechanisms of both electron reactions and electron transport in nonpolar liquids and provided information about the partial molar volumes of ions and electrons. The very large volume changes associated with electron attachment reactions have been explained as due to electrostriction by the ions, calculated with a continuum model, but modified to include the formation of a glassy shell of solvent molecules around the ion. The mobilities of electrons in cases where the electron is trapped can now be understood by comparing the trap cavity volume with the volume of electrostriction of the solvent around the cavity. In cases where the electron is quasi-free the compressibility dependent potential fluctuations are shown to be important. The isothermal compressibility is concluded to be the single most important parameter determining the behavior of excess electrons in liquids

Boosting the Recoverable Energy Density of Lead-Free Ferroelectric Ceramic Thick Films through Artificially Induced Quasi-Relaxor Behavior.

Science.gov (United States)

Peddigari, Mahesh; Palneedi, Haribabu; Hwang, Geon-Tae; Lim, Kyung Won; Kim, Ga-Yeon; Jeong, Dae-Yong; Ryu, Jungho

2018-06-08

Dielectric ceramic film capacitors, which store energy in the form of electric polarization, are promising for miniature pulsed power electronic device applications. For a superior energy storage performance of the capacitors, large recoverable energy density, along with high efficiency, high power density, fast charge/discharge rate, and good thermal/fatigue stability, is desired. Herein, we present highly dense lead-free 0.942[Na 0.535 K 0.480 NbO 3 ]-0.058LiNbO 3 (KNNLN) ferroelectric ceramic thick films (∼5 μm) demonstrating remarkable energy storage performance. The nanocrystalline KNNLN thick film fabricated by aerosol deposition (AD) process and annealed at 600 °C displayed a quasi-relaxor ferroelectric behavior, which is in contrast to the typical ferroelectric nature of the KNNLN ceramic in its bulk form. The AD film exhibited a large recoverable energy density of 23.4 J/cm 3 , with an efficiency of over 70% under the electric field of 1400 kV/cm. Besides, an ultrahigh power density of 38.8 MW/cm 3 together with a fast discharge speed of 0.45 μs, good fatigue endurance (up to 10 6 cycles), and thermal stability in a wide temperature range of 20-160 °C was also observed. Using the AD process, we could make a highly dense microstructure of the film containing nano-sized grains, which gave rise to the quasi-relaxor ferroelectric characteristics and the remarkable energy storage properties.

Systematics of quasi-elastic processes induced by heavy ions

International Nuclear Information System (INIS)

Baltz, A.J.

1976-01-01

An attempt is made to delineate the areas in the systematics of quasi-elastic processes induced by heavy ions that are well described theoretically from the specific features that seem not to be understood. One- and two-particle transfer reactions are considered. A general systematic seen in transfer angular distribution data and theory, some successes and failures of the DWBA and coupled-channels theories in describing heavy-ion-reaction data, and the specific example 232 Th( 40 Ar,K) and implications for deep inelastic reactions with even heavier projectiles such as Kr and Xe are considered

Comprehensive Theoretical Studies on the Reaction of 1-Bromo-3,3,3-trifluoropropene with OH Free Radicals

Directory of Open Access Journals (Sweden)

Yan Tian

2013-07-01

Full Text Available The potential energy surfaces (PES for the reaction of 1-bromo-3,3,3-trifluoropropene (CF3CHCBrH with hydroxyl (OH free radicals is probed theoretically at the CCSD/aug-cc-pVDZ//B3LYP/6-311++G(d,p level of theory. All the possible stationary and first-order saddle points along the reaction paths were verified by the vibrational analysis. The calculations account for all the product channels. Based on the calculated CCSD/aug-cc-pVDZ potential energy surface, the possible reaction mechanism is discussed. Six distinct reaction pathways of 1-bromo-3,3,3-trifluoropropene (BTP with OH are investigated. The geometries, reaction enthalpies and energy barriers are determined. Canonical transition-state theory with Wigner tunneling correction was used to predict the rate constants for the temperature range of 290–3,000 K without any artificial adjustment, and the computed rate constants for elementary channels can be accurately fitted with three-parameter Arrhenius expressions. OH addition reaction channel and the H atom abstraction channels related to the carbon-carbon double bond are found to be the main reaction channels for the reaction of 1-bromo-3,3,3-trifluoropropene (CF3CHCBrH with hydroxyl (OH free radicals while the products leading to CF3CHCH + BrOH and COHF2CHCBrH + F play a negligible role.

Helicity dependence of the {gamma}d{yields} {pi}NN reactions in the {delta}-resonance region

Energy Technology Data Exchange (ETDEWEB)

Ahrens, J.; Arends, H.J.; Beck, R.; Heid, E.; Jahn, O.; Lang, M.; Martinez-Fabregate, M.; Schwamb, M.; Tamas, G.; Thomas, A. [Universitaet Mainz, Institut fuer Kernphysik, Mainz (Germany); Altieri, S.; Panzeri, A.; Pinelli, T. [INFN, Pavia (Italy); Universita di Pavia, Dipartimento di Fisica Nucleare e Teorica, Pavia (Italy); Annand, J.R.M.; McGeorge, J.C.; Protopopescu, D.; Rosner, G. [University of Glasgow, Department of Physics and Astronomy, Glasgow (United Kingdom); Blackston, M.A.; Weller, H.R. [Duke University, Department of Physics, Durham, NC (United States); Bradtke, C.; Dutz, H.; Klein, F.; Rohlof, C. [Universitaet Bonn, Physikalisches Institut, Bonn (Germany); Braghieri, A.; Pedroni, P. [INFN, Sezione di Pavia, Pavia (Italy); Hose, N. d' [DSM/DAPNIA/SPhN, CEA Saclay, Gif-sur-Yvette Cedex (France); Fix, A. [Tomsk Polytechnic University, Laboratory of Mathematical Physics, Tomsk (Russian Federation); Kondratiev, R.; Lisin, V. [Academy of Science, INR, Moscow (Russian Federation); Meyer, W.; Reicherz, G. [Ruhr-Universitaet Bochum, Insitut fuer Experimentalphysik, Bochum (Germany); Rostomyan, T. [Universiteit Gent, Subatomaire en Stralingsfysica, Gent (Belgium); INFN, Pavia (Italy); Ryckbosch, D. [Universiteit Gent, Subatomaire en Stralingsfysica, Gent (Belgium)

2010-05-15

The helicity dependence of the differential cross-section for the {gamma}d{yields}{pi}NN reactions has been measured for the first time in the {delta} -resonance region. The measurement was performed with the large-acceptance detector DAPHNE at the tagged photon beam facility of the MAMI accelerator in Mainz. The data show that the main reaction mechanisms for the {pi}{sup {+-}} NN channels are the quasi-free N {pi} processes on one bound nucleon with nuclear dynamics playing a minor role. On the contrary, for the {pi}{sup 0}np channel nuclear mechanisms involving the reabsorption of the photoproduced {pi}{sup 0} by the np pair have to be taken into account to reproduce the experimental data. (orig.)

Direct nuclear reaction experiments for stellar nucleosynthesis

International Nuclear Information System (INIS)

Cherubini, S.

2016-01-01

During the last two decades indirect methods where proposed and used in many experiments in order to measure nuclear cross sections between charged particles at stellar energies. These are among the lowest to be measured in nuclear physics. One of these methods, the Trojan Horse method, is based on the Quasi- Free reaction mechanism and has proved to be particularly flexible and reliable. It allowed for the measurement of the cross sections of various reactions of astrophysical interest using stable beams. The use and reliability of indirect methods become even more important when reactions induced by Radioactive Ion Beams are considered, given the much lower intensity generally available for these beams. The first Trojan Horse measurement of a process involving the use of a Radioactive Ion Beam dealt with the "1"8F(p,α)"1"5O process in Nova conditions. To obtain pieces of information on this process, in particular about its cross section at Nova energies, the Trojan Horse method was applied to the "1"8F(d,α "1"5O)n three body reaction. In order to establish the reliability of the Trojan Horse method approach, the Treiman-Yang criterion is an important test and it will be addressed briefly in this paper.

Excitation and characterization of image potential state electrons on quasi-free-standing graphene

Science.gov (United States)

Lin, Yi; Li, Yunzhe; Sadowski, Jerzy T.; Jin, Wencan; Dadap, Jerry I.; Hybertsen, Mark S.; Osgood, Richard M.

2018-04-01

We investigate the band structure of image potential states in quasi-free-standing graphene (QFG) monolayer islands using angle-resolved two-photon-photoemission spectroscopy. Direct probing by low-energy electron diffraction shows that QFG is formed following oxygen intercalation into the graphene-Ir(111) interface. Despite the apparent decoupling of the monolayer graphene from the Ir substrate, we find that the binding energy of the n =1 image potential state on these QFG islands increases by 0.17 eV, as compared to the original Gr/Ir(111) interface. We use calculations based on density-functional theory to construct an empirical, one-dimensional potential that quantitatively reproduces the image potential state binding energy and links the changes in the interface structure to the shift in energy. Specifically, two factors contribute comparably to this energy shift: a deeper potential well arising from the presence of intercalated oxygen adatoms and a wider potential well associated with the increase in the graphene-Ir distance. While image potential states have not been observed previously on QFG by photoemission, our paper now demonstrates that they may be strongly excited in a well-defined QFG system produced by oxygen intercalation. This opens an opportunity for studying the surface electron dynamics in QFG systems, beyond those found in typical nonintercalated graphene-on-substrate systems.

One step synthesis of chlorine-free Pt/Nitrogen-doped graphene composite for oxygen reduction reaction

KAUST Repository

Varga, Tamá s; Varga, Á gnes Tí mea; Ballai, Gergő; Haspel, Henrik; Kukovecz, Á kos; Kó nya, Z.

2018-01-01

Chlorine-free Platinum/nitrogen-doped graphene oxygen reduction reaction catalysts were synthesized by a one step method of annealing a mixture of platinum acetylacetonate and graphene oxide under ammonia atmosphere. Nanoparticles with close

Rate constants for the reactions of free radicals with oxygen in solution

International Nuclear Information System (INIS)

Maillard, B.; Ingold, K.U.; Scaiano, J.C.

1983-01-01

The kinetics of the rections of several free radicals with oxygen have been examined in solution at 300 K using laser flash photolysis techniques. The reactions of resonance-stabilized radicals are only slightly slower than those of nonstabilized radicals: for example, for tert-butyl (in cyclohexane), 4.93 x 10 9 ; benzyl, 2.36 x 10 9 (in cyclohexane); cyclohexadienyl (in benzene), 1.64 x 10 9 M -1 s -1 . The reaction of butyl-tin (n-Bu 3 Sn.) radicals is unusually fast (7.5 x 10 9 M -1 s -1 ), a fact that has been tentatively attributed to a relaxation of spin selection rules due to heavy atom effects. 1 table

Free radical reactions of isoxazole and pyrazole derivatives of hispolon: kinetics correlated with molecular descriptors.

Science.gov (United States)

Shaikh, Shaukat Ali M; Barik, Atanu; Singh, Beena G; Modukuri, Ramani V; Balaji, Neduri V; Subbaraju, Gottumukkala V; Naik, Devidas B; Priyadarsini, K Indira

2016-12-01

Hispolon (HS), a natural polyphenol found in medicinal mushrooms, and its isoxazole (HI) and pyrazole (HP) derivatives have been examined for free radical reactions and in vitro antioxidant activity. Reaction of these compounds with one-electron oxidant, azide radicals ([Formula: see text]) and trichloromethyl peroxyl radicals ([Formula: see text]), model peroxyl radicals, studied by nanosecond pulse radiolysis technique, indicated formation of phenoxyl radicals absorbing at 420 nm with half life of few hundred microseconds (μs). The formation of phenoxyl radicals confirmed that the phenolic OH is the active centre for free radical reactions. Rate constant for the reaction of these radicals with these compounds were in the order k HI ≅ k HP  >   k HS . Further the compounds were examined for their ability to inhibit lipid peroxidation in model membranes and also for the scavenging of 2,2'-diphenyl-1-picrylhydrazyl (DPPH) radical and superoxide ([Formula: see text]) radicals. The results suggested that HP and HI are less efficient than HS towards these radical reactions. Quantum chemical calculations were performed on these compounds to understand the mechanism of reaction with different radicals. Lower values of adiabatic ionization potential (AIP) and elevated highest occupied molecular orbital (HOMO) for HI and HP compared with HS controlled their activity towards [Formula: see text] and [Formula: see text] radicals, whereas the contribution of overall anion concentration was responsible for higher activity of HS for DPPH, [Formula: see text], and lipid peroxyl radical. The results confirm the role of different structural moieties on the antioxidant activity of hispolon derivatives.

Quasi-classical trajectory approach to the O(1D)+HBr→OH+Br reaction stereo-dynamics on X1A' potential energy surface

International Nuclear Information System (INIS)

Li Hong; Zheng Bin; Yin Ji-Qing; Meng Qing-Tian

2011-01-01

The vector properties of reaction O( 1 D)+HBr→OH+Br on the potential energy surface (PES) of X 1 A' ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor 2 (j' · k)>, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy—light—heavy (HLH) type mass combination and the deep well of PES. (atomic and molecular physics)

2 keV filters of quasi-mono-energetic neutrons

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; El-Mesiry, M.S.; Bashter, I.I.; Saleh, A.; Fathallah, M.

2013-01-01

A simulation study for the production of 2 keV filters of quasi-mono-energetic neutrons based on the deep interference minima in the 45 Sc total cross-section was carried out. A computer code QMENF-II was adapted to calculate the optimum amounts of the 45 Sc as a main filter element and additional component ones to obtain sufficient intensity at high resolution and purity of the filtered quasi-mono-energetic neutrons. The emitted neutron spectrum from nuclear reactor and from the reaction of 2.6 MeV protons on a lithium fluoride target at the accelerator beam port, are used for simulation

Experiments on iron shield transmission of quasi-monoenergetic neutrons generated by 43- and 68-MeV protons via the 7Li(p,n) reaction

International Nuclear Information System (INIS)

Nakashima, Hiroshi; Tanaka, Shun-ichi; Nakao, Noriaki

1996-03-01

In order to provide benchmark data of neutrons transmitted through iron shields in the intermediate-energy region, spatial distributions of neutron energy spectra and reaction rates behind and inside the iron shields of thickness up to 130 cm were measured for 43- and 68-MeVp- 7 Li neutrons using a quasi-monoenergetic neutron beam source at the 90-MV AVF cyclotron facility of the TLARA facility in JAERI. The measured data by five kinds of detectors: the BC501A detector, the Bonner ball counter, 238 U and 232 Th fission counters, 7 LiF and nat LiF TLDs and solid state nuclear track detector, are numerically provided in this report in the energy region between 10 -4 eV and the energy of peak neutrons generated by the 7 Li(p,n) reaction. (author)

Mechanism of the quasi-zero axial acoustic radiation force experienced by elastic and viscoelastic spheres in the field of a quasi-Gaussian beam and particle tweezing.

Science.gov (United States)

Mitri, F G; Fellah, Z E A

2014-01-01

The present analysis investigates the (axial) acoustic radiation force induced by a quasi-Gaussian beam centered on an elastic and a viscoelastic (polymer-type) sphere in a nonviscous fluid. The quasi-Gaussian beam is an exact solution of the source free Helmholtz wave equation and is characterized by an arbitrary waist w₀ and a diffraction convergence length known as the Rayleigh range z(R). Examples are found where the radiation force unexpectedly approaches closely to zero at some of the elastic sphere's resonance frequencies for kw₀≤1 (where this range is of particular interest in describing strongly focused or divergent beams), which may produce particle immobilization along the axial direction. Moreover, the (quasi)vanishing behavior of the radiation force is found to be correlated with conditions giving extinction of the backscattering by the quasi-Gaussian beam. Furthermore, the mechanism for the quasi-zero force is studied theoretically by analyzing the contributions of the kinetic, potential and momentum flux energy densities and their density functions. It is found that all the components vanish simultaneously at the selected ka values for the nulls. However, for a viscoelastic sphere, acoustic absorption degrades the quasi-zero radiation force. Copyright © 2013 Elsevier B.V. All rights reserved.

Chlorination and oxidation of sulfonamides by free chlorine: Identification and behaviour of reaction products by UPLC-MS/MS.

Science.gov (United States)

Gaffney, Vanessa de Jesus; Cardoso, Vitor Vale; Benoliel, Maria João; Almeida, Cristina M M

2016-01-15

Sulfonamides (SAs) are one class of the most widely used antibiotics around the world and have been frequently detected in municipal wastewater and surface water in recent years. Their transformation in waste water treatment plants (WWTP) and in water treatment plants (WTP), as well as, their fate and transport in the aquatic environment are of concern. The reaction of six sulfonamides (sulfamethoxazole, sulfapyridine, sulfamethazine, sulfamerazine, sulfathiazole and sulfadiazine) with free chlorine was investigated at a laboratory scale in order to identify the main chlorination by-products. A previously validated method, liquid chromatography/mass spectrometry, was used to analyse SAs and their chlorination by-products. At room temperature, pH 6-7, reaction times of up to 2 h and an initial concentration of 2 mg/L of free chlorine, the majority of SAs suffered degradation of around 65%, with the exception of sulfamethoxazole and sulfathiazole (20%). The main reaction of SAs with free chlorine occurred in the first minute. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nuclear photofissility in the quasi-deuteron energy region

International Nuclear Information System (INIS)

Paiva, E. de; Tavares, O.A.P.; Terranova, M.L.

2001-04-01

A two hundred experimental photofissility data obtained in the quasi-deuteron region (∼ 30 - 140 MeV) of photonuclear absorption covering the target nuclei 27 Al, n at Ti, 51 V, 154 Sm, 174 Yb, n at T Hf, 181 Ta, n a t W, nat Re, nat Os, n a t Pt, 197 Au, na t Tl, 208 Pb, nat Pb and 209 Bi have been analysed in the framework of the current, two-step model for intermediate-energy photofission reactions. The incoming photon is assumed to be absorber by a neutron-proton pair (Levinger's quasi-deuteron model), followed by a mechanism of evaporation-fission competition for the excited residual nuclei. The experimental features of photofissility have been reproduced successfully by the model. (author)

Nafion®-catalyzed microwave-assisted Ritter reaction: An atom-economic solvent-free synthesis of amides

Science.gov (United States)

An atom-economic solvent-free synthesis of amides by the Ritter reaction of alcohols and nitriles under microwave irradiation is reported. This green protocol is catalyzed by solid supported Nafion®NR50 with improved efficiency and reduced waste production.

Self-Reported Prevalence of Symptomatic Adverse Reactions to Gluten and Adherence to Gluten-Free Diet in an Adult Mexican Population.

Science.gov (United States)

Ontiveros, Noe; López-Gallardo, Jesús A; Vergara-Jiménez, Marcela J; Cabrera-Chávez, Francisco

2015-07-21

The prevalence of symptomatic adverse reactions to gluten and adherence to gluten-free diet in Latin American countries is unknown. These measurements are strongly linked to gluten-related disorders. This work aimed to estimate the prevalence of adverse reactions to oral gluten and the adherence to gluten-free diet in the adult Mexican population. To reach this aim, a self-administered questionnaire was designed and tested for clarity/comprehension and reproducibility. Then, a self-administered questionnaire-based cross-sectional study was conducted in the Mexican population. The estimated prevalence rates were (95% CI): 11.9% (9.9-13.5) and 7.8 (6.4-9.4) for adverse and recurrent adverse reactions to gluten respectively; adherence to gluten-free diet 3.7% (2.7-4.8), wheat allergy 0.72% (0.38-1.37); celiac disease 0.08% (0.01-0.45), and NCGS 0.97% (0.55-1.68). Estimated pooled prevalence of self-reported physician-diagnosis of gluten-related disorders was 0.88% (0.49-1.5), and 93.3% respondents reported adherence to gluten-free diet without a physician-diagnosis of gluten-related disorders. Symptom comparisons between those who reported recurrent adverse reactions to gluten and other foods showed statistically significant differences for bloating, constipation, and tiredness (p Gluten-related disorders may be underdiagnosed in the Mexican population and most people adhering to a gluten-free diet are doing it without proper diagnostic work-up of these disorders, and probably without medical/dietician advice.

Gamma rays as probe of fission and quasi-fission dynamics in the reaction 32S + 197Au near the Coulomb barrier

Science.gov (United States)

Pulcini, A.; Vardaci, E.; Kozulin, E.; Ashaduzzaman, M.; Borcea, C.; Bracco, A.; Brambilla, S.; Calinescu, S.; Camera, F.; Ciemala, M.; de Canditiis, B.; Dorvaux, O.; Harca, I. M.; Itkis, I.; Kirakosyan, V. V.; Knyazheva, G.; Kozulina, N.; Kolesov, I. V.; La Rana, G.; Maj, A.; Matea, I.; Novikov, K.; Petrone, C.; Quero, D.; Rath, P.; Saveleva, E.; Schmitt, C.; Sposito, G.; Stezowski, O.; Trzaska, W. H.; Wilson, J.

2018-05-01

Compound nucleus fission and quasi-fission are both binary decay channels whose common properties make the experimental separation between them difficult. A way to achieve this separation could be to probe the angular momentum of the binary fragments. This can be done detecting gamma rays in coincidence with the two fragments. As a case study, the reaction 32S + 197Au near the Coulomb barrier has been performed at the Tandem ALTO facility at IPN ORSAY. ORGAM and PARIS, two different gamma detectors arrays, are coupled with the CORSET detector, a two-arm time-of-flight spectrometer. TOF-TOF data were analyzed to reconstruct the mass-energy distribution of the primary fragments coupled with gamma multiplicity and spectroscopic analysis. Preliminary results of will be shown.

Free Energy Landscape of the Dissolution of Gibbsite at High pH

Energy Technology Data Exchange (ETDEWEB)

Shen, Zhizhang; Kerisit, Sebastien N.; Stack, Andrew G.; Rosso, Kevin M.

2018-03-26

The individual elementary reactions involved in the dissolution of a solid into solution remain mostly speculative due to a lack of suitable, direct experimental probes. In this regard, we have applied atomistic simulations to map the free energy landscape of the dissolution of gibbsite from a step edge, as a model of metal hydroxide dissolution. The overall reaction combines kink site formation and kink site propagation. Two individual reactions were found to be rate-limiting for kink site formation, that is, the displacement of Al from a step site to a ledge adatom site and its detachment from ledge/terrace adatom sites into the solution. As a result, a pool of mobile and labile Al adsorbed species, or adatoms, exists before the release of Al into solution. Because of the quasi-hexagonal symmetry of gibbsite, kink site propagation can occur in multiple directions. Overall, the simulation results will enable the development of microscopic mechanistic models of metal oxide dissolution.

Optimization of reaction parameters for enzymatic glyceride synthesis from fish oil: Ethyl esters versus free fatty acids

DEFF Research Database (Denmark)

Ravn, Helle Christine; Damstrup, Marianne L.; Meyer, Anne S.

2012-01-01

Enzymatic conversion of fish oil free fatty acids (FFA) or fatty acid ethyl esters (FAE) into glycerides via esterification or transesterification was examined. The reactions catalyzed by Lipozyme™ 435, a Candida antarctica lipase, were optimized. Influence on conversion yields of fatty acid chain...... length, saturation degree, temperature, enzyme dosage, molar ratio glycerol:fatty acids, acyl source composition (w/w ratio FFA:FAE), and reaction time was evaluated collectively by multiple linear regression. All reaction variables influenced the conversion into glycerides. Transesterification of FAE...

Quasi-atoms

International Nuclear Information System (INIS)

Armbruster, P.

1976-01-01

The concept of a quasi-atom is discussed, and several experiments are described in which molecular or quasi-atomic transitions have been observed. X-ray spectra are shown for these experiments in which heavy ion projectiles were incident on various targets and the resultant combined system behaved as a quasi-atom. This rapidly developing field has already given new insight into atomic collision phenomena. (P.J.S.)

Wide angular range study of the reaction /sup 16/O( pi /sup -/, 2n) /sup 14/N with stopped pions

CERN Document Server

Bassalleck, B; Furic, M; Klotz, W D; Lewis, C W; Takeutchi, F; Ullrich, H

1980-01-01

A first kinematically complete investigation of the reaction /sup 16/O ( pi /sup -/, 2n)/sup 14/N with stopped pions has been performed at the CERN SC over a wide angular range. Measured distributions in excitation energy of the residual nucleus, recoil momentum, and angle between the two neutrons are presented. They are compared with theoretical predictions on two-hole states and with detailed calculations on the quasi-free two-nucleon absorption process. (34 refs).

The Nanoconfined Free Radical Polymerization: Reaction Kinetics and Thermodynamics

Science.gov (United States)

Zhao, Haoyu; Simon, Sindee

The reaction kinetics and thermodynamics of nanoconfined free radical polymerizations are investigated for methyl methacrylate (MMA) and ethyl methacrylate (EMA) monomers using differential scanning calorimetry. Controlled pore glass is used as the confinement medium with pore diameters as small as 7.5 nm; the influence of both hydrophobic (silanized such that trimethylsilyl groups cover the surface) and hydrophilic (native silanol) surfaces is investigated. Propagation rates increase when monomers are reacted in the hydrophilic pores presumably due to the specific interactions between the carbonyl and silanol groups; however, the more flexible EMA monomer shows weaker effects. On the other hand, initial rates of polymerization in hydrophobic pores are unchanged from the bulk. In both pores, the onset of autoacceleration occurs earlier due to the reduced diffusivity of confined chains, which may be compensated at high temperatures. In addition to changes in kinetics, the reaction thermodynamics can be affected under nanoconfinement. Specifically, the ceiling temperature (Tc) is shifted to lower temperatures in nanopores, with pore surface chemistry showing no significant effects; the equilibrium conversion is also reduced at high temperatures below Tc. These observations are attributed to a larger negative change in entropy on propagation for the confined system, with the MMA system again showing greater effects. Funding from ACS PRF is gratefully acknowledged.

Scavenging of free-radical metabolites of aniline xenobiotics and drugs by amino acid derivatives: toxicological implications of radical-transfer reactions.

Science.gov (United States)

Michail, Karim; Baghdasarian, Argishti; Narwaley, Malyaj; Aljuhani, Naif; Siraki, Arno G

2013-12-16

We investigated a novel scavenging mechanism of arylamine free radicals by poly- and monoaminocarboxylates. Free radicals of arylamine xenobiotics and drugs did not react with oxygen in peroxidase-catalyzed reactions; however, they showed marked oxygen uptake in the presence of an aminocarboxylate. These free-radical intermediates were identified using the spin trap 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) and electron paramagnetic resonance (EPR) spectrometry. Diethylenetriaminepentaacetic acid (DTPA), a polyaminocarboxylate, caused a concentration-dependent attenuation of N-centered radicals produced by the peroxidative metabolism of arylamines with the subsequent formation of secondary aliphatic carbon-centered radicals stemming from the cosubstrate molecule. Analogously, N,N-dimethylglycine (DMG) and N-methyliminodiacetate (MIDA), but not iminodiacetic acid (IDA), demonstrated a similar scavenging effect of arylamine-derived free radicals in a horseradish peroxidase/H2O2 system. Using human promyelocytic leukemia (HL-60) cell lysate as a model of human neutrophils, DTPA, MIDA, and DMG readily reduced anilinium cation radicals derived from the arylamines and gave rise to the corresponding carbon radicals. The rate of peroxidase-triggered polymerization of aniline was studied as a measure of nitrogen-radical scavenging. Although, IDA had no effect on the rate of aniline polymerization, this was almost nullified in the presence of DTPA and MIDA at half of the molar concentration of the aniline substrate, whereas a 20 molar excess of DMPO caused only a partial inhibition. Furthermore, the yield of formaldehyde, a specific reaction endproduct of the oxidation of aminocarboxylates by aniline free-radical metabolites, was quantitatively determined. Azobenzene, a specific reaction product of peroxidase-catalyzed free-radical dimerization of aniline, was fully abrogated in the presence of DTPA, as confirmed by GC/MS. Under aerobic conditions, a radical-transfer reaction

The kinetics of free radical metathetical and addition reactions in silane solutions

International Nuclear Information System (INIS)

Aloni, R.

1976-12-01

In this work radiolytic technique was employed for the initiation of free radical chainreactions in silane solution. The kinetic analysis of the chain mechanism in various solutions enabled the determination of the Arrhenius parameters for metathesis, addition and unimolecular decomposition reactions which make up the chainpropagation sequence in the systems studied. The following radical reactions were investigated: chlorine atom abstraction from chloromethanes by SiCl 3 and Et 3 Si radicals, and chlorine atom abstraction from chloroethanes by Et 3 Si radicals; unimolecular decomposition reactions and hydrogen atom abstraction, *from the solvent, of chloroethyl radicals in triethylsilane solutions; addition and abstraction reactions of Et 3 Si radicals with chloroolefins. Arrhenius parameters were determined for abstraction of chlorine atom from CH 3 Cl, CH 2 Cl 2 , CHCl 3 and CCl 4 , by SiCl 3 radicals and from CCl 4 , CHCl 3 , CH 2 Cl 2 , CCl 3 CN, C 2 Cl 5 H, sym-C 2 Cl 4 H 2 , asym-C 2 Cl 4 H 2 , 1.1.1-C 2 Cl 3 H 3 , 1.1.1-C 2 Dl 3 F 3 and 1.1-C 2 Cl 2 H 4 by Et 3 Si radicals. (author)

Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction.

Science.gov (United States)

Monge-Palacios, M; Corchado, J C; Espinosa-Garcia, J

2012-05-28

A detailed state-to-state dynamics study was performed to analyze the effects of vibrational excitation and translational energy on the dynamics of the Cl((2)P) + NH(3)(v) gas-phase reaction, effects which are connected to such issues as mode selectivity and Polanyi's rules. This reaction evolves along two deep wells in the entry and exit channels. At low and high collision energies quasi-classical trajectory calculations were performed on an analytical potential energy surface previously developed by our group, together with a simplified model surface in which the reactant well is removed to analyze the influence of this well. While at high energy the independent vibrational excitation of all NH(3)(v) modes increases the reactivity by a factor ≈1.1-2.9 with respect to the vibrational ground-state, at low energy the opposite behaviour is found (factor ≈ 0.4-0.9). However, when the simplified model surface is used at low energy the independent vibrational excitation of all NH(3)(v) modes increases the reactivity, showing that the behaviour at low energies is a direct consequence of the existence of the reactant well. Moreover, we find that this reaction exhibits negligible mode selectivity, first because the independent excitation of the N-H symmetric and asymmetric stretch modes, which lie within 200 cm(-1) of each other, leads to reactions with similar reaction probabilities, and second because the vibrational excitation of the reactive N-H stretch mode is only partially retained in the products. For this "late transition-state" reaction, we also find that vibrational energy is more effective in driving the reaction than an equivalent amount of energy in translation, consistent with an extension of Polanyi's rules. Finally, we find that the non-reactive events, Cl((2)P)+NH(3)(v) → Cl((2)P) + NH(3)(v'), lead to a great number of populated vibrational states in the NH(3)(v') product, even starting from the NH(3)(v = 0) vibrational ground state at low energies

Coherent optical nonlinearities and phase relaxation of quasi-three-dimensional and quasi-two-dimensional excitons in ZnSxSe1 - x/ZnSe structures

DEFF Research Database (Denmark)

Wagner, Hans Peter; Schätz, A.; Maier, R.

1997-01-01

We investigate the dephasing of heavy-hole excitons in different free-standing ZnSxSe1-x/ZnSe layer structures by spectrally resolved transient four-wave mixing. ZnSe layers of 80, 8, and 4 nm thickness with ternary barriers are studied, representing the crossover from quasi-three-dimensional to ...

Self-Reported Prevalence of Symptomatic Adverse Reactions to Gluten and Adherence to Gluten-Free Diet in an Adult Mexican Population

Directory of Open Access Journals (Sweden)

Noe Ontiveros

2015-07-01

Full Text Available The prevalence of symptomatic adverse reactions to gluten and adherence to gluten-free diet in Latin American countries is unknown. These measurements are strongly linked to gluten-related disorders. This work aimed to estimate the prevalence of adverse reactions to oral gluten and the adherence to gluten-free diet in the adult Mexican population. To reach this aim, a self-administered questionnaire was designed and tested for clarity/comprehension and reproducibility. Then, a self-administered questionnaire-based cross-sectional study was conducted in the Mexican population. The estimated prevalence rates were (95% CI: 11.9% (9.9–13.5 and 7.8 (6.4–9.4 for adverse and recurrent adverse reactions to gluten respectively; adherence to gluten-free diet 3.7% (2.7–4.8, wheat allergy 0.72% (0.38–1.37; celiac disease 0.08% (0.01–0.45, and NCGS 0.97% (0.55–1.68. Estimated pooled prevalence of self-reported physician-diagnosis of gluten-related disorders was 0.88% (0.49–1.5, and 93.3% respondents reported adherence to gluten-free diet without a physician-diagnosis of gluten-related disorders. Symptom comparisons between those who reported recurrent adverse reactions to gluten and other foods showed statistically significant differences for bloating, constipation, and tiredness (p < 0.05. Gluten-related disorders may be underdiagnosed in the Mexican population and most people adhering to a gluten-free diet are doing it without proper diagnostic work-up of these disorders, and probably without medical/dietician advice.

Encaging palladium(0 in layered double hydroxide: A sustainable catalyst for solvent-free and ligand-free Heck reaction in a ball mill

Directory of Open Access Journals (Sweden)

Wei Shi

2017-08-01

Full Text Available In this paper, the synthesis of a cheap, reusable and ligand-free Pd catalyst supported on MgAl layered double hydroxides (Pd/MgAl-LDHs by co-precipitation and reduction methods is described. The catalyst was used in Heck reactions under high-speed ball milling (HSBM conditions at room temperature. The effects of milling-ball size, milling-ball filling degree, reaction time, rotation speed and grinding auxiliary category, which would influence the yields of mechanochemical Heck reactions, were investigated in detail. The characterization results of XRD, ICP–MS and XPS suggest that Pd/MgAl-LDHs have excellent textural properties with zero-valence Pd on its layers. The reaction results indicate that the catalyst could be utilized in HSBM systems to afford a wide range of Heck coupling products in satisfactory yields. Furthermore, this catalyst could be easily recovered and reused for at least five times without significant loss of catalytic activity.

An idea for the future proton detection of (p,2p) reactions with the R3B set-up at FAIR

International Nuclear Information System (INIS)

Ribeiro, G; Perea, A; Mårtensson, M

2015-01-01

The R 3 B Collaboration has a long experience in probing exotic nuclei via quasi-free scattering reactions. To continue these studies a new array capable of detecting protons and gamma rays of high energy is currently being developed, the CALIFA (R 3 B CALorimeterfor In Flight γ arrays and high energy charged pArticles). This contribution reports on the current solution for the forward Endcap of the CALIFA detector and on the latest test results. (paper)

Facile Synthesis of Quasi-One-Dimensional Au/PtAu Heterojunction Nanotubes and Their Application as Catalysts in an Oxygen-Reduction Reaction.

Science.gov (United States)

Cai, Kai; Liu, Jiawei; Zhang, Huan; Huang, Zhao; Lu, Zhicheng; Foda, Mohamed F; Li, Tingting; Han, Heyou

2015-05-11

An intermediate-template-directed method has been developed for the synthesis of quasi-one-dimensional Au/PtAu heterojunction nanotubes by the heterogeneous nucleation and growth of Au on Te/Pt core-shell nanostructures in aqueous solution. The synthesized porous Au/PtAu bimetallic nanotubes (PABNTs) consist of porous tubular framework and attached Au nanoparticles (AuNPs). The reaction intermediates played an important role in the preparation, which fabricated the framework and provided a localized reducing agent for the reduction of the Au and Pt precursors. The Pt7 Au PABNTs showed higher electrocatalytic activity and durability in the oxygen-reduction reaction (ORR) in 0.1 M HClO4 than porous Pt nanotubes (PtNTs) and commercially available Pt/C. The mass activity of PABNTs was 218 % that of commercial Pt/C after an accelerated durability test. This study demonstrates the potential of PABNTs as highly efficient electrocatalysts. In addition, this method provides a facile strategy for the synthesis of desirable hetero-nanostructures with controlled size and shape by utilizing an intermediate template. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Waveform control for magnetic testers using a quasi-Newton method

International Nuclear Information System (INIS)

Yamamoto, Ken-ichi; Hanba, Shigeru

2008-01-01

A nonlinear iterative learning algorithm is proposed to make a voltage waveform in the secondary coil sinusoidal in this paper. The algorithm employs a globally convergent Jacobian-free quasi-Newton type solver that has a BFGS-like structure. This method functions well, and it is demonstrated using typical soft magnetic materials

Criterion for selection of quasi-equilibrium and quasi-frozen flows of chemically reacting mixture N2O4 reversible 2NO2reversible 2NO+O2 with heat isobaric supply (removal)

International Nuclear Information System (INIS)

Kostik, G.Eh.; Shiryaeva, N.M.

1979-01-01

Is suggested the criterion of quasi-equilibrium and quasi-frozen flows with isobaric heat supply (removal), including the basic external factors, which affect on the kinetics of chemical process. This criterion is the complex [g/Fq], where g is the coolant rate, F is the channel cross-section, q is the heat flow. Estimated formulae for quasi-equilibrium [g/Fq]sub(e) and quasi-frozen [g/Fq]sub(f) flows are obtained. The states of deviation from equilibrium and frozen conditions in linear region are considered, are listed graphical dependences lg[g/Fq]sub(e), lg[g/Fq]sub(el), lg[g/Fq]sub(f), lg[g/Eq]sub(fl), as functions of equilibrium parameter Tsub(e), pressure and frozen coordinate of epsilonsub(2f) reaction. This graphs give the possibility to estimate rapidly and obviously the flow character of chemically reacting coolant

Spallation reactions - physics and applications

International Nuclear Information System (INIS)

Kelic, A.; Ricciardi, M.; Schmidt, K-H.

2009-01-01

Spallation reactions have become an ideal tool for studying the equation of state and thermal instabilities of nuclear matter. In astrophysics, the interactions of cosmic rays with the interstellar medium have to be understood in detail for deducing their original composition and their production mechanisms. Renewed interest in spallation reactions with protons around 1 GeV came up recently with the developments of spallation neutron sources. The project of an accelerator-driven system (ADS) as a technological solution for incinerating the radioactive waste even intensified the efforts for better understanding the physics involved in the spallation process. Experiments on spallation reactions were performed for determining the production cross sections and properties of particles, fragments and heavy residues. Traditional experiments on heavy residues, performed in direct kinematics, were limited to the direct observation of long-lived radioactive nuclides and did not provide detailed information on the kinematics of the reaction. Therefore, an innovative experimental method has been developed, based on inverse kinematics, which allowed to identify all reaction residues in-flight, using the high resolution magnetic spectrometer FRS of GSL Darmstadt. It also gives direct access to the reaction kinematics. An experimental campaign has been carried out in a Europe-wide collaboration, investigating the spallation of several nuclei ranging from 56 Fe to 238 U Complementary experiments were performed with a full-acceptance detection system, yielding total fission cross sections. Recently, another detection system using the large acceptance ALADIN dipole and the LAND neutron detector was introduced to measure light particles in coincidence with the heavy residues. Another intense activity was dedicated to developing codes, which cover nuclear reactions occurring in an ADS. The first phase of the reaction is successfully described by a sequence of quasi-free nucleon

Experiments on iron shield transmission of quasi-monoenergetic neutrons generated by 43- and 68-MeV protons via the {sup 7}Li(p,n) reaction

Energy Technology Data Exchange (ETDEWEB)

Nakashima, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Tanaka, Shun-ichi; Nakao, Noriaki [and others

1996-03-01

In order to provide benchmark data of neutrons transmitted through iron shields in the intermediate-energy region, spatial distributions of neutron energy spectra and reaction rates behind and inside the iron shields of thickness up to 130 cm were measured for 43- and 68-MeVp-{sup 7}Li neutrons using a quasi-monoenergetic neutron beam source at the 90-MV AVF cyclotron facility of the TLARA facility in JAERI. The measured data by five kinds of detectors: the BC501A detector, the Bonner ball counter, {sup 238}U and {sup 232}Th fission counters, {sup 7}LiF and {sup nat}LiF TLDs and solid state nuclear track detector, are numerically provided in this report in the energy region between 10{sup -4} eV and the energy of peak neutrons generated by the {sup 7}Li(p,n) reaction. (author).

Quasi-bound alpha resonant states populated by the 12C(6Li, d) reaction

International Nuclear Information System (INIS)

Rodrigues, M.R.D.; Borello-Lewin, T.; Miyake, H.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A.; Cunsolo, A.; Cappuzzello, F.; Foti, A.; Agodi, C.; Cavallaro, M.; Ukita, G.M.

2012-01-01

Full text: The alpha cluster phenomenon in the light nuclei structure has been the subject of a long time investigation since the proposal of the Ikeda diagrams [1]. The main purpose of the research program in progress is the investigation of this phenomenon in (xα) and (xα+n) nuclei through the ( 6 Li, d) alpha transfer reaction [2-4]. Alpha resonant states around the (4α) threshold in the nucleus 16 O are the focus of the present contribution. In fact, the importance of these resonances at the elements production in stars is recognized, as primarily pointed out by Hoyle in 12 C [6]. The existence of a rotational band with the α + 12 C (Hoyle) cluster state structure was recently demonstrated by Ohkubo and Hirabayashi [6]. In order to explore this region of interest, measurements of the 12 C( 6 Li, d) 16 O reaction up to 17 MeV of excitation at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique (plates Fuji G6B, 50 μm thick). Spectra associated with six scattering angles, from 5 deg to 29 deg in the laboratory frame, each one 50 cm along the focal surface, were measured. Several narrow resonances with a quasi-bound behavior embedded in the continuum were detected and the resolution of 25 keV allowed for the separation of doublets not resolved before [7,8]. The absolute cross sections and the respective deuteron angular distributions were determined and the analysis is in progress. [1] K. Ikeda et al., Prog. Theor. Phys. Suppl. E 68, 464 (1968); H. Horiuchi, K. Ikeda, and Y. Suzuki, ibid. 44, 225 (1978). [2] M.R.D.Rodrigues et al., in12th International Conference on Nuclear Reaction Mechanism, Varenna, Italy, edited by F. Cerutti and A. Ferrari , CERN Proceedings, 2010-2, pp. 331- 335. [3] T. Borello-Lewin et al., Proceedings of SOTANCP2, Brussels, Belgium 2010, edited by P. Descouvemount et al., Int. J. Mod. Mod. Phys E 20, 1018-1021 (2011). [4] T. Borello

Free and Protein-Bound Maillard Reaction Products in Beer: Method Development and a Survey of Different Beer Types.

Science.gov (United States)

Hellwig, Michael; Witte, Sophia; Henle, Thomas

2016-09-28

The Maillard reaction is important for beer color and flavor, but little is known about the occurrence of individual glycated amino acids in beer. Therefore, seven Maillard reaction products (MRPs), namely, fructosyllysine, maltulosyllysine, pyrraline, formyline, maltosine, MG-H1, and argpyrimidine, were synthesized and quantitated in different types of beer (Pilsner, dark, bock, wheat, and nonalcoholic beers) by HPLC-ESI-MS/MS in the multiple reaction monitoring mode through application of the standard addition method. Free MRPs were analyzed directly. A high molecular weight fraction was isolated by dialysis and hydrolyzed enzymatically prior to analysis. Maltulosyllysine was quantitated for the first time in food. The most important free MRPs in beer are fructosyllysine (6.8-27.0 mg/L) and maltulosyllysine (3.7-21.8 mg/L). Beer contains comparatively high amounts of late-stage free MRPs such as pyrraline (0.2-1.6 mg/L) and MG-H1 (0.3-2.5 mg/L). Minor amounts of formyline (4-230 μg/L), maltosine (6-56 μg/L), and argpyrimidine (0.1-4.1 μg/L) were quantitated. Maltulosyllysine was the most significant protein-bound MRP, but both maltulosyllysine and fructosyllysine represent only 15-60% of the total protein-bound lysine-derived Amadori products. Differences in the patterns of protein-bound and free individual MRPs and the ratios between them were identified, which indicate differences in their chemical, biochemical, and microbiological stabilities during the brewing process.

Generation of 300 MeV Quasi-Monochromatic Electron Beams from Laser Wakefield and Initiation of Photonuclear Reactions

Science.gov (United States)

Maksimchuk, A.; Beene, J. R.

2005-10-01

In the interaction of 30 fs, 40 TW Ti:sapphire Hercules laser at the University of Michigan, which is focused to the intensity of 10^19 W/cm^2 onto a supersonic He gas jet with electron density close to the resonant density, we observed quasi-monoenergetic electron beams with energy up to 300 MeV and angular divergence of about 10 mrad. The results on characterization of relativistic electron beam in terms of energy spread, its charge, divergence and pointing stability will be presented. 2D PIC simulations performed for the parameters close to the experimental conditions show the evolution of the laser pulse in plasma, electron injection, and the specifics of electron acceleration observed in experiments. Resulted relativistic electron beams have been used to perform gamma-neutron activation of ^12C and ^63Cu and photo-fission of ^238U. We demonstrated that approximately 10^6 reaction per shot has been produced in each case. This work was supported by the NSF through the Physics Frontier Center FOCUS. JRB, DRS, DWS, and CRV acknowledge support by the DOE under contract DE-AC05-00OR22725 with UT-Battelle, LLC.

A new method to synthesize sulfur-doped graphene as effective metal-free electrocatalyst for oxygen reduction reaction

Energy Technology Data Exchange (ETDEWEB)

Zhai, Chunyang; Sun, Mingjuan [School of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211 (China); Zhu, Mingshan, E-mail: mingshanzhu@yahoo.com [School of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211 (China); Song, Shaoqing [School of Chemistry, Biology and Materials Science, East China Institute of Technology, Nanchang 330013 (China); Jiang, Shujuan, E-mail: sjjiang@ecit.edu.cn [School of Chemistry, Biology and Materials Science, East China Institute of Technology, Nanchang 330013 (China)

2017-06-15

Highlights: • S doped graphene was facile synthesized by one-pot solvothermal method. • DMSO acted as S source as well as reaction solvent. • S-RGO worked as an efficient metal-free electrocatalyst for ORR. • S-RGO acted as a promising candidate instead of Pt-based catalyst. - Abstract: The exploration of a metal-free catalyst with highly efficient yet low-cost for the oxygen-reduction reaction (ORR) is under wide spread investigation. In this paper, by using dimethyl sulfoxide (DMSO) as S source as well as solvent, we report a new, low-cost, and facile solvothermal route to synthesize S-doped reduced graphene oxide (S-RGO). The existence of S element in the framework of RGO was solidly confirmed by energy-dispersive X-ray (EDX) and X-ray photoelectron spectroscopy (XPS). The as-synthesized S-RGO can be worked as an efficient metal-free electrocatalyst for ORR. Moreover, compared to commercial Pt/C electrocatalyst, the S-RGO displays superior resistance to crossover effect and stability by evaluating the addition of methanol and CO poisoning experiment. This result not only shows S-RGO as a promising candidate instead of Pt-based catalyst for ORR, but also provides a new approach for the preparation of metal-free electrocatalyst in future.

Fusion dynamics in 40Ca induced reactions

International Nuclear Information System (INIS)

Prasad, E.; Hinde, D.J.; Williams, E.

2017-01-01

Synthesis of superheavy elements (SHEs) and investigation of their properties are among the most challenging research topics in modern science. A non-compound nuclear process called quasi fission is partly responsible for the very low production cross sections of SHEs. The formation and survival probabilities of the compound nucleus (CN) strongly depend on the competition between fusion and quasi fission. A clear understanding of these processes and their dynamics is required to make reliable predictions of the best reactions to synthesise new SHEs. All elements beyond Nh are produced using hot fusion reactions and beams of 48 Ca were used in most of these experiments. In this context a series of fission measurements have been carried out at the Australian National University (ANU) using 40;48 Ca beams on various targets ranging from 142 Nd to 249 Cf. Some of the 40 Ca reactions will be discussed in this symposium

Progress in microscopic direct reaction modeling of nucleon induced reactions

Energy Technology Data Exchange (ETDEWEB)

Dupuis, M.; Bauge, E.; Hilaire, S.; Lechaftois, F.; Peru, S.; Pillet, N.; Robin, C. [CEA, DAM, DIF, Arpajon (France)

2015-12-15

A microscopic nuclear reaction model is applied to neutron elastic and direct inelastic scatterings, and pre-equilibrium reaction. The JLM folding model is used with nuclear structure information calculated within the quasi-particle random phase approximation implemented with the Gogny D1S interaction. The folding model for direct inelastic scattering is extended to include rearrangement corrections stemming from both isoscalar and isovector density variations occurring during a transition. The quality of the predicted (n,n), (n,n{sup '}), (n,xn) and (n,n{sup '}γ) cross sections, as well as the generality of the present microscopic approach, shows that it is a powerful tool that can help improving nuclear reactions data quality. Short- and long-term perspectives are drawn to extend the present approach to more systems, to include missing reactions mechanisms, and to consistently treat both structure and reaction problems. (orig.)

Totem and taboo in the grocery store: quasi-religious foodways in North America

Directory of Open Access Journals (Sweden)

Benjamin E. Zeller

2015-01-01

Full Text Available This article focuses on food proscriptions such as veganism and gluten-free eating, and prescriptions such as the Paleolithic diet, focusing on the North American context. These quasi-religious foodways serve as means for individuals to engage in discourses of community, personal and group identity, and boundary-marking. Through the daily practice of eating, those who follow quasi-religious foodways mark their identities, literally consuming who they are. These quasi-religious foodways therefore function to allow contemporary consumer-oriented individualistic Americans to engage in discourses of community, identity, and meaning in a highly vernacular manner, that of the marketplace. They also point to the manner in which identity and community have expanded well outside of religious categories.

Quasi-elastic reactions: an interplay of reaction dynamics and nuclear structure

Directory of Open Access Journals (Sweden)

Recchia F.

2011-10-01

Full Text Available Multinucleon transfer reactions have been investigated in 40Ar+208Pb with the Prisma+Clara set-up. The experimental differential cross sections of different neutron transfer channels have been obtained at three different angular settings taking into account the transmission through the spectrometer. The experimental yields of the excited states have been determined via particle-γ coincidences. In odd Ar isotopes, we reported a signif cant population of 11/2− states, reached via neutron transfer. Their structure matches a stretched conf guration of the valence neutron coupled to vibration quanta.

Automated selected reaction monitoring software for accurate label-free protein quantification.

Science.gov (United States)

Teleman, Johan; Karlsson, Christofer; Waldemarson, Sofia; Hansson, Karin; James, Peter; Malmström, Johan; Levander, Fredrik

2012-07-06

Selected reaction monitoring (SRM) is a mass spectrometry method with documented ability to quantify proteins accurately and reproducibly using labeled reference peptides. However, the use of labeled reference peptides becomes impractical if large numbers of peptides are targeted and when high flexibility is desired when selecting peptides. We have developed a label-free quantitative SRM workflow that relies on a new automated algorithm, Anubis, for accurate peak detection. Anubis efficiently removes interfering signals from contaminating peptides to estimate the true signal of the targeted peptides. We evaluated the algorithm on a published multisite data set and achieved results in line with manual data analysis. In complex peptide mixtures from whole proteome digests of Streptococcus pyogenes we achieved a technical variability across the entire proteome abundance range of 6.5-19.2%, which was considerably below the total variation across biological samples. Our results show that the label-free SRM workflow with automated data analysis is feasible for large-scale biological studies, opening up new possibilities for quantitative proteomics and systems biology.

Super and hyper-deformed states, and reactions to populate them

International Nuclear Information System (INIS)

Cseh, J.; Darai, J.; Algora, A.; Antonenko, N.; Adamian, G.

2011-01-01

We study the possible binary cluster configurations of the superdeformed and hyper-deformed states of some N=Z nuclei. We have determined the shape isomers from the quasi-dynamical U(3) symmetry obtained from Nilsson calculations. In searching for the possible binary clusterization of the shape isomers we have taken into account both natural laws which govern the building up of a nucleus from smaller constituents. The exclusion principle was taken into account by applying a selection rule (in combination with Harvey's prescription), based on the microscopic configuration associated to the quasi-dynamical U(3) symmetry. In this way the Pauli-principle is incorporated only in an approximate way. The clusters were considered to have a deformation, like the corresponding free nuclei (spherical, prolate, oblate or triaxial), and no constraints were applied for their relative orientation. The methods we applied here seem to be applicable in heavier nuclei, too. Symmetry considerations can be helpful in studying both the shape isomers of nuclei, and their clusterization. These investigations contribute to the structural understanding of the shape isomers, and indicate some reaction channels to populate them

Generalized bi-quasi-variational inequalities for quasi-semi-monotone and bi-quasi-semi-monotone operators with applications in non-compact settings and minimization problems

Directory of Open Access Journals (Sweden)

Chowdhury Molhammad SR

2000-01-01

Full Text Available Results are obtained on existence theorems of generalized bi-quasi-variational inequalities for quasi-semi-monotone and bi-quasi-semi-monotone operators in both compact and non-compact settings. We shall use the concept of escaping sequences introduced by Border (Fixed Point Theorem with Applications to Economics and Game Theory, Cambridge University Press, Cambridge, 1985 to obtain results in non-compact settings. Existence theorems on non-compact generalized bi-complementarity problems for quasi-semi-monotone and bi-quasi-semi-monotone operators are also obtained. Moreover, as applications of some results of this paper on generalized bi-quasi-variational inequalities, we shall obtain existence of solutions for some kind of minimization problems with quasi- semi-monotone and bi-quasi-semi-monotone operators.

On A Quasi-local Mass

OpenAIRE

Zhang, Xiao

2009-01-01

We modify previous quasi-local mass definition. The new definition provides expressions of the quasi-local energy, the quasi-local linear momentum and the quasi-local mass. And they are equal to the ADM expressions at spatial infinity. Moreover, the new quasi-local energy has the positivity property.

Neutron to proton ratios of quasiprojectile and midrapidity emission in the 58Ni+58Ni reaction at 52 MeV/nucleon

International Nuclear Information System (INIS)

Theriault, D.; Vallee, A.; Gingras, L.; Larochelle, Y.; Roy, R.; April, A.; Beaulieu, L.; Grenier, F.; Lemieux, F.; Moisan, J.; St-Pierre, C.; Turbide, S.; Samri, M.; Borderie, B.; Rivet, M. F.; Bougault, R.; Colin, J.; Cussol, D.; Durand, D.; Lecolley, J.F.

2005-01-01

By combining data from a charged particle 58 Ni+ 58 Ni experiment at 52 MeV/nucleon with an 36 Ar+ 58 Ni experiment at 50 MeV/nucleon for which free neutrons have been detected, an increase in the neutron to proton ratio of the whole nuclear material at midrapidity has been experimentally observed in the reaction 58 Ni+ 58 Ni at 52 MeV/nucleon. The neutron-to-proton ratio of the quasi-projectile emission is analyzed for the same reactions and is seen to decrease below the ratio of the initial system. Those observations suggest that an asymmetric exchange of neutrons and protons between the quasiprojectile and the midrapidity region exists

Shell effects in fission and quasi-fission of heavy and superheavy nuclei

Energy Technology Data Exchange (ETDEWEB)

Itkis, M.G. E-mail: itkis@flnr.jinr.ru; Aeystoe, J.; Beghini, S.; Bogachev, A.A.; Corradi, L.; Dorvaux, O.; Gadea, A.; Giardina, G.; Hanappe, F.; Itkis, I.M.; Jandel, M.; Kliman, J.; Khlebnikov, S.V.; Kniajeva, G.N.; Kondratiev, N.A.; Kozulin, E.M.; Krupa, L.; Latina, A.; Materna, T.; Montagnoli, G.; Oganessian, Yu.Ts.; Pokrovsky, I.V.; Prokhorova, E.V.; Rowley, N.; Rubchenya, V.A.; Rusanov, A.Ya.; Sagaidak, R.N.; Scarlassara, F.; Stefanini, A.M.; Stuttge, L.; Szilner, S.; Trotta, M.; Trzaska, W.H.; Vakhtin, D.N.; Vinodkumar, A.M.; Voskressenski, V.M.; Zagrebaev, V.I

2004-04-05

Results of the experiments aimed at the study of fission and quasi-fission processes in the reactions {sup 12}C+{sup 204}Pb, {sup 48}Ca+{sup 144,154}Sm, {sup 168}Er, {sup 208}Pb, {sup 244}Pu, {sup 248}Cm; {sup 58}Fe+{sup 208}Pb, {sup 244}Pu, {sup 248}Cm, and {sup 64}Ni+{sup 186}W, {sup 242}Pu are presented in the work. The choice of the above-mentioned reactions was inspired by recent experiments on the production of the isotopes {sup 283}112, {sup 289}114 and {sup 283}116 at Dubna [1],[2] using the same reactions. The {sup 58}Fe and {sup 64}Ni projectiles were chosen since the corresponding projectile-target combinations lead to the synthesis of even heavier elements. The experiments were carried out at the U-400 accelerator of the Flerov Laboratory of Nuclear Reactions (JINR, Russia), the XTU Tandem accelerator of the National Laboratory of Legnaro (LNL, Italy) and the Accelerator of the Laboratory of University of Jyvaskyla (JYFL, Finland) using the time-of-flight spectrometer of fission fragments CORSET[3] and the neutron multi-detector DEMON[4],[5]. The role of shell effects and the influence of the entrance channel on the mechanism of the compound nucleus fusion-fission and the competitive process of quasi-fission are discussed.

Monolithic quasi-sliding-mode controller for SIDO buck converter with a self-adaptive free-wheeling current level

Science.gov (United States)

Xiaobo, Wu; Qing, Liu; Menglian, Zhao; Mingyang, Chen

2013-01-01

An analog implementation of a novel fixed-frequency quasi-sliding-mode controller for single-inductor dual-output (SIDO) buck converter in pseudo-continuous conduction mode (PCCM) with a self-adaptive freewheeling current level (SFCL) is presented. Both small and large signal variations around the operation point are considered to achieve better transient response so as to reduce the cross-regulation of this SIDO buck converter. Moreover, an internal integral loop is added to suppress the steady-state regulation error introduced by conventional PWM-based sliding mode controllers. Instead of keeping it as a constant value, the free-wheeling current level varies according to the load condition to maintain high power efficiency and less cross-regulation at the same time. To verify the feasibility of the proposed controller, an SIDO buck converter with two regulated output voltages, 1.8 V and 3.3 V, is designed and fabricated in HEJIAN 0.35 μm CMOS process. Simulation and experiment results show that the transient time of this SIDO buck converter drops to 10 μs while the cross-regulation is reduced to 0.057 mV/mA, when its first load changes from 50 to 100 mA.

Extracting integrated and differential cross sections in low energy heavy-ion reactions from backscattering measurements

Energy Technology Data Exchange (ETDEWEB)

Sargsyan, V. V. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Yerevan State University, 0025 Yerevan (Armenia); Adamian, G. G., E-mail: adamian@theor.jinr.ru [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Antonenko, N. V. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Mathematical Physics Department, Tomsk Polytechnic University, 634050 Tomsk (Russian Federation); Diaz-Torres, A. [European Centre for Theoretical Studies in Nuclear Physics and Related Areas, I-38123 Villazzano, Trento (Italy); Gomes, P. R. S. [de Fisica, Universidade Federal Fluminense, Av. Litorânea, s/n, Niterói, R.J. 24210-340 (Brazil); Lenske, H. [Institut für Theoretische Physik der Justus–Liebig–Universität, D–35392 Giessen (Germany)

2016-07-07

We suggest new methods to extract elastic (quasi-elastic) scattering angular distribution and reaction (capture) cross sections from the experimental elastic (quasi-elastic) backscattering excitation function taken at a single angle.

Nuclear structure in deep-inelastic reactions

International Nuclear Information System (INIS)

Rehm, K.E.

1986-01-01

The paper concentrates on recent deep inelastic experiments conducted at Argonne National Laboratory and the nuclear structure effects evident in reactions between super heavy nuclei. Experiments indicate that these reactions evolve gradually from simple transfer processes which have been studied extensively for lighter nuclei such as 16 O, suggesting a theoretical approach connecting the one-step DWBA theory to the multistep statistical models of nuclear reactions. This transition between quasi-elastic and deep inelastic reactions is achieved by a simple random walk model. Some typical examples of nuclear structure effects are shown. 24 refs., 9 figs

Spin observables in inelastic proton-nucleus scattering at intermediate energy

International Nuclear Information System (INIS)

Smith, R.D.

1984-01-01

This dissertation is a study of spin observables in inelastic proton-nucleus reactions for incident proton energies near 1 GeV. At this energy, the dominant reaction mechanisms are (1) quasi-free knockout of one or more nucleons, and (2) pion production through the Δ resonance. The cross section due to quasi-free knockout can be reasonably well understood theoretically in a multiple scattering picture, which uses measured NN amplitudes as input. Calculations of this sort were carried out in reference [10] using scalar NN amplitudes parameterized as Gaussians. The author has extended this picture to include spin dependent NN amplitudes. This allows calculation of all the spin observables, Ay, DLL, DSS, DNN, DLS, and DSL, as well as the cross section dsigma/dOmegadp due to quasi-free knockout of one or more particles. The cross section and polarization Ay have been measured at the LAMPF High Resolution Spectrometer at T/sub L/ = 800 MeV on 12 C. The theoretical results agree well with the data in the quasi-free region. The results for the remaining spin observables provide predictions for experiments which can be performed at LAMPF. By comparing the calculations with the data, it may be possible to separate the contribution due to a quasi-free knockout, and see a signature of quasi-free Δ production in the spin observables

Convergence acceleration of quasi-periodic and quasi-periodic-rational interpolations by polynomial corrections

OpenAIRE

Lusine Poghosyan

2014-01-01

The paper considers convergence acceleration of the quasi-periodic and the quasi-periodic-rational interpolations by application of polynomial corrections. We investigate convergence of the resultant quasi-periodic-polynomial and quasi-periodic-rational-polynomial interpolations and derive exact constants of the main terms of asymptotic errors in the regions away from the endpoints. Results of numerical experiments clarify behavior of the corresponding interpolations for moderate number of in...

Landau Quasi-energy Spectrum Destruction for an Electron in Both a Static Magnetic Field and a Resonant Electromagnetic Wave

International Nuclear Information System (INIS)

Skoblin, A.A.

1994-01-01

Free nonrelativistic electrons in both a static magnetic field and an electromagnetic wave are considered. A plane-polarized wave propagates along a magnetic field, its frequency is close to the electron rotation frequency in a magnetic field. Electron spin is taken into account. An electron quasi energy spectrum and steady states (quasi energy states) are constructed. 6 refs

Magnetic field power density spectra during 'scatter-free' solar particle events

Science.gov (United States)

Tan, L. C.; Mason, G. M.

1993-01-01

We have examined interplanetary magnetic field power spectral density during four previously identified 3He-rich flare periods when the about 1 MeV nucleon-1 particles exhibited nearly scatter-free transport from the sun to 1 AU. Since the scattering mean free path A was large, it might be expected that interplanetary turbulence was low, yet the spectral density value was low only for one of the four periods. For the other three, however, the spectral index q of the power density spectrum was near 2.0, a value at which quasi-linear theories predict an increase in the scattering mean free path. Comparing the lambda values from the energetic particles with that computed from a recent quasi-linear theory which includes helicity and the propagation direction of waves, we find lambda(QLT)/lambda(SEP) = 0.08 +/- 0.03 for the four events. Thus, the theory fits the q-dependence of lambda; however, as found for previous quasi-linear theories, the absolute value is low.

2H(d,p)3H and 2H(d,n)3He reactions at sub-coulomb energies

International Nuclear Information System (INIS)

Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Spartá, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

2012-01-01

The 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes have been measured in quasi free kinematics to investigate for the first time the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by means of the Trojan Horse Method. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Rapid acquisition and model-based analysis of cell-free transcription–translation reactions from nonmodel bacteria

Science.gov (United States)

Wienecke, Sarah; Ishwarbhai, Alka; Tsipa, Argyro; Aw, Rochelle; Kylilis, Nicolas; Bell, David J.; McClymont, David W.; Jensen, Kirsten; Biedendieck, Rebekka

2018-01-01

Native cell-free transcription–translation systems offer a rapid route to characterize the regulatory elements (promoters, transcription factors) for gene expression from nonmodel microbial hosts, which can be difficult to assess through traditional in vivo approaches. One such host, Bacillus megaterium, is a giant Gram-positive bacterium with potential biotechnology applications, although many of its regulatory elements remain uncharacterized. Here, we have developed a rapid automated platform for measuring and modeling in vitro cell-free reactions and have applied this to B. megaterium to quantify a range of ribosome binding site variants and previously uncharacterized endogenous constitutive and inducible promoters. To provide quantitative models for cell-free systems, we have also applied a Bayesian approach to infer ordinary differential equation model parameters by simultaneously using time-course data from multiple experimental conditions. Using this modeling framework, we were able to infer previously unknown transcription factor binding affinities and quantify the sharing of cell-free transcription–translation resources (energy, ribosomes, RNA polymerases, nucleotides, and amino acids) using a promoter competition experiment. This allows insights into resource limiting-factors in batch cell-free synthesis mode. Our combined automated and modeling platform allows for the rapid acquisition and model-based analysis of cell-free transcription–translation data from uncharacterized microbial cell hosts, as well as resource competition within cell-free systems, which potentially can be applied to a range of cell-free synthetic biology and biotechnology applications. PMID:29666238

Towards GMO-free landscapes? Identifying driving factors for the establishment of cooperative GMO-free zones in Germany

OpenAIRE

Consmuller, Nicola; Beckmann, Volker; Petrick, Martin

2011-01-01

Since the end of the quasi-moratorium on genetically modified organisms (GMO) in the European Union in 2004, the establishment of GMO-free zones has become an EU wide phenomenon. In contrast to other European countries, Germany follows the concept of cooperative GMO-free zones where neighbouring farmers contractually refrain from GMO cultivation. In this article, we address the question which underlying factors could account for the establishment of cooperative GMO-free zones in Germany. Draw...

Effect of temperature on a free energy and equilibrium constants during dry flue gas desulphurisation chemical reactions

Directory of Open Access Journals (Sweden)

Kuburović Miloš

2002-01-01

Full Text Available During dry flue gas desulphurisation (FGD dry particles of reagents are inserted (injected in the stream of flue gas, where they bond SO2. As reagents, the most often are used compounds of calcium (CaCO3, CaO or Ca(OH2. Knowledge of free energy and equilibrium constants of chemical reactions during dry FGD is necessary for understanding of influence of flue gas temperature to course of these chemical reactions as well as to SO2 bonding from flue gases.

The Concentration Dependence of the (Delta)s Term in the Gibbs Free Energy Function: Application to Reversible Reactions in Biochemistry

Science.gov (United States)

Gary, Ronald K.

2004-01-01

The concentration dependence of (delta)S term in the Gibbs free energy function is described in relation to its application to reversible reactions in biochemistry. An intuitive and non-mathematical argument for the concentration dependence of the (delta)S term in the Gibbs free energy equation is derived and the applicability of the equation to…

A simple approach to the solvent reorganisation Gibbs free energy in electron transfer reactions of redox metalloproteins

DEFF Research Database (Denmark)

Ulstrup, Jens

1999-01-01

We discuss a simple model for the environmental reorganisation Gibbs free energy, E-r, in electron transfer between a metalloprotein and a small reaction partner. The protein is represented as a dielectric globule with low dielectric constant, the metal centres as conducting spheres, all embedded...

The predator-prey models for the mechanism of autocatalysis, pair wise interactions and movements to free places

Directory of Open Access Journals (Sweden)

Muhammad Shakil

2015-12-01

Full Text Available In this paper we aim to develop the modeled equations for different types of mechanism of the predator-prey interactions with the help of a quasi chemical approach while taking a special study case of foxes and rabbits, these mechanisms include autocatalysis mechanism, pair wise interactions and the mechanism of their movements to some free places. The chemical reactions representing the interactions obey the mass action law. The territorial animal like fox is assigned a simple cell as its territory. Under the proper relations between coefficients, this system may demonstrate globally stable dynamics.

The quantification of free Amadori compounds and amino acids allows to model the bound Maillard reaction products formation in soybean products.

Science.gov (United States)

Troise, Antonio Dario; Wiltafsky, Markus; Fogliano, Vincenzo; Vitaglione, Paola

2018-05-01

The quantification of protein bound Maillard reaction products (MRPs) is still a challenge in food chemistry. Protein hydrolysis is the bottleneck step: it is time consuming and the protein degradation is not always complete. In this study, the quantitation of free amino acids and Amadori products (APs) was compared to the percentage of blocked lysine by using chemometric tools. Eighty thermally treated soybean samples were analyzed by mass spectrometry to measure the concentration of free amino acids, free APs and the protein-bound markers of the Maillard reaction (furosine, Nε-(carboxymethyl)-l-lysine, Nε-(carboxyethyl)-l-lysine, total lysine). Results demonstrated that Discriminant Analysis (DA) and Correlated Component Regression (CCR) correctly estimated the percent of blocked lysine in a validation and prediction set. These findings indicate that the measure of free markers reflects the extent of protein damage in soybean samples and it suggests the possibility to obtain rapid information on the quality of the industrial processes. Copyright © 2017 Elsevier Ltd. All rights reserved.

The (3He,t) and (d,2He)reactions at intermediate energies

International Nuclear Information System (INIS)

Brockstedt, A.

1987-09-01

The ( 3 He,t) reaction has been studied at 0.6-2.3 GeV at small scattering angles, 0-7 degrees, on various nuclei ( 12 C, 13 C, 26 Mg, 40 Ca, 48 Ca, 54 Fe, 90 Zr, 159 Tb, 208 Pb) including a proton target. The reaction is a single-step reaction and selects the spin-isospin channel. Angular distributions for low-lying states in 12 N are well described by DWIA calculations. From 13 C to 13 N transitions the ratio J στ /J τ , at momentum transfer, q, close to zero, is derived. The ratio remains roughly constant in the region 300 - 700 MeV/nucleon. The position of the quasi-free peak is shifted compared with free nucleon-nucleon scattering. The shift is towards higher excitation energies at q approx 1.4 fm -1 , and towards lower excitation energies at q approx 2.5 fm -1 . The p( 3 He,t)Δ ++ reaction is analysed as one-pion exchange and the ( 3 He,t) form factor is extracted. The shape and position of the Δ resonance seem to be independent of target mass for the targets studied. Compared with the p to Δ ++ transition the position is shifted towards lower excitation energy in nuclei. The (d,2p[ 1 S 0 ]) reaction, with the two protons in an 1 S 0 state labelled 2 He, is studied at 0.65 and 2.0 GeV at small angles, 0-4 degrees, on some of the targets used in the ( 3 He,t) experiment (p, 12 C, 40 Ca, 54 Fe). This reaction is also a one-step reaction that can be used for studies of spin-isospin excitations. Cross sections and tensor analysing powers are determined for the p(d, 2 He)n reaction. These results are compared with PWIA calculations. The Δ resonance in carbon is also here shifted down in excitation energy compared with the proton target. (author)

Fission dynamics of superheavy nuclei formed in uranium induced reactions

International Nuclear Information System (INIS)

Gurjit Kaur; Sandhu, Kirandeep; Sharma, Manoj K.

2017-01-01

The compound nuclear system follows symmetric fission if the competing processes such as quasi-elastic, deep inelastic, quasi-fission etc are absent. The contribution of quasi fission events towards the fusion-fission mechanism depends on the entrance channel asymmetry of reaction partners, deformations and orientations of colliding nuclei beside the dependence on energy and angular momentum. Usually the 209 Bi and 208 Pb targets are opted for the production of superheavy nuclei with Z CN =104-113. The nuclei in same mass/charge range can also be synthesized using actinide targets + light projectiles (i.e. asymmetric reaction partners) via hot fusion interactions. These actinide targets are prolate deformed which prefer the compact configurations at above barrier energies, indicating the occurrence of symmetric fission events. Here an attempt is made to address the dynamics of light superheavy system (Z CN =104-106), formed via hot fusion interactions involving actinide targets

Phase-field modeling of isothermal quasi-incompressible multicomponent liquids

Science.gov (United States)

Tóth, Gyula I.

2016-09-01

In this paper general dynamic equations describing the time evolution of isothermal quasi-incompressible multicomponent liquids are derived in the framework of the classical Ginzburg-Landau theory of first order phase transformations. Based on the fundamental equations of continuum mechanics, a general convection-diffusion dynamics is set up first for compressible liquids. The constitutive relations for the diffusion fluxes and the capillary stress are determined in the framework of gradient theories. Next the general definition of incompressibility is given, which is taken into account in the derivation by using the Lagrange multiplier method. To validate the theory, the dynamic equations are solved numerically for the quaternary quasi-incompressible Cahn-Hilliard system. It is demonstrated that variable density (i) has no effect on equilibrium (in case of a suitably constructed free energy functional) and (ii) can influence nonequilibrium pattern formation significantly.

Study of the (p,px) reaction at 156 MeV on some light nuclei; Etude de la reaction (p,px) a 156 Mev sur quelques noyaux legers

Energy Technology Data Exchange (ETDEWEB)

Bachelier, Daniel

1971-05-04

This research thesis reports the study of four quasi-elastic diffusion reactions of (p,px) type at 156 MeV: {sup 6}Li(p,pd ){sup 4}He, {sup 6}Li(p,pr){sup 3}H, {sup 7}Li(p,pt){sup 4}He and {sup 12}C(p,pd){sup 10}B. The objectives were to check the quasi-elastic character of these reactions and to describe them by pulse approximations with plane waves, to study their selection rules and to understand their angular correlations with respect to momentum distribution in the target nucleus of ejected substructures (clusters), to compare the probabilities of different configurations corresponding to different models, and, in the case of carbon, to compare the experimental energy spectrum with theoretical predictions. After a discussion of the theoretical expression of the cross-section of a quasi-elastic reaction, and a presentation of the different nuclear models which have been used for this reaction type, the author reports the study of the kinematics of these reactions by defining the conditions under which the knock-out mechanism is promoted. The author describes the beam, targets, detectors and electronic devices used for this study. He addresses the methods used to identify events and to analyse results. Experimental results are presented and compared with theoretical results and with other published experimental results.

Kudi: A free open-source python library for the analysis of properties along reaction paths.

Science.gov (United States)

Vogt-Geisse, Stefan

2016-05-01

With increasing computational capabilities, an ever growing amount of data is generated in computational chemistry that contains a vast amount of chemically relevant information. It is therefore imperative to create new computational tools in order to process and extract this data in a sensible way. Kudi is an open source library that aids in the extraction of chemical properties from reaction paths. The straightforward structure of Kudi makes it easy to use for users and allows for effortless implementation of new capabilities, and extension to any quantum chemistry package. A use case for Kudi is shown for the tautomerization reaction of formic acid. Kudi is available free of charge at www.github.com/stvogt/kudi.

π++d→p+p reaction

International Nuclear Information System (INIS)

Pong, W.S.

1978-01-01

The cross section was calculated for plane waves and distorted waves (including effects of quasi-free scattering) and compared with experimental data up to 600 MeV c.m. energy of outgoing proton. The calculated values are several times larger than the measured ones. 3 figures

Ambiguities in the reaction mechanism for (e,e'N)

International Nuclear Information System (INIS)

Forest, T. de Jr.

1984-01-01

The primary motivation for performing quasi-elastic (e,e'N) experiments revolves around the plane wave impulse approximation (PWIA) description of this reaction. Since the PWIA is an approximation, corrections are necessary in practice in order to extract the desired nuclear structure. Unless one understands the physics behind these corrections this introduces ambiguities. In fact the PWIA itself is an ambiguous prescription since a 'free' off-shell cross section is not a well-defined concept. It is these ambiguities which are discussed in this talk. Most of the paper is devoted to the ambiguities associated with the electromagnetic interaction. The author concentrates on four topics: (1) the interaction of the electron with the nucleus in general; (2) ambiguities in the application of the impulse approximation; (3) the sigma-omega model; and (4) the Coulomb sum rule. (Auth.)

Novel binder-free forming of Al2O3 ceramics by microwave-assisted hydration reaction

International Nuclear Information System (INIS)

Shirai, Takashi; Yasuoka, Masaki; Watari, Koji

2008-01-01

A novel binder-free forming of ceramics via microwave irradiation is developed. The irradiation of microwave to an alumina green body enhances the hydration reaction strongly between water and particle surfaces, creating surface aluminum trihydroxides structure adjacent to particles that bind them together tightly. This process makes it possible to manufacture mechanically strong green bodies with excellent shape retention ability without the use of organic binders

Gram-scale synthesis of highly crystalline, 0-D and 1-D SnO2 nanostructures through surfactant-free hydrothermal process

International Nuclear Information System (INIS)

Pal, Umapada; Pal, Mou; Sánchez Zeferino, Raul

2012-01-01

We report the synthesis of highly crystalline SnO 2 nanoparticle and nanorod structures with average diameters well within quantum confinement limit (3.5−6.4 nm), through surfactant-free hydrothermal synthesis. The size and shape of the nanostructures could be controlled by controlling the pH (4.5–13.0) of the reaction mixture and the temperature of hydrothermal treatment. Probable mechanisms for the variation of particle size and growth of one-dimensional structures are presented considering the size-dependent crystal solubility at lower pH values of the reaction solution and Ostwald ripening of the quasi-spherical nanoparticles at higher pH values, respectively. Variation of optical band gap energy and hence the effects of quantum confinement in the nanostructures have been studied.

Gibbs free energy of reactions involving SiC, Si3N4, H2, and H2O as a function of temperature and pressure

Science.gov (United States)

Isham, M. A.

1992-01-01

Silicon carbide and silicon nitride are considered for application as structural materials and coating in advanced propulsion systems including nuclear thermal. Three-dimensional Gibbs free energy were constructed for reactions involving these materials in H2 and H2/H2O. Free energy plots are functions of temperature and pressure. Calculations used the definition of Gibbs free energy where the spontaneity of reactions is calculated as a function of temperature and pressure. Silicon carbide decomposes to Si and CH4 in pure H2 and forms a SiO2 scale in a wet atmosphere. Silicon nitride remains stable under all conditions. There was no apparent difference in reaction thermodynamics between ideal and Van der Waals treatment of gaseous species.

Relation between the 16O(α,γ)20Ne capture reaction and its reverse 20Ne(γ,α)16O photodisintegration reaction in stars and in the lab

International Nuclear Information System (INIS)

Mohr, P.; Angulo, C.; Descouvemont, P.

2005-01-01

The astrophysical reaction rates of the 16 O(α,γ) 20 Ne capture reaction and its reverse 20 Ne(γ,α) 16 O photodisintegration reaction are dominated by a few narrow resonances. Only at very low temperatures direct capture plays a significant role. Usually the reaction rate of photodisintegration reactions is calculated from the reaction rate of the corresponding capture reaction using the detailed balanced theorem. This is only valid for nuclei which are thermalized. The reaction rates of the 16 O(α,γ) 20 Ne capture reaction in the lab and under stellar conditions are identical. However, for the inverse 20 Ne(γ,α) 16 O photodisintegration reaction one finds a significant contribution of the thermally populated first excited state at E x = 1634 keV in 20 Ne. Consequently, the reaction rates of the 20 Ne(γ,α) 16 O photodisintegration reaction are different in the lab and under stellar conditions. It is shown that the detailed balance theorem remains valid for the reaction rates under stellar conditions. Photodisintegration rates in the lab have been measured recently using a quasi-thermal photon spectrum from bremsstrahlung, and a quasi-thermal photon spectrum with superior quality has been suggested using high-energy synchrotron radiation. (author)

Competitive and successive reactions in the position cluster and energy state of positronium in the liquids

International Nuclear Information System (INIS)

Didierjean, F.

1991-10-01

By combining two independent positron annihilation techniques, it is shown that, in polar solvents, the halogenated compounds inhibit positronium formation by quasi-free electron scavenging followed by positron capture. This sequence occurs before halide detachment intervenes. Studying mixtures of solutes allows both to confirm the existence of these successive reactions and to stress the influence, towards positronium formation, of the trap depth for the electron captured by nitrates, whether ion associated or not, in methanol. Finally, experiments in the presence of a magnetic field allow to conclude that the formed positronium is very rapidly thermalized, then localised in a potential well in the liquids, the so-called bubble [fr

Free-standing ternary NiWP film for efficient water oxidation reaction

Science.gov (United States)

Yang, Yunpeng; Zhou, Kuo; Ma, Lili; Liang, Yanqin; Yang, Xianjin; Cui, Zhenduo; Zhu, Shengli; Li, Zhaoyang

2018-03-01

High-efficient catalysts for oxygen evolution reaction (OER) is of great concern in improving energy efficiency for water splitting. Here we report a high-performance OER electrocatalyst of nickel-tungsten-phosphorus (NiWP) film prepared by template method. This free-standing ternary electrocatalyst exhibits a remarkable electrocatalytic activity of OER in alkaline medium due to the synergetic effect among these elements and the good electrical conductivity. The reported NiWP composite catalyst has an overpotential of as low as 0.4 V (vs. RHE) at 30 mA cm-2, better than that of the commercial RuO2 catalyst. Moreover, a small charge transfer resistance of 4.06 Ω and a Tafel slope of 68 mV dec-1 demonstrate the outstanding catalytic activity.

Wave propagation in a quasi-chemical equilibrium plasma

Science.gov (United States)

Fang, T.-M.; Baum, H. R.

1975-01-01

Wave propagation in a quasi-chemical equilibrium plasma is studied. The plasma is infinite and without external fields. The chemical reactions are assumed to result from the ionization and recombination processes. When the gas is near equilibrium, the dominant role describing the evolution of a reacting plasma is played by the global conservation equations. These equations are first derived and then used to study the small amplitude wave motion for a near-equilibrium situation. Nontrivial damping effects have been obtained by including the conduction current terms.

Determination of Free Fatty Acid by FT-NIR Spectroscopy in Esterification Reaction for Biodiesel Production

Directory of Open Access Journals (Sweden)

Djéssica Tatiana Raspe

2013-01-01

Full Text Available This work reports the use of FT-NIR spectroscopy coupled with multivariate calibration to determine the percentage of free fatty acids (FFA in samples obtained by the esterification of FFA in vegetable oils. The analytical method used as calibration matrix samples of the reaction medium of esterification of oleic acid in soybean oil in proportions of 0.3 to 40 wt% (by weight of oleic acid obtained under different experimental conditions and utilized the partial least squares (PLS regression. The efficiency of the method was tested to predict the content of FFA in reactions of esterification of oleic acid in soybean oil catalysed by KSF clay and Amberlyst 15 commercial resin, both in a batch mode. Good Correlations were observed between the FT-NIR/PLS method and the reference method (AOCS. The results confirm that FT-NIR spectroscopy, in combination with multivariate calibration, is a promising technique for monitoring esterification reaction for biodiesel production.

Theory of Quasi-Equilibrium Nucleosynthesis and Applications to Matter Expanding from High Temperature and Density

Science.gov (United States)

Meyer, Bradley S.; Krishnan, Tracy D.; Clayton, Donald D.

1998-05-01

QSE. We demonstrate that the true final abundances are well approximated by the QSE distribution near the freezeout temperature T9f = 4.0. During the expansion, the QSE distribution changes shape continuously in ways that are independent of the reaction cross sections of the heavy nuclei with free light particles. It is this changing shape, rather than ``nuclear flows,'' that establish the abundance pattern. The abundance pattern is actually determined by the parameter Yh and the degree to which it differs from the NSE value owing to the slowness with which light particles can be assembled into heavy nuclei (A >= 12). We also detail the nature and magnitude of the freezeout corrections to the QSE distribution. The entire distribution depends less upon the values of heavy-element cross sections than has been heretofore thought. Our third goal is to survey the alpha-rich freezeout. We do this by less complete analysis of nine different expansions determined by the matrix of three distinct entropies (φ = 1.7, 6.8, and 17) and three distinct initial neutron excesses (η0 = 0.003, 0.10, and 0.1667). The trends are easily comprehended in terms of the concept of quasi-equilibrium, whereas they are not understandable in terms of either NSE or in terms of reaction rates. This secures for the QSE concept a major diagnostic capability within nucleosynthesis theory. We delineate the key trends and also remark on the ways that order arises from disorder in this complex system. We conclude with a discussion of how such systems assemble heavy nuclei.

The Causes of Quasi-homologous CMEs

Energy Technology Data Exchange (ETDEWEB)

Liu, Lijuan; Wang, Yuming; Liu, Rui; Zhou, Zhenjun; Liu, Jiajia; Liu, Kai; Shen, Chenglong; Zhang, Quanhao [CAS Key Laboratory of Geospace Environment, Department of Geophysics and Planetary Sciences, University of Science and Technology of China, Hefei, Anhui, 230026 (China); Temmer, M.; Thalmann, J. K.; Veronig, A. M., E-mail: ymwang@ustc.edu.cn, E-mail: ljliu@mail.ustc.edu.cn [Institute of Physics/IGAM, University of Graz, Universitätsplatz 5/II, A-8010 Graz (Austria)

2017-08-01

In this paper, we identified the magnetic source locations of 142 quasi-homologous (QH) coronal mass ejections (CMEs), of which 121 are from solar cycle (SC) 23 and 21 from SC 24. Among those CMEs, 63% originated from the same source location as their predecessor (defined as S-type), while 37% originated from a different location within the same active region as their predecessor (defined as D-type). Their distinctly different waiting time distributions, peaking around 7.5 and 1.5 hr for S- and D-type CMEs, suggest that they might involve different physical mechanisms with different characteristic timescales. Through detailed analysis based on nonlinear force-free coronal magnetic field modeling of two exemplary cases, we propose that the S-type QH CMES might involve a recurring energy release process from the same source location (by magnetic free energy replenishment), whereas the D-type QH CMEs can happen when a flux tube system is disturbed by a nearby CME.

Stabilized quasi-Newton optimization of noisy potential energy surfaces

Energy Technology Data Exchange (ETDEWEB)

Schaefer, Bastian; Goedecker, Stefan, E-mail: stefan.goedecker@unibas.ch [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland); Alireza Ghasemi, S. [Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, IR-Zanjan (Iran, Islamic Republic of); Roy, Shantanu [Computational and Systems Biology, Biozentrum, University of Basel, CH-4056 Basel (Switzerland)

2015-01-21

Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods.

Stabilized quasi-Newton optimization of noisy potential energy surfaces

International Nuclear Information System (INIS)

Schaefer, Bastian; Goedecker, Stefan; Alireza Ghasemi, S.; Roy, Shantanu

2015-01-01

Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods

Estimation of PHI (γ,n) average probability for complex nuclei in the quasi-deuteron region

International Nuclear Information System (INIS)

Ferreira, M.C. da S.

1977-01-01

The average probabilities of (γ,n) reactions for complexe nuclei of 6 C 12 , 19 F 19 , 25 Mn 55 , 79 Au 197 and 92 U 238 , in the energy range from giant resonance end to photomesonic threshold (quasi-deuteron region), using values of cross sections per quantum equivalent to 300 Mev produced by Bremsstrahlung photons in the Frascati and Orsay accelerators were determined. The probabilities were also calculated using nuclear transparence for protons and neutrons, resultants from quasi-deuteron disintegration. The transparence formulaes were determined by optical model. (M.C.K.) [pt

The fluorine destruction in stars: First experimental study of the 19F(p,α)16O reaction at astrophysical energies

International Nuclear Information System (INIS)

La Cognata, M.; Mukhamedzhanov, A.; Spitaleri, C.; Indelicato, I.; Aliotta, M.; Burjan, V.; Cherubini, S.; Coc, A.; Gulino, M.; Hons, Z.; Kiss, G. G.; Kroha, V.; Lamia, L.; Mrazek, J.; Palmerini, S.; Piskor, S.; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.

2012-01-01

The 19 F(p,α) 16 O reaction is an important fluorine destruction channel in the proton-rich outer layers of asymptotic giant branch (AGB) stars and it might also play a role in hydrogendeficient post-AGB star nucleosynthesis. So far, available direct measurements do not reach the energy region of astrophysical interest (E cm ∼ 300 keV), because of the hindrance effect of the Coulomb barrier. The Trojan Horse (TH) method was thus used to access this energy region, by extracting the quasi-free contribution to the 2 H( 19 F,α 16 O)n reaction. The TH measurement of the α 0 channel, which is the dominant one at such energies, shows the presence of resonant structures not observed before that cause an increase of the reaction rate at astrophysical temperatures up to a factor of 1.7, with potential important consequences for stellar nucleosynthesis.

A Recyclable Cu-MOF-74 Catalyst for the Ligand-Free O-Arylation Reaction of 4-Nitrobenzaldehyde and Phenol.

Science.gov (United States)

Leo, Pedro; Orcajo, Gisela; Briones, David; Calleja, Guillermo; Sánchez-Sánchez, Manuel; Martínez, Fernando

2017-06-16

The activity and recyclability of Cu-MOF-74 as a catalyst was studied for the ligand-free C-O cross-coupling reaction of 4-nitrobenzaldehyde (NB) with phenol (Ph) to form 4-formyldiphenyl ether (FDE). Cu-MOF-74 is characterized by having unsaturated copper sites in a highly porous metal-organic framework. The influence of solvent, reaction temperature, NB/Ph ratio, catalyst concentration, and basic agent (type and concentration) were evaluated. High conversions were achieved at 120 °C, 5 mol % of catalyst, NB/Ph ratio of 1:2, DMF as solvent, and 1 equivalent of K₂CO₃ base. The activity of Cu-MOF-74 material was higher than other ligand-free copper catalytic systems tested in this study. This catalyst was easily separated and reused in five successive runs, achieving a remarkable performance without significant porous framework degradation. The leaching of copper species in the reaction medium was negligible. The O-arylation between NB and Ph took place only in the presence of Cu-MOF-74 material, being negligible without the solid catalyst. The catalytic advantages of using nanostructured Cu-MOF-74 catalyst were also proven.

Does the number of free nicotine patches given to smokers calling a quitline influence quit rates: results from a quasi-experimental study

Directory of Open Access Journals (Sweden)

Mahoney Martin

2010-04-01

Full Text Available Abstract Background The offer of free nicotine replacement therapy (NRT can be a cost-effective marketing strategy to induce smokers to call a telephone quitline for quitting assistance. However, the most cost-effective supply of free NRT to provide to smokers who call a quitline remains unknown. This study tests the hypothesis that smokers who call a telephone quitline and are given more free nicotine patches would report higher quit rates upon follow-up 12 months later. Methods A quasi-experimental design was used to assess nicotine patch usage patterns and quit rates among five groups of smokers who called the New York State Smokers' Quitline (NYSSQL between April 2003 and May 2006 and were mailed 2-, 4-, 6- or 8-week supplies of free nicotine patches. The study population included 2,442 adult (aged 18 years or older current daily smokers of 10 or more cigarettes per day, who were willing to make a quit attempt, and reported no contraindications for using the nicotine patch. Outcome variables assessed included the percentage of smokers who reported that they had not smoked for at least 7-days at the time of a 12 months telephone follow-up survey, sustained quitting, delayed quitting and nicotine patch use. Results Quit rates measured at 12 months were higher for smokers in the groups who received either 2, 6, or 8 weeks of free patches. The lowest quit rate was observed among the group of Medicaid/uninsured smokers who were eligible to receive up to six weeks of free patches. The quit rate for the 4-week supply group did not differ significantly from the 6-week or 8-week groups. These patterns remained similar in an intent-to-treat analysis of 12-month quit rates and in an analysis of sustained quitting. Conclusion No clear cut dose response relationship was observed between the number of free nicotine patches sent to smokers and smoking outcomes. Baseline diferences in the characteristics of the groups compared could account for the null

Monolithic quasi-sliding-mode controller for SIDO buck converter with a self-adaptive free-wheeling current level

International Nuclear Information System (INIS)

Wu Xiaobo; Liu Qing; Zhao Menglian; Chen Mingyang

2013-01-01

An analog implementation of a novel fixed-frequency quasi-sliding-mode controller for single-inductor dual-output (SIDO) buck converter in pseudo-continuous conduction mode (PCCM) with a self-adaptive freewheeling current level (SFCL) is presented. Both small and large signal variations around the operation point are considered to achieve better transient response so as to reduce the cross-regulation of this SIDO buck converter. Moreover, an internal integral loop is added to suppress the steady-state regulation error introduced by conventional PWM-based sliding mode controllers. Instead of keeping it as a constant value, the free-wheeling current level varies according to the load condition to maintain high power efficiency and less cross-regulation at the same time. To verify the feasibility of the proposed controller, an SIDO buck converter with two regulated output voltages, 1.8 V and 3.3 V, is designed and fabricated in HEJIAN 0.35 μm CMOS process. Simulation and experiment results show that the transient time of this SIDO buck converter drops to 10 μs while the cross-regulation is reduced to 0.057 mV/mA, when its first load changes from 50 to 100 mA. (semiconductor integrated circuits)

Measurement of activation cross sections of the {sup 27}Al(n,α){sup 24}Na and {sup 27}Al(n,p){sup 27}Mg reactions with quasi-monoenergetic neutrons

Energy Technology Data Exchange (ETDEWEB)

Zaman, Muhammad; Kim, Guinyun; Kim, Kwangsoo [Kyungpook National Univ., Daegu (Korea, Republic of). Dept. of Physics; Naik, Haladhara [Kyungpook National Univ., Daegu (Korea, Republic of). Dept. of Physics; Bhabha Atomic Research Centre, Mumbai (India). Radiochemistry Div.; Lee, Young-Ouk; Cho, Young-Sik [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of). Nuclear Data Center; Lee, Man Woo; Kang, Yeong-Rok [Dongnam Institute of Radiological and Medical Science, Busan (Korea, Republic of). Research Center

2017-10-01

The cross sections of the {sup 27}Al(n,α){sup 24}Na and {sup 27}Al(n,p){sup 27}Mg reactions with the average neutron energies of 15.2, 26.4, and 37.2 MeV were measured using the activation and off-line γ-ray spectrometric technique at the Korean Institute of Radiological and Medical Sciences (KIRAMS), Korea. Quasi-monoenergetic neutrons produced via the {sup 9}Be(p,n) reaction with the proton beam energies of 25, 35, and 45 MeV from the MC50 cyclotron of KIRAMS were used. The present measured values were compared with those from the evaluated nuclear data libraries ENDF/B-VII, TENDL-2015, TALYS 1.8, and from literature. In general, a close agreement with the literature data as well as the evaluated data was found.

Purification of free hydrogen or hydrogen combined in a gaseous mixture by chemical reactions with uranium

International Nuclear Information System (INIS)

Caron-Charles, M.; Gilot, B.

1989-01-01

Within the framework of the European fusion program, the authors are dealing with the tritium technology aspect. Hydrogen, free or under a combined form within a H 2 , N 2 , NH 3 , O 2 , gaseous mixture, can be purified by chemical reactions with uranium metal. The resulting reactions consist in absorbing the impurities without holding back H 2 . Working conditions have been defined according to two main goals: the formation of stable solid products, especially under hydrogenated atmosphere and the optimization of the material quantities to be used. Thermodynamical considerations have shown that the 950-1300 K temperature range should be suitable for this chemical process. Experiments performed with massive uranium set in a closed reactor at 973 K, have produced hydrogen according to the predicted reactions rates. But they have also pointed out the importance of interferences that might occur in the uranium-gas system, on the gases conversion rates. The comparison between the chemical kinetic ratings of the reactions of pure gases and the chemical kinetic ratings of the reactions of the same gases in mixture, has been set up. It proves that simultaneous reactions can modify the working conditions of the solid products formation, and particularly modify their structure. In this case, chemical kinetic ratings are increased up to their maximal value; that means surface phenomena are favoured as with uranium powder gases reactions. (orig.)

Chen-Nester-Tung quasi-local energy and Wang-Yau quasi-local mass

Science.gov (United States)

Liu, Jian-Liang; Yu, Chengjie

2017-10-01

In this paper, we show that the Chen-Nester-Tung (CNT) quasi-local energy with 4D isometric matching references is closely related to the Wang-Yau (WY) quasi-local energy. As a particular example, we compute the second variation of the CNT quasi-local energy for axially symmetric Kerr-like spacetimes with axially symmetric embeddings at the obvious critical point (0 , 0) and find that it is a saddle critical point in most of the cases. Also, as a byproduct, we generalize a previous result about the coincidence of the CNT quasi-local energy and Brown-York mass for axially symmetric Kerr-like spacetimes by Tam and the first author Liu and Tam (2016) to general spacetimes.

Quantum Mechanics/Molecular Mechanics Free Energy Maps and Nonadiabatic Simulations for a Photochemical Reaction in DNA: Cyclobutane Thymine Dimer.

Science.gov (United States)

Mendieta-Moreno, Jesús I; Trabada, Daniel G; Mendieta, Jesús; Lewis, James P; Gómez-Puertas, Paulino; Ortega, José

2016-11-03

The absorption of ultraviolet radiation by DNA may result in harmful genetic lesions that affect DNA replication and transcription, ultimately causing mutations, cancer, and/or cell death. We analyze the most abundant photochemical reaction in DNA, the cyclobutane thymine dimer, using hybrid quantum mechanics/molecular mechanics (QM/MM) techniques and QM/MM nonadiabatic molecular dynamics. We find that, due to its double helix structure, DNA presents a free energy barrier between nonreactive and reactive conformations leading to the photolesion. Moreover, our nonadiabatic simulations show that most of the photoexcited reactive conformations return to standard B-DNA conformations after an ultrafast nonradiative decay to the ground state. This work highlights the importance of dynamical effects (free energy, excited-state dynamics) for the study of photochemical reactions in biological systems.

Preparation of ultra-fine calcium carbonate by a solvent-free reaction using supersonic airflow and low temperatures

OpenAIRE

Cai, Yan-Hua; Ma, Dong-Mei; Peng, Ru-Fang; Chu, Shi-Jin

2008-01-01

The treatment of calcium chloride with sodium carbonate under solvent-free conditions with a supersonic airflow and at a low heating temperature leads to the synthesis of ultra-fine calcium carbonate. The reaction not only involves mild conditions, a simple operation, and high yields but also gives a high conversion rate.

Study of the kinematically complete breakup reaction 2H(p vector, pp)n at Ep=13.0 MeV with polarized protons

International Nuclear Information System (INIS)

Rauprich, G.; Lemaitre, S.; Niessen, P.; Nyga, K.R.; Reckenfelderbaeumer, R.; Sydow, L.; Paetz genannt Schieck, H.; Witala, H.; Gloeckle, W.

1991-01-01

The breakup reaction 2 H(p vector,pp)n at E p =13.0 MeV has been measured in a kinematically complete experiment with polarized protons in four special kinematical situations: np final-state interaction, pp quasi-free scattering, collinearity and symmetric space star. These configurations are identical to those of a corresponding 2 H(n,nn) 1 H experiment. The cross sections d 3 σ/dΩ 3 dΩ 4 dS and the vector analyzing powers A y are presented as a function of the arclength of the relevant kinematical loci. They are compared to the rigorous Faddeev calculations using realistic meson-exchange NN potentials, i.e. the Paris and Bonn potential. Comparison with the cross section data of the analog neutron experiment is made. In the quasi-free scattering and the space-star cross sections marked discrepancies with the theoretical predictions, in the latter case also with the neutron results are found. In the collinear and final-state interaction situations the agreement is rather good as well as for all analyzing powers and is even improved by taking the finite angular spread into account. (orig.)

QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins.

Science.gov (United States)

Hayashi, Shigehiko; Uchida, Yoshihiro; Hasegawa, Taisuke; Higashi, Masahiro; Kosugi, Takahiro; Kamiya, Motoshi

2017-05-05

Many remarkable molecular functions of proteins use their characteristic global and slow conformational dynamics through coupling of local chemical states in reaction centers with global conformational changes of proteins. To theoretically examine the functional processes of proteins in atomic detail, a methodology of quantum mechanical/molecular mechanical (QM/MM) free-energy geometry optimization is introduced. In the methodology, a geometry optimization of a local reaction center is performed with a quantum mechanical calculation on a free-energy surface constructed with conformational samples of the surrounding protein environment obtained by a molecular dynamics simulation with a molecular mechanics force field. Geometry optimizations on extensive free-energy surfaces by a QM/MM reweighting free-energy self-consistent field method designed to be variationally consistent and computationally efficient have enabled examinations of the multiscale molecular coupling of local chemical states with global protein conformational changes in functional processes and analysis and design of protein mutants with novel functional properties.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Quasi fusion of 139La + 12C at intermediate energies. A study within the Landau Vlasov approach

International Nuclear Information System (INIS)

Suraud, E.; Schuck, P.

1988-07-01

An extensive study of the La + C reaction at 50 MeV/u is presented. A quasi fusion residue is found for any but very peripheral impact parameters, in agreement with recent experimental results. The same reaction is studied at higher energies and an approximate lower threshold for fusion is given. More symmetric systems are calculated showing a somewhat different behaviour

Competition between fusion and quasi-fission in heavy ion induced reactions

International Nuclear Information System (INIS)

Back, B.B.

1986-09-01

Quantitative analyses of angular distributions and angle-mass correlations have been applied to the U + Ca reaction to obtain upper limit estimates for the cross sections for complete fusion near or below the interaction barrier. Extrapolating to the systems Ca + Cm and Ca + Es using the well established scaling properties of the extra push model, an estimate of the cross sections relevant to the efforts of synthesizing super-heavy elements in the region Z = 116 and N = 184 via heavy-ion fusion reactions are obtained. A simple evaporation calculation using properties of the super heavy elements shows that the failure to observe super-heavy elements with the Ca + Cm reaction is consistent with estimates of the complete fusion process. 33 refs., 9 figs., 1 tab

Selectron production in quasi-elastic electron-proton scattering

International Nuclear Information System (INIS)

Bartels, J.; Hollik, W.

1985-08-01

We calculate the cross section for the production of selectrons in quasi-elastic electron proton scattering at HERA energies. In the region of very small momentum transfer the cross section turns out to be large: e.g. sigma=36 pb for a selectron mass of 60 GeV, tsub(min) 2 ), and photino mass small compared to the selectron mass. Together with the clean experimental signature, this large cross section makes the reaction e+P->e+γ tilde+P one of the most promising HERA-processes in connection with the search for supersymmetric particles. (orig.)

(Quasi-)Poisson enveloping algebras

OpenAIRE

Yang, Yan-Hong; Yao, Yuan; Ye, Yu

2010-01-01

We introduce the quasi-Poisson enveloping algebra and Poisson enveloping algebra for a non-commutative Poisson algebra. We prove that for a non-commutative Poisson algebra, the category of quasi-Poisson modules is equivalent to the category of left modules over its quasi-Poisson enveloping algebra, and the category of Poisson modules is equivalent to the category of left modules over its Poisson enveloping algebra.

The force-free configuration of flux ropes in geomagnetotail: Cluster observations

Science.gov (United States)

Yang, Y. Y.; Shen, C.; Zhang, Y. C.; Rong, Z. J.; Li, X.; Dunlop, M.; Ma, Y. H.; Liu, Z. X.; Carr, C. M.; Rème, H.

2014-08-01

Unambiguous knowledge of magnetic field structure and the electric current distribution is critical for understanding the origin, evolution, and related dynamic properties of magnetic flux ropes (MFRs). In this paper, a survey of 13 MFRs in the Earth's magnetotail are conducted by Cluster multipoint analysis, so that their force-free feature, i.e., the kind of magnetic field structure satisfying J × B = 0, can be probed directly. It is showed that the selected flux ropes with the bipolar signature of the south-north magnetic field component generally lie near the equatorial plane, as expected, and that the magnetic field gradient is rather weak near the axis center, where the curvature radius is large. The current density (up to several tens of nA/m2) reaches their maximum values as the center is approached. It is found that the stronger the current density, the smaller the angles between the magnetic field and current in MFRs. The direct observations show that only quasi force-free structure is observed, and it tends to appear in the low plasma beta regime (in agreement with the theoretic results). The quasi force-free region is generally found to be embedded in the central portion of the MFRs, where the current is approximately field aligned and proportional to the strength of core field. It is shown that ~60% of surveyed MFRs can be globally approximated as force free. The force-free factor α is found to be nonconstantly varied through the quasi force-free MFR, suggesting that the force-free structure is nonlinear.

Quasi-bound alpha resonant states populated by the {sup 12}C({sup 6}Li, d) reaction

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, M.R.D.; Borello-Lewin, T.; Miyake, H.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica; Cunsolo, A.; Cappuzzello, F.; Foti, A.; Agodi, C.; Cavallaro, M. [Istituto Nazionale di Fisica Nucleare (LNS/INFN), Catania (Italy). Lab. Nazionali del Sud; Ukita, G.M. [Universidade de Santo Amaro (UNISA), Sao Paulo, SP (Brazil). Faculdade de Psicologia

2012-07-01

Full text: The alpha cluster phenomenon in the light nuclei structure has been the subject of a long time investigation since the proposal of the Ikeda diagrams [1]. The main purpose of the research program in progress is the investigation of this phenomenon in (x{alpha}) and (x{alpha}+n) nuclei through the ({sup 6}Li, d) alpha transfer reaction [2-4]. Alpha resonant states around the (4{alpha}) threshold in the nucleus {sup 16}O are the focus of the present contribution. In fact, the importance of these resonances at the elements production in stars is recognized, as primarily pointed out by Hoyle in {sup 12}C [6]. The existence of a rotational band with the {alpha} +{sup 12} C (Hoyle) cluster state structure was recently demonstrated by Ohkubo and Hirabayashi [6]. In order to explore this region of interest, measurements of the {sup 12}C({sup 6}Li, d){sup 16}O reaction up to 17 MeV of excitation at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique (plates Fuji G6B, 50 {mu}m thick). Spectra associated with six scattering angles, from 5 deg to 29 deg in the laboratory frame, each one 50 cm along the focal surface, were measured. Several narrow resonances with a quasi-bound behavior embedded in the continuum were detected and the resolution of 25 keV allowed for the separation of doublets not resolved before [7,8]. The absolute cross sections and the respective deuteron angular distributions were determined and the analysis is in progress. [1] K. Ikeda et al., Prog. Theor. Phys. Suppl. E 68, 464 (1968); H. Horiuchi, K. Ikeda, and Y. Suzuki, ibid. 44, 225 (1978). [2] M.R.D.Rodrigues et al., in12th International Conference on Nuclear Reaction Mechanism, Varenna, Italy, edited by F. Cerutti and A. Ferrari , CERN Proceedings, 2010-2, pp. 331- 335. [3] T. Borello-Lewin et al., Proceedings of SOTANCP2, Brussels, Belgium 2010, edited by P. Descouvemount et al., Int. J

Quasi-Lie algebras and Lie groups

International Nuclear Information System (INIS)

Momo Bangoura

2006-07-01

In this work, we define the quasi-Poisson Lie quasigroups, dual objects to the quasi-Poisson Lie groups and we establish the correspondence between the local quasi-Poisson Lie quasigoups and quasi-Lie bialgebras (up to isomorphism). (author) [fr

Patterns in the bubble-free Belousov-Zhabotinsky reaction dissolved in a microemulsion

Science.gov (United States)

Dähmlow, P.; Almeida, J.; Müller, S. C.

2016-12-01

A newly created system, namely a bubble-free Belousov-Zhabotinsky reaction embedded in a microemulsion is experimentally studied, with 1,4-cyclohexanedione used as substrate. Initially, this system shows oscillations or waves. After some minutes, waves do not form a refractory state in their wake, but the system remains excited. However, within this excited regime, a new wave emerges directly behind the initial one, causing an acceleration of the latter. The excited state lasts for several minutes. Subsequently, three different types of patterns emerge, depending on the initial chemical concentrations: wave turbulence, transient lines (TL) and an intermediate state. TL are neither Turing structures nor excitation waves. The intermediate state is a mixed pattern of TL and wave turbulence.

Study of the (p,px) reaction at 156 MeV on some light nuclei

International Nuclear Information System (INIS)

Bachelier, Daniel

1971-01-01

This research thesis reports the study of four quasi-elastic diffusion reactions of (p,px) type at 156 MeV: 6 Li(p,pd ) 4 He, 6 Li(p,pr) 3 H, 7 Li(p,pt) 4 He and 12 C(p,pd) 10 B. The objectives were to check the quasi-elastic character of these reactions and to describe them by pulse approximations with plane waves, to study their selection rules and to understand their angular correlations with respect to momentum distribution in the target nucleus of ejected substructures (clusters), to compare the probabilities of different configurations corresponding to different models, and, in the case of carbon, to compare the experimental energy spectrum with theoretical predictions. After a discussion of the theoretical expression of the cross-section of a quasi-elastic reaction, and a presentation of the different nuclear models which have been used for this reaction type, the author reports the study of the kinematics of these reactions by defining the conditions under which the knock-out mechanism is promoted. The author describes the beam, targets, detectors and electronic devices used for this study. He addresses the methods used to identify events and to analyse results. Experimental results are presented and compared with theoretical results and with other published experimental results

Constituent models and large transverse momentum reactions

International Nuclear Information System (INIS)

Brodsky, S.J.

1975-01-01

The discussion of constituent models and large transverse momentum reactions includes the structure of hard scattering models, dimensional counting rules for large transverse momentum reactions, dimensional counting and exclusive processes, the deuteron form factor, applications to inclusive reactions, predictions for meson and photon beams, the charge-cubed test for the e/sup +-/p → e/sup +-/γX asymmetry, the quasi-elastic peak in inclusive hadronic reactions, correlations, and the multiplicity bump at large transverse momentum. Also covered are the partition method for bound state calculations, proofs of dimensional counting, minimal neutralization and quark--quark scattering, the development of the constituent interchange model, and the A dependence of high transverse momentum reactions

Direct detection of pyridine formation by the reaction of CH (CD) with pyrrole: a ring expansion reaction

Energy Technology Data Exchange (ETDEWEB)

Soorkia, Satchin; Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Trevitt, Adam J.; Wilson, Kevin R.; Leone, Stephen R.

2010-03-16

The reaction of the ground state methylidyne radical CH (X2Pi) with pyrrole (C4H5N) has been studied in a slow flow tube reactor using Multiplexed Photoionization Mass Spectrometry coupled to quasi-continuous tunable VUV synchrotron radiation at room temperature (295 K) and 90 oC (363 K), at 4 Torr (533 Pa). Laser photolysis of bromoform (CHBr3) at 248 nm (KrF excimer laser) is used to produce CH radicals that are free to react with pyrrole molecules in the gaseous mixture. A signal at m/z = 79 (C5H5N) is identified as the product of the reaction and resolved from 79Br atoms, and the result is consistent with CH addition to pyrrole followed by Helimination. The Photoionization Efficiency curve unambiguously identifies m/z = 79 as pyridine. With deuterated methylidyne radicals (CD), the product mass peak is shifted by +1 mass unit, consistent with the formation of C5H4DN and identified as deuterated pyridine (dpyridine). Within detection limits, there is no evidence that the addition intermediate complex undergoes hydrogen scrambling. The results are consistent with a reaction mechanism that proceeds via the direct CH (CD) cycloaddition or insertion into the five-member pyrrole ring, giving rise to ring expansion, followed by H atom elimination from the nitrogen atom in the intermediate to form the resonance stabilized pyridine (d-pyridine) molecule. Implications to interstellar chemistry and planetary atmospheres, in particular Titan, as well as in gas-phase combustion processes, are discussed.

Hermitian self-dual quasi-abelian codes

Directory of Open Access Journals (Sweden)

Herbert S. Palines

2017-12-01

Full Text Available Quasi-abelian codes constitute an important class of linear codes containing theoretically and practically interesting codes such as quasi-cyclic codes, abelian codes, and cyclic codes. In particular, the sub-class consisting of 1-generator quasi-abelian codes contains large families of good codes. Based on the well-known decomposition of quasi-abelian codes, the characterization and enumeration of Hermitian self-dual quasi-abelian codes are given. In the case of 1-generator quasi-abelian codes, we offer necessary and sufficient conditions for such codes to be Hermitian self-dual and give a formula for the number of these codes. In the case where the underlying groups are some $p$-groups, the actual number of resulting Hermitian self-dual quasi-abelian codes are determined.

From melamine sponge towards 3D sulfur-doping carbon nitride as metal-free electrocatalysts for oxygen reduction reaction

Science.gov (United States)

Xu, Jingjing; Li, Bin; Li, Songmei; Liu, Jianhua

2017-07-01

Development of new and efficient metal-free electrocatalysts for replacing Pt to improve the sluggish kinetics of oxygen reduction reaction (ORR) is of great importance to emerging renewable energy technologies such as metal-air batteries and polymer electrolyte fuel cells. Herein, 3D sulfur-doping carbon nitride (S-CN) as a novel metal-free ORR electrocatalyst was synthesized by exploiting commercial melamine sponge as raw material. The sulfur atoms were doping on CN networks uniformly through numerous S-C bonds which can provide additional active sites. And it was found that the S-CN exhibited high catalytic activity for ORR in term of more positive onset potential, higher electron transfer number and higher cathodic density. This work provides a novel choice of metal-free ORR electrocatalysts and highlights the importance of sulfur-doping CN in metal-free ORR electrocatalysts.

The quasi-equilibrium response of MOS structures: Quasi-static factor

Science.gov (United States)

Okeke, M.; Balland, B.

1984-07-01

The dynamic response of a MOS structure driven into a non-equilibrium behaviour by a voltage ramp is presented. In contrast to Khun's quasi-static technique it is shown that any ramp-driven MOS structure has some degree of non-equilibrium. A quasi staticity factor μAK which serves as a measure of the degree of quasi-equilibrium, has been introduced for the first time. The mathematical model presented in the paper allows a better explanation of the experimental recordings. It is shown that this model could be used to analyse the various features of the response of the structure and that such physical parameters as the generation-rate, trap activation energy, and the effective capture constants could be obtained.

Quasi-periodic solutions of nonlinear beam equations with quintic quasi-periodic nonlinearities

Directory of Open Access Journals (Sweden)

Qiuju Tuo

2015-01-01

Full Text Available In this article, we consider the one-dimensional nonlinear beam equations with quasi-periodic quintic nonlinearities $$ u_{tt}+u_{xxxx}+(B+ \\varepsilon\\phi(tu^5=0 $$ under periodic boundary conditions, where B is a positive constant, $\\varepsilon$ is a small positive parameter, $\\phi(t$ is a real analytic quasi-periodic function in t with frequency vector $\\omega=(\\omega_1,\\omega_2,\\dots,\\omega_m$. It is proved that the above equation admits many quasi-periodic solutions by KAM theory and partial Birkhoff normal form.

Laser cooling of quasi-free atoms in a nondissipative optical lattice

International Nuclear Information System (INIS)

Matveeva, N. A.; Taichenachev, A. V.; Tumaikin, A. M.; Yudin, V. I.

2007-01-01

A quasi-classical theory of laser cooling is applied to the analysis of cooling of unbound atoms with the angular momenta 1/2 in the ground and excited states in a one-dimensional nondissipative optical lattice. In the low-saturation limit with respect to the pumping field, the mechanisms of cooling can be interpreted within the framework of an effective two-level system of ground-state sublevels. In the limit of weak Raman transitions, the mechanism of cooling of unbound atoms is similar to the Doppler mechanism known in the theory of a two-level atom; in the limit of strong transitions, the mechanism of cooling is analogous to the well-known Sisyphys mechanism. In the slow-atom approximation, analytical expressions are obtained for the friction (drag) coefficient and the induced and spontaneous diffusion, and the kinetic temperature is estimated

Spin-Polarization in Quasi-Magnetic Tunnel Junctions

Science.gov (United States)

Xie, Zheng-Wei; Li, Ling

2017-05-01

Spin polarization in ferromagnetic metal/insulator/spin-filter barrier/nonmagnetic metal, referred to as quasi-magnetic tunnel junctions, is studied within the free-electron model. Our results show that large positive or negative spin-polarization can be obtained at high bias in quasi-magnetic tunnel junctions, and within large bias variation regions, the degree of spin-polarization can be linearly tuned by bias. These linear variation regions of spin-polarization with bias are influenced by the barrier thicknesses, barrier heights and molecular fields in the spin-filter (SF) layer. Among them, the variations of thickness and heights of the insulating and SF barrier layers have influence on the value of spin-polarization and the linear variation regions of spin-polarization with bias. However, the variations of molecular field in the SF layer only have influence on the values of the spin-polarization and the influences on the linear variation regions of spin-polarization with bias are slight. Supported by the Key Natural Science Fund of Sichuan Province Education Department under Grant Nos 13ZA0149 and 16ZA0047, and the Construction Plan for Scientific Research Innovation Team of Universities in Sichuan Province under Grant No 12TD008.

Kinetics of Hydrogen Abstraction and Addition Reactions of 3-Hexene by ȮH Radicals.

Science.gov (United States)

Yang, Feiyu; Deng, Fuquan; Pan, Youshun; Zhang, Yingjia; Tang, Chenglong; Huang, Zuohua

2017-03-09

Rate coefficients of H atom abstraction and H atom addition reactions of 3-hexene by the hydroxyl radicals were determined using both conventional transition-state theory and canonical variational transition-state theory, with the potential energy surface (PES) evaluated at the CCSD(T)/CBS//BHandHLYP/6-311G(d,p) level and quantum mechanical effect corrected by the compounded methods including one-dimensional Wigner method, multidimensional zero-curvature tunneling method, and small-curvature tunneling method. Results reveal that accounting for approximate 70% of the overall H atom abstractions occur in the allylic site via both direct and indirect channels. The indirect channel containing two van der Waals prereactive complexes exhibits two times larger rate coefficient relative to the direct one. The OH addition reaction also contains two van der Waals complexes, and its submerged barrier results in a negative temperature coefficient behavior at low temperatures. In contrast, The OH addition pathway dominates only at temperatures below 450 K whereas the H atom abstraction reactions dominate overwhelmingly at temperature over 1000 K. All of the rate coefficients calculated with an uncertainty of a factor of 5 were fitted in a quasi-Arrhenius formula. Analyses on the PES, minimum reaction path and activation free Gibbs energy were also performed in this study.

{sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

Energy Technology Data Exchange (ETDEWEB)

Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Universita degli Studi di Enna Kore, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Cyclotron Institute Texas A and M University - College Station, Texas (United States); Excellence Cluster Universe - Technische Universitaet Muenchen, Garching, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie Darmstadt (Germany); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); School of Physics and Astronomy - University of Edinburgh, SUPA (United Kingdom); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy)

2012-11-20

The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Towards filament free semiconductor lasers

DEFF Research Database (Denmark)

McInerney, John; O'Brien, Peter; Skovgaard, Peter M. W.

2000-01-01

We outline physical models and simulations for suppression of self-focusing and filamentation in large aperture semiconductor lasers. The principal technical objective is to generate multi-watt CW or quasi-CW outputs with nearly diffraction limited beams, suitable for long distance free space...... propagation structures in lasers and amplifiers which suppress lateral reflections....

Quasi-linear analysis of water flow in the unsaturated zone at Yucca Mountain, Nevada, USA

International Nuclear Information System (INIS)

Ross, B.

1990-01-01

Philip's method of quasi-linear approximation, applied to the fractured welded tuffs at Yucca Mountain, Nevada, USA, yields simple relations describing groundwater movement in the unsaturated zone. These relations suggest that water flux through the Topopah Spring welded tuff unit, in which a proposed high-level radioactive waste repository would be built, may be fixed at a value close to the saturated hydraulic conductivity of the unit's porous matrix by a capillary barrier at the unit's upper contact. Quasi-linear methods may also be useful for predicting whether free water will enter tunnels excavated in the tuff

The role of the dinuclear system in the processes of nuclear fusion, quasi-fission, fission and cluster formation

International Nuclear Information System (INIS)

Volkov, V.V.

1999-01-01

The nuclear fusion, quasi-fission, fission and cluster formation in an excited nucleus are considered as the processes of the formation and evolution of the dinuclear system. This approach allows one to reveal new aspects of nuclear fusion, to show that quasi-fission plays an important role in nuclear reactions used to synthesise superheavy elements. A qualitative picture is given of the fission process of an excited nucleus and an important role of cluster formation in this process is shown

Bare nucleus S(E) factor of the 2H(d,p)3H and 2H(d,n)3He reactions via the Trojan Horse Method

International Nuclear Information System (INIS)

Tumino, A; Spitaleri, C; Kiss, G G; Cognata, M La; Lamia, L; Pizzone, R G; Rapisarda, G G; Romano, S; Sergi, M L; Spartà, R; Mukhamedzhanov, A M; Typel, S; Aliotta, M; Burjan, V; Kroha, V; Hons, Z; Mrazek, J; Piskor, S; Santo, M Gimenez del

2012-01-01

The Trojan Horse Method was applied for the first time to the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by measuring the 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes in quasi free kinematics. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Influence of interface reactions on the YBCO films grown by fluorine-free solution route

DEFF Research Database (Denmark)

Zhao, Yue; Wu, Wei; Tang, Xiao

2015-01-01

Fabrication of full-stacked coated conductors by all-chemical-solution routes exhibit a great potential in view of further reducing the cost and increasing the throughput for industrialization. Growth of YBa2Cu3O7−x (YBCO) superconducting films by fluorine-free metal organic deposition routes (FF......-MOD) which are environmental friendly has attracted more attentions recently. In this work, comparison study was performed on the YBCO-Ag superconducting thin films deposited on two types of single crystal substrates, LaAlO3 and Ce0.9La0.9O2−y/YSZ. The structural characterization and superconducting...... properties studies reveal that the interface reactions between the YBCO-Ag film and the CLO cap layer play an essential role on the nucleation and growth of YBCO-Ag films from the FF solution. Weak texture caused by serious interface reactions at high growth temperature is the main explanations for the poor...

Quasi-perpendicular/quasi-parallel divisions of Earth's bow shock

International Nuclear Information System (INIS)

Greenstadt, E.W.

1991-01-01

Computer-drawn diagrams of the boundaries between quasi-perpendicular and quasi-parallel areas of Earth's bow shock are displayed for a few selected cone angles of static interplanetary magnetic field (IMF). The effect on the boundary of variable IMF in the foreshock is also discussed and shown for one nominal case. The boundaries demand caution in applying them to the realistic, dynamic conditions of the solar wind and in interpreting the effects of small cone angles on the distributions of structures at the shock. However, the calculated, first-order boundaries are helpful in defining areas of the shock where contributions from active structures inherent in quasi-parallel geometry may be distinguishable from those derived secondarily from upstream reflected ion dynamics. The boundaries are also compatible with known behavior of daytime ULF geomagnetic waves and pulsations according to models postulating that cone angle-controlled, time-dependent ULF activity around the subsolar point of the bow shock provides the source of geomagnetic excitation

Differential cross-sections of a double spin-flip In d + d reactions and supermultiplet potential model of the interaction of clusters

CERN Document Server

Lebedev, V M; Struzhko, B G

2002-01-01

The experimental two-dimensional proton-proton coincidence spectra of the four-particle reaction d + d -> p + p + n + n are simulated with regard to dominant quasi-binary processes, viz. a quasi-free scattering of protons and final-state interaction of nucleons. Differential cross-sections d sigma (nu,E)/d OMEGA of a deuteron charge exchange sup 2 H(d, sup 2 n) sup 2 p reaction (0,57 +- 0.03 mb/sr at THETA sub c sub m 62,5 degree, 1,01 +- 0,05 mb /sr at THETA sub c sub m = 79,6 degree, E sub c sub m = 11,6 MeV) and spin-isospin flip sup 2 H(d,d sup *)d sup * one (1,1 +- 0,3 mb /sr at THETA sub c sub m = 90 degree E sub c sub m 23,4 MeV) are defined. They are compared to the cross-sections calculated in the approach of generalized (supermultiplet) potential model where the problem of the interaction of clusters A and B can be reduced to a set of one-channel scattering problems with potentials V sup [ f], where [f] are the allowed Young schemes for the system A + B. This is important for channels with minimum t...

Reaction kinetics of free fatty acids esterification in palm fatty acid distillate using coconut shell biochar sulfonated catalyst

Science.gov (United States)

Hidayat, Arif; Rochmadi, Wijaya, Karna; Budiman, Arief

2015-12-01

Recently, a new strategy of preparing novel carbon-based solid acids has been developed. In this research, the esterification reactions of Palm Fatty Acid Distillate (PFAD) with methanol, using coconut shell biochar sulfonated catalyst from biomass wastes as catalyst, were studied. In this study, the coconut shell biochar sulfonated catalysts were synthesized by sulfonating the coconut shell biochar using concentrated H2SO4. The kinetics of free fatty acid (FFA) esterification in PFAD using a coconut shell biochar sulfonated catalyst was also studied. The effects of the mass ratio of catalyst to oil (1-10%), the molar ratio of methanol to oil (6:1-12:1), and the reaction temperature (40-60°C) were studied for the conversion of PFAD to optimize the reaction conditions. The results showed that the optimal conditions were an methanol to PFAD molar ratio of 12:1, the amount of catalyst of 10%w, and reaction temperature of 60°C. The proposed kinetic model shows a reversible second order reaction and represents all the experimental data satisfactorily, providing deeper insight into the kinetics of the reaction.

Thermodynamics of quasi-topological cosmology

International Nuclear Information System (INIS)

Dehghani, M.H.; Sheykhi, A.; Dehghani, R.

2013-01-01

In this Letter, we study thermodynamical properties of the apparent horizon in a universe governed by quasi-topological gravity. Our aim is twofold. First, by using the variational method we derive the general form of Friedmann equation in quasi-topological gravity. Then, by applying the first law of thermodynamics on the apparent horizon, after using the entropy expression associated with the black hole horizon in quasi-topological gravity, and replacing the horizon radius, r + , with the apparent horizon radius, r -tilde A , we derive the corresponding Friedmann equation in quasi-topological gravity. We find that these two different approaches yield the same result which shows the profound connection between the first law of thermodynamics and the gravitational field equations of quasi-topological gravity. We also study the validity of the generalized second law of thermodynamics in quasi-topological cosmology. We find that, with the assumption of the local equilibrium hypothesis, the generalized second law of thermodynamics is fulfilled for the universe enveloped by the apparent horizon for the late time cosmology

Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution.

Science.gov (United States)

Takenaka, Norio; Kitamura, Yukichi; Nagaoka, Masataka

2016-03-03

In solution chemical reaction, we often need to consider a multidimensional free energy (FE) surface (FES) which is analogous to a Born-Oppenheimer potential energy surface. To survey the FES, an efficient computational research protocol is proposed within the QM/MM framework; (i) we first obtain some stable states (or transition states) involved by optimizing their structures on the FES, in a stepwise fashion, finally using the free energy gradient (FEG) method, and then (ii) we directly obtain the FE differences among any arbitrary states on the FES, efficiently by employing the QM/MM method with energy representation (ER), i.e., the QM/MM-ER method. To validate the calculation accuracy and efficiency, we applied the above FEG-ER methodology to a typical isomerization reaction of glycine in aqueous solution, and reproduced quite satisfactorily the experimental value of the reaction FE. Further, it was found that the structural relaxation of the solute in the QM/MM force field is not negligible to estimate correctly the FES. We believe that the present research protocol should become prevailing as one computational strategy and will play promising and important roles in solution chemistry toward solution reaction ergodography.

Kinetics of several oxygenated carbon-centered free radical reactions with NO2.

Science.gov (United States)

Rissanen, Matti P; Arppe, Suula L; Timonen, Raimo S

2013-05-16

Five oxygenated carbon-centered free radical reactions with nitrogen dioxide (NO2) have been studied in direct time-resolved measurements. Experiments were conducted in a temperature-controlled flow tube reactor coupled to a 193 nm exciplex laser photolysis and a resonance gas lamp photoionization mass spectrometer. Reactions were investigated under pseudofirst-order conditions, with the NO2 concentrations of the experiments in great excess over the initial radical concentrations ([R]0 CH3CO radical reactions with NO2 and, hence, includes the three smallest hydroxyalkyl radical species (CH2OH, CH2CH2OH, and CH3CHOH). The obtained rate coefficients are high with the temperature-dependent rate coefficients given by a formula k(T) = k300K × (T/300 K)(-n) as (in units of cm(3) molecule(-1) s(-1)): k(CH2OH + NO2) = (8.95 ± 2.70) × 10(-11) × (T/300 K)(-0.54±0.27) (T = 298-363 K), k(CH2CH2OH + NO2) = (5.99 ± 1.80) × 10(-11) × (T/300 K)(-1.49±0.45)(T = 241-363 K), k(CH3CHOH + NO2) = (7.48 ± 2.24) × 10(-11) × (T/300 K)(-1.36±0.41) (T = 266-363 K), k(CH3OCH2 + NO2) = (7.85 ± 2.36) × 10(-11) × (T/300 K)(-0.93±0.28) (T = 243-363 K), and k(CH3CO + NO2) = (2.87 ± 0.57) × 10(-11) × (T/300 K)(-2.45±0.49) (T = 241-363 K), where the uncertainties refer to the estimated overall uncertainties of the values obtained. The determined rate coefficients show negative temperature dependence with no apparent bath gas pressure dependence under the current experimental conditions (241-363 K and about 1-3 Torr helium). This behavior is typical for a radical-radical addition mechanism with no potential energy barrier above the energy of the separated reactants in the entrance channel of the reaction. Unfortunately the absence of detected product signals prevented gaining deeper insight into the reaction mechanism.

Studies on Pd/NiFe2O4 catalyzed ligand-free Suzuki reaction in aqueous phase: synthesis of biaryls, terphenyls and polyaryls

Directory of Open Access Journals (Sweden)

Suresh B. Waghmode

2011-03-01

Full Text Available Palladium supported on nickel ferrite (Pd/NiF2O4 was found to be a highly active catalyst for the Suzuki coupling reaction between various aryl halides and arylboronic acids. The reaction gave excellent yields (70–98% under ligand free conditions in a 1:1 DMF/H2O solvent mixture, in short reaction times (10–60 min. The catalyst could be recovered easily by applying an external magnetic field. The polyaryls were similarly synthesized.

Quasi-experimental study designs series-paper 13: realizing the full potential of quasi-experiments for health research.

Science.gov (United States)

Rockers, Peter C; Tugwell, Peter; Røttingen, John-Arne; Bärnighausen, Till

2017-09-01

Although the number of quasi-experiments conducted by health researchers has increased in recent years, there clearly remains unrealized potential for using these methods for causal evaluation of health policies and programs globally. This article proposes five prescriptions for capturing the full value of quasi-experiments for health research. First, new funding opportunities targeting proposals that use quasi-experimental methods should be made available to a broad pool of health researchers. Second, administrative data from health programs, often amenable to quasi-experimental analysis, should be made more accessible to researchers. Third, training in quasi-experimental methods should be integrated into existing health science graduate programs to increase global capacity to use these methods. Fourth, clear guidelines for primary research and synthesis of evidence from quasi-experiments should be developed. Fifth, strategic investments should be made to continue to develop new innovations in quasi-experimental methodologies. Tremendous opportunities exist to expand the use of quasi-experimental methods to increase our understanding of which health programs and policies work and which do not. Health researchers should continue to expand their commitment to rigorous causal evaluation with quasi-experimental methods, and international institutions should increase their support for these efforts. Copyright © 2017 Elsevier Inc. All rights reserved.

Dynamic of fission and quasi-fission revealed by pre-scission neutron evaporation

International Nuclear Information System (INIS)

Hinde, D.J.

1991-06-01

The dependence of pre-scission neutron multiplicities (ν-pre) on the mass-split and total kinetic energy (TKE) in fusion-fission and quasi-fission has been measured for a wide range of projectile-target combinations. the data indicate that the fusion-fission time scale is shorter for asymmetric splits than for symmetric splits, whilst there is no dependence on TKE. For quasi-fission reactions induced using 64 Ni projectiles, ν-pre falls rapidly with increasing TKE, indicating that these neutrons are emitted near to or after scission. A new interpretation of both neutron multiplicities and mean energies (the neutron clock-thermometer) allows the extraction of time scales with much less uncertainty than previously, and also gives information about the deformation from which the neutrons are emitted. 15 refs., 13 figs

Table of members of quasi-bands

International Nuclear Information System (INIS)

Sakai, Mitsuo.

1984-04-01

The probable members of the quasi-bands in even-even nuclei for Z between 6 and 100 are listed in this table. The terms quasi-bands have been introduced in the so-called spherical regions as the counter parts of the collective bands in the deformed regions. In the present compilation, the data for deformed nuclei are classified for convenience under the same titles, Quasi-Ground Band, Quasi-Beta Band and Quasi-Gamma Band, as are used for other nuclear regions. The present edition covers the literature through September, 1983. Fifteen newly discovered nuclides are included. The classification of energy level into quasi-bands is made on the basis of the systematic trend in the data over large groups of nuclei. (Kato, T.)

Free radicals in health and disease

International Nuclear Information System (INIS)

Gonet, B.

1993-01-01

Free radicals appear in the cells as the result of exogenic factors (ionizing radiation, UV) or reactions naturally occurring in the cell. Free radical reactions may cause destruction of macromolecules (DNA, lipids, proteins). Free radical pathology is important in many diseases and aging processes in organisms

Quasi-gas dynamic equations

CERN Document Server

Elizarova, Tatiana G

2009-01-01

This book presents two interconnected mathematical models generalizing the Navier-Stokes system. The models, called the quasi-gas-dynamic and quasi-hydrodynamic equations, are then used as the basis of numerical methods solving gas- and fluid-dynamic problems.

The study of quasi-projectiles produced in Ni+Ni and Ni+Au collisions: excitation energy and spin; Etude des quasi-projectiles produits dans les collisions Ni+Ni et Ni+Au: energie d'excitation et spin

Energy Technology Data Exchange (ETDEWEB)

Buta, A

2003-02-01

During the collision between the projectile and the target nuclei in the intermediate energy regime (E < 100 MeV/nucleon) two excited nuclei are mainly observed in the exit channel, the quasi projectile (QP) and the quasi target. They disintegrate by particle emission. However, this binary picture is perturbed by the emission of particles and light fragments with velocities intermediate between the projectile velocity and the target one, all along the interaction (midrapidity component). This work aim to determine the excitation energy and the intrinsic angular momentum (or spin) of quasi-projectiles produced in the Ni+Ni and Ni+Au collisions at 52 and 90 MeV/nucleon. The excitation energy is deduced from the kinematical characteristics of particles emitted by the quasi-projectile. They have to be separated from midrapidity particles. Three different scenarios have been used for this purpose. The spin of the quasi-projectile has been extracted from the experimental data by mean of proton and alpha particles multiplicities emitted by the QP in the Ni+Au at 52 MeV/nucleon reaction. The results have been compared to the predictions of a theoretical model based on nucleon transfers. Their evolution is qualitatively reproduced as a function of the violence of the collision. (author)

Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

Science.gov (United States)

Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

2018-06-21

The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

Study on the mechanism of the 3He+p→p+p+d reaction at 3He momentum of 5 GeV/c

International Nuclear Information System (INIS)

Blinov, A.V.; Chuvilo, I.V.; Drobot, V.V.

1985-01-01

The mechanism of the reaction 3 He+p → p+p+d is studied making use of the ITEP 80-cm liquid-hydrogen bubble chamber exposed to the beam of 5 GeV/c 3 He nuclei. The reaction cross sections is equal to 20.6+-0.3 mb. The phase space regions associated with quasi-free scattering (QFS) and final state interaction (FSI) are selected. Angular, mass and momentum distributions of the reaction products are obtained in the entire kinematically allowed range. The experimental data in the QFS region are compared with theoretical calculations based on the simplest pole diagram approximation. The 3 He and deuteron wave functions (WF) correspond to the realistic Reid potential. The D-wave components of these WF are taken into account. The absolute value of the cross section and shape of the distributions are described as a whole reasonably enough in the frame of the considered model in the kinematical region where FSI may be neglected

The fluorine destruction in stars: First experimental study of the {sup 19}F(p,{alpha}){sup 16}O reaction at astrophysical energies

Energy Technology Data Exchange (ETDEWEB)

La Cognata, M.; Mukhamedzhanov, A.; Spitaleri, C.; Indelicato, I.; Aliotta, M.; Burjan, V.; Cherubini, S.; Coc, A.; Gulino, M.; Hons, Z.; Kiss, G. G.; Kroha, V.; Lamia, L.; Mrazek, J.; Palmerini, S.; Piskor, S.; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S. [INFN-LNS, Catania (Italy); Cyclotron Institute, Texas A and M University, College Station, Texas (United States); University of Catania and INFN-LNS, Catania (Italy); and others

2012-11-12

The {sup 19}F(p,{alpha}){sup 16}O reaction is an important fluorine destruction channel in the proton-rich outer layers of asymptotic giant branch (AGB) stars and it might also play a role in hydrogendeficient post-AGB star nucleosynthesis. So far, available direct measurements do not reach the energy region of astrophysical interest (E{sub cm}{approx} 300 keV), because of the hindrance effect of the Coulomb barrier. The Trojan Horse (TH) method was thus used to access this energy region, by extracting the quasi-free contribution to the {sup 2}H({sup 19}F,{alpha}{sup 16}O)n reaction. The TH measurement of the {alpha}{sub 0} channel, which is the dominant one at such energies, shows the presence of resonant structures not observed before that cause an increase of the reaction rate at astrophysical temperatures up to a factor of 1.7, with potential important consequences for stellar nucleosynthesis.

The influence of the charge-exchange reactions of carbon in the photoionization models for spectrum-line emitting region in the quasi-stellar objects

International Nuclear Information System (INIS)

Souza Pellegrini, P.S. de.

1976-08-01

The charge exchange reactions: C +2 + H sub(e) 0 → H +1 + C +1 and C +2 + H 0 → H +1 + C +1 were taken into account in the ionization equilibrium of Carbon in photoionization models for line emitting regions of quasi-stellar objects. The new ionization structure of Carbon was obtained and the intensities of the most important emission lines of this element usually observed in QSO's with large redshifts were calculated. The charge exchange with Hidrogen produces negligible effects while the importance of taking into account the charge exchange with Helium can be seen from the change of the ionization structure of Carbon in all considered models. The homogeneous optically thin model is shown not to be consistent with the observations. For non homogeneous optically thick models observable changes in line intensities occur when in the region where charge exhange is dominant the electron density is high enough to produce collisional excitation and consequent line emission. (Author)

Study of the quasi-free scattering at the reaction 2H(p,2p)n at Esub(p)0 = 14.1 MeV

International Nuclear Information System (INIS)

Helten, H.J.

1980-01-01

The breakup reaction 2 H(p,2p)n was studied at Ep = 14.1 MeV in complete coincidence experiments on quasifree pp scattering in a systematic range of cinematic situations of the pp-subsystem for c.m. production angles between 90 0 and 140 0 and different violation of the quasifree condition as well on interferences with final-state interaction processes. The absolute differential breakup cross section was compared with approximate solutions of the Faddeev equations with separable s-wave potentials without explicite Coulomb interaction according to Ebenhoeh. The agreement is generally good referring to the form of the spectra, but the theoretical amplitude is in the mean 20% to high. The permanent independence of the quasifree breakup from the scattering parameter asub(pp) doesn't suggest to use this process for the determination of nn-scattering lengths from the mirror reaction 2 H(n,2n)p. (orig.)

Weak transitions in the quasi-elastic reaction 12C(e,e'p)11B

International Nuclear Information System (INIS)

Steenhoven, G. van der; Blok, H.P.; Vrije Univ., Amsterdam; Jans, E.; Lapikas, L.; Quint, E.N.M.; Witt Huberts, P.K.A. de

1988-01-01

In a high-resolution quasi-elastic 12 C(e,e'p) 11 B experiment several weak transitions have been observed to excited final states with spin and parity characteristic of direct knockout from orbitals above the 1p shell. The momentum distributions, which have been measured in parallel kinematics at an outgoing-proton energy of 70 MeV in the range of missing momentum - 170 ≤ p m ≤ 210 MeV/c, show the shape expected for a single-step knockout process. It is demonstrated that the interference between a direct-knockout process and a two-step process leading to the same final state in the (e,e'p) reaction may cause important modifications of the deduced spectroscopic factors. Explicit coupled-channels (CC) calculations show that the spectroscopic factor for the transition to the 7 - /2 state at 6.743 MeV is reduced by a factor of 6, whereas the spectroscopic factors of the other weak transitions observed in the present experiment are uncertain by a factor of 2 due to CC-effects. Since the strength of these transitions is larger than can be explained by a pure two-step process, we interpret the observation of these transitions as direct evidence for the existence of ground-state correlations in 12 C. The total spectroscopic strength in the E x region between 6 and 12 MeV amounts to 0.1, or 4.1% of the observed strength for 1p knockout in the low E x region. Two peaks have been identified in the missing-energy spectrum that hitherto have not been reported: A narrow peak at E x =9.82 (3) MeV with an l=0 character and a broad structure centered at about 11.5 MeV with an l=1 character. The missing-energy spectrum between E x =12 and 24 MeV corresponding to 1s 1/2 knockout has also been analyzed. The deduced momentum distribution shows evidence for the onset of a two-nucleon mechanism beyond the two-particle emission threshold. (orig.)

Going Tobacco-Free: Predictors of Clinician Reactions and Outcomes of the NY State OASAS Tobacco-Free Regulation

Science.gov (United States)

de Tormes Eby, Lillian Turner; George, Kerrin; Brown, B. Lindsay

2012-01-01

In an effort to reduce patient tobacco dependence and create healthier work environments, New York State (NYS) mandated 100% tobacco-free addiction treatment programs for state funded or certified facilities in 2008. We present the results of a longitudinal study examining how local implementation features shape clinician reactions to the regulation and influence post-regulation clinician behavior and strain. A cohort of 147 clinicians associated with 13 treatment organizations throughout NYS completed a survey prior to the passage of the regulation and again approximately 1 year post-regulation. Findings reveal that local implementation features of clinician participation in the planning for change, the provision of change-related information, and perceived organizational support predicted perceptions of change management fairness, which in turn predicted clinical practice behaviors to support smoking cessation, as well as psychological and behavioral strain. In contrast, self-efficacy for change was neither related to local implementation or clinician outcomes. Practical implications are discussed. PMID:22959978

Central Limit Theorem for Exponentially Quasi-local Statistics of Spin Models on Cayley Graphs

Science.gov (United States)

Reddy, Tulasi Ram; Vadlamani, Sreekar; Yogeshwaran, D.

2018-04-01

Central limit theorems for linear statistics of lattice random fields (including spin models) are usually proven under suitable mixing conditions or quasi-associativity. Many interesting examples of spin models do not satisfy mixing conditions, and on the other hand, it does not seem easy to show central limit theorem for local statistics via quasi-associativity. In this work, we prove general central limit theorems for local statistics and exponentially quasi-local statistics of spin models on discrete Cayley graphs with polynomial growth. Further, we supplement these results by proving similar central limit theorems for random fields on discrete Cayley graphs taking values in a countable space, but under the stronger assumptions of α -mixing (for local statistics) and exponential α -mixing (for exponentially quasi-local statistics). All our central limit theorems assume a suitable variance lower bound like many others in the literature. We illustrate our general central limit theorem with specific examples of lattice spin models and statistics arising in computational topology, statistical physics and random networks. Examples of clustering spin models include quasi-associated spin models with fast decaying covariances like the off-critical Ising model, level sets of Gaussian random fields with fast decaying covariances like the massive Gaussian free field and determinantal point processes with fast decaying kernels. Examples of local statistics include intrinsic volumes, face counts, component counts of random cubical complexes while exponentially quasi-local statistics include nearest neighbour distances in spin models and Betti numbers of sub-critical random cubical complexes.

Quasi interpolation with Voronoi splines.

Science.gov (United States)

Mirzargar, Mahsa; Entezari, Alireza

2011-12-01

We present a quasi interpolation framework that attains the optimal approximation-order of Voronoi splines for reconstruction of volumetric data sampled on general lattices. The quasi interpolation framework of Voronoi splines provides an unbiased reconstruction method across various lattices. Therefore this framework allows us to analyze and contrast the sampling-theoretic performance of general lattices, using signal reconstruction, in an unbiased manner. Our quasi interpolation methodology is implemented as an efficient FIR filter that can be applied online or as a preprocessing step. We present visual and numerical experiments that demonstrate the improved accuracy of reconstruction across lattices, using the quasi interpolation framework. © 2011 IEEE

Monostable traveling waves for a time-periodic and delayed nonlocal reaction-diffusion equation

Science.gov (United States)

Li, Panxiao; Wu, Shi-Liang

2018-04-01

This paper is concerned with a time-periodic and delayed nonlocal reaction-diffusion population model with monostable nonlinearity. Under quasi-monotone or non-quasi-monotone assumptions, it is known that there exists a critical wave speed c_*>0 such that a periodic traveling wave exists if and only if the wave speed is above c_*. In this paper, we first prove the uniqueness of non-critical periodic traveling waves regardless of whether the model is quasi-monotone or not. Further, in the quasi-monotone case, we establish the exponential stability of non-critical periodic traveling fronts. Finally, we illustrate the main results by discussing two types of death and birth functions arising from population biology.

M-quasi-hyponormal composition operators

Directory of Open Access Journals (Sweden)

Pushpa R. Suri

1987-01-01

Full Text Available A necessary and sufficient condition is obtained for M-quasi-hyponormal composition operators. It has also been proved that the class of M-quasi-hyponormal composition operators coincides with the class of M-paranormal composition operators. Existence of M-hyponormal composition operators which are not hyponormal; and M-quasihyponormal composition operators which are not M-hyponormal and quasi-hyponormal are also shown.

Reaction between peroxynitrite and boronates: EPR spin-trapping, HPLC analyses, and quantum mechanical study of the free radical pathway

Science.gov (United States)

Sikora, Adam; Zielonka, Jacek; Lopez, Marcos; Dybala-Defratyka, Agnieszka; Joseph, Joy; Marcinek, Andrzej; Kalyanaraman, Balaraman

2013-01-01

Recently we showed that peroxynitrite (ONOO−) reacts directly and rapidly with aromatic and aliphatic boronic acids (k ≈ 106 M−1s−1). Product analyses and substrate consumption data indicated that ONOO− reacts stoichiometrically with boronates, yielding the corresponding phenols as the major product (~85–90%), and the remaining products (10–15%) were proposed to originate from free radical intermediates (phenyl and phenoxyl radicals). Here we investigated in detail the minor, free radical pathway of boronate reaction with ONOO−. The electron paramagnetic resonance (EPR) spin-trapping technique was used to characterize the free radical intermediates formed from the reaction between boronates and ONOO−. Using 2-methyl-2-nitrosopropane (MNP) and 5-diethoxyphosphoryl-5-methyl-1-pyrroline-N-oxide (DEPMPO) spin traps, phenyl radicals were trapped and detected. Although phenoxyl radicals were not detected, the positive effects of molecular oxygen, and inhibitory effects of hydrogen atom donors (acetonitrile, and 2-propanol) and general radical scavengers (GSH, NADH, ascorbic acid and tyrosine) on the formation of phenoxyl radical-derived nitrated product, suggest that phenoxyl radical was formed as the secondary species. We propose that the initial step of the reaction involves the addition of ONOO− to the boron atom in boronates. The anionic intermediate undergoes both heterolytic (major pathway) and homolytic (minor pathway) cleavage of the peroxy (O-O) bond to form phenol and nitrite as a major product (via a non-radical mechanism), or a radical pair PhB(OH)2O•−…•NO2 as a minor product. It is conceivable that phenyl radicals are formed by the fragmentation of PhB(OH)2O•− radical anion. According to the DFT quantum mechanical calculations, the energy barrier for the dissociation of PhB(OH)2O•− radical anion to form phenyl radicals is only a few kcal/mol, suggesting rapid and spontaneous fragmentation of PhB(OH)2O•− radical anion

A simplified multi-particle model for lithium ion batteries via a predictor-corrector strategy and quasi-linearization

International Nuclear Information System (INIS)

Li, Xiaoyu; Fan, Guodong; Rizzoni, Giorgio; Canova, Marcello; Zhu, Chunbo; Wei, Guo

2016-01-01

The design of a simplified yet accurate physics-based battery model enables researchers to accelerate the processes of the battery design, aging analysis and remaining useful life prediction. In order to reduce the computational complexity of the Pseudo Two-Dimensional mathematical model without sacrificing the accuracy, this paper proposes a simplified multi-particle model via a predictor-corrector strategy and quasi-linearization. In this model, a predictor-corrector strategy is used for updating two internal states, especially used for solving the electrolyte concentration approximation to reduce the computational complexity and reserve a high accuracy of the approximation. Quasi-linearization is applied to the approximations of the Butler-Volmer kinetics equation and the pore wall flux distribution to predict the non-uniform electrochemical reaction effects without using any nonlinear iterative solver. Simulation and experimental results show that the isothermal model and the model coupled with thermal behavior are greatly improve the computational efficiency with almost no loss of accuracy. - Highlights: • A simplified multi-particle model with high accuracy and computation efficiency is proposed. • The electrolyte concentration is solved based on a predictor-corrector strategy. • The non-uniform electrochemical reaction is solved based on quasi-linearization. • The model is verified by simulations and experiments at various operating conditions.

Analysis of the incompressible Navier-Stokes equations with a quasi free-surface condition

NARCIS (Netherlands)

E.H. van Brummelen (Harald)

1999-01-01

textabstractNumerical solution of free-surface flows with a free-surface that can be represented by a height-function, is of great practical importance. Dedicated methods have been developed for the efficient solution of steady free-surface potential flow. These methods solve a sequence of

Proton-gamma coincidence experiment on medium mass nuclei at 400MeV and study of reaction mechanisms

International Nuclear Information System (INIS)

Baldit, Alain.

1981-01-01

Previous γ ray production experiments produced by proton on nuclei show important cross sections for residual nuclei corresponding to a four nucleon (2p + 2n) removal. With our (p - γ) coincidence experiment the forward emitted proton reflects the primary interaction and the γ spectra characterizes the final state of the reaction. Protons are detected with a magnetic spectrometer and γ rays are selected with a Ge(Li) diode. Angular and momentum analysis of scattered protons demonstrate a primary quasi free process on nucleons. No indication of knock out reactions on clusters has been seen. The residual nuclei are mainly produced by evaporation processes. A theoretical calculation involving intranuclear cascades and evaporation processes has been performed. The nucleus model is based upon a Fermi gas and nuclear density agrees with diffusion electron experiments. Residual nuclei far from target are well described with a such model. Residual nuclei near the target are sensitive to the nuclear structure [fr

Analysis of reaction schemes using maximum rates of constituent steps

Science.gov (United States)

Motagamwala, Ali Hussain; Dumesic, James A.

2016-01-01

We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. This approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps. PMID:27162366

Plasma fluctuations and confinement of fusion reaction products

International Nuclear Information System (INIS)

Coppi, B.; Pegoraro, F.

1981-01-01

The interaction between the fluctuations that can be excited in a magnetically confined plasma and the high-energy-particle population produced by fusion reactions is analyzed in view of its relevance to the process of thermonuclear ignition. The spectrum of the perturbations that, in the absence of fusion reaction products, would be described by the incompressible ideal magnetohydrodynamic approximation is studied considering finite value of the plasma pressure relative ot the magnetic pressure. The combined effects of the magnetic field curvature and shear are taken into account and the relevant spectrum is shown to consist of a continuous portion, that could be identified as a mixture of shear-Alfven and interchange oscillations, and a discrete unstable part corresponding to the so-called ballooning modes. The rate of diffusion of the fusion reaction products induced by oscillations in the continuous part of the spectrum, as estimated from the appropriate quasi-linear theory, is found to be significantly smaller than could be expected if normal modes (i.e., nonconvective solutions) were excited. However, a relatively wide intermediate region is identified where opalescent fluctuations, capable of achieving significant amplitudes and corresponding to a quasi-discrete spectrum, can be excited

Calculation of total free energy yield as an alternative approach for predicting the importance of potential chemolithotrophic reactions in geothermal springs.

Science.gov (United States)

Dodsworth, Jeremy A; McDonald, Austin I; Hedlund, Brian P

2012-08-01

To inform hypotheses regarding the relative importance of chemolithotrophic metabolisms in geothermal environments, we calculated free energy yields of 26 chemical reactions potentially supporting chemolithotrophy in two US Great Basin hot springs, taking into account the effects of changing reactant and product activities on the Gibbs free energy as each reaction progressed. Results ranged from 1.2 × 10(-5) to 3.6 J kg(-1) spring water, or 3.7 × 10(-5) to 11.5 J s(-1) based on measured flow rates, with aerobic oxidation of CH(4) or NH4 + giving the highest average yields. Energy yields calculated without constraining pH were similar to those at constant pH except for reactions where H(+) was consumed, which often had significantly lower yields when pH was unconstrained. In contrast to the commonly used normalization of reaction chemical affinities per mole of electrons transferred, reaction energy yields for a given oxidant varied by several orders of magnitude and were more sensitive to differences in the activities of products and reactants. The high energy yield of aerobic ammonia oxidation is consistent with previous observations of significant ammonia oxidation rates and abundant ammonia-oxidizing archaea in sediments of these springs. This approach offers an additional lens through which to view the thermodynamic landscape of geothermal springs. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Enantioselective solvent-free Robinson annulation reactions

Indian Academy of Sciences (India)

Unknown

solvents to effect an asymmetric synthesis is an important step forward towards ... In continuation of our preliminary communication 2, we wish to ..... formation of chiral enamine 74 from the reaction of S-proline with pro-R carbonyl group.

Reactions with weakly bound nuclei at near barrier energies

International Nuclear Information System (INIS)

Nanal, Vandana

2014-01-01

In reactions with weakly bound nuclei, the effect of breakup on fusion process has attracted much attention in recent years. The experimental study shows that breakup channel leads to suppression of complete fusion at above barrier energies due to loss of flux. The fusion barrier distribution can provide a further insight into understanding the influence of coupling to the breakup channels. Similar information could be obtained from the elastic and quasielastic (QEL) scattering because of the conservation of the reaction flux (i.e. R+T= 1), where R is the reflection probability and T is the transmission probability. Thus, quasi-elastic scattering at backward angles is the counterpart of the fusion process and it is expected that the barrier distributions extracted from two processes, namely, QEL and fusion should be similar. While this is true for tightly bound reaction systems, in reactions involving weakly bound projectiles significant differences have been observed for QEL barrier distributions with and without inclusion of breakup processes. This talk will present the recent results for fusion and quasi-elastic scattering in "6","7Li + "1"9"7Au system. Developmental efforts towards a momentum achromatic separator, MARIE, to extract projectile-like secondary ion beams following the reactions of heavy-ion beams from superconducting LINAC booster at Mumbai will also be presented. (author)

High-performance Platinum-free oxygen reduction reaction and hydrogen oxidation reaction catalyst in polymer electrolyte membrane fuel cell.

Science.gov (United States)

Chandran, Priji; Ghosh, Arpita; Ramaprabhu, Sundara

2018-02-26

The integration of polymer electrolyte membrane fuel cell (PEMFC) stack into vehicles necessitates the replacement of high-priced platinum (Pt)-based electrocatalyst, which contributes to about 45% of the cost of the stack. The implementation of high-performance and durable Pt metal-free catalyst for both oxygen reduction reaction (ORR) and hydrogen oxidation reaction (HOR) could significantly enable large-scale commercialization of fuel cell-powered vehicles. Towards this goal, a simple, scalable, single-step synthesis method was adopted to develop palladium-cobalt alloy supported on nitrogen-doped reduced graphene oxide (Pd 3 Co/NG) nanocomposite. Rotating ring-disk electrode (RRDE) studies for the electrochemical activity towards ORR indicates that ORR proceeds via nearly four-electron mechanism. Besides, the mass activity of Pd 3 Co/NG shows an enhancement of 1.6 times compared to that of Pd/NG. The full fuel cell measurements were carried out using Pd 3 Co/NG at the anode, cathode in conjunction with Pt/C and simultaneously at both anode and cathode. A maximum power density of 68 mW/cm 2 is accomplished from the simultaneous use of Pd 3 Co/NG as both anode and cathode electrocatalyst with individual loading of 0.5 mg/cm 2 at 60 °C without any backpressure. To the best of our knowledge, the present study is the first of its kind of a fully non-Pt based PEM full cell.

On some classes of super quasi-Einstein manifolds

International Nuclear Information System (INIS)

Ozguer, Cihan

2009-01-01

Quasi-Einstein and generalized quasi-Einstein manifolds are the generalizations of Einstein manifolds. In this study, we consider a super quasi-Einstein manifold, which is another generalization of an Einstein manifold. We find the curvature characterizations of a Ricci-pseudosymmetric and a quasi-conformally flat super quasi-Einstein manifolds. We also consider the condition C ∼ .S=0 on a super quasi-Einstein manifold, where C ∼ and S denote the quasi-conformal curvature tensor and Ricci tensor of the manifold, respectively.

Hypersensitivity reaction studies of a polyethoxylated castor oil-free, liposome-based alternative paclitaxel formulation.

Science.gov (United States)

Wang, Hongbo; Cheng, Guang; Du, Yuan; Ye, Liang; Chen, Wenzhong; Zhang, Leiming; Wang, Tian; Tian, Jingwei; Fu, Fenghua

2013-03-01

The commercial drug paclitaxel (Taxol) may introduce hypersensitivity reactions associated with the polyethoxylated castor oil-ethanol solvent. To overcome these problems, we developed a polyethoxylated castor oil-free, liposome-based alternative paclitaxel formulation, known as Lipusu. In this study, we performed in vitro and in vivo experiments to compare the safety profiles of Lipusu and Taxol, with special regard to hypersensitivity reactions. First, Swiss mice were used to determine the lethal dosages, and then to evaluate hypersensitivity reactions, followed by histopathological examination and enzyme-linked immunosorbent assays (ELISAs) of serum SC5b-9 and lung histamine. Additionally, healthy human serum was used to analyze in vitro complement activation. Finally, an MTT assay was used to determine the in vitro anti-proliferation activity. Our data clearly showed that Lipusu displayed a much higher safety margin and did not induce hypersensitivity or hypersensitivity-related lung lesions, which may be associated with the fact that Lipusu did not activate complement or increase histamine release in vivo. Moreover, Lipusu did not promote complement activation in healthy human serum in vitro, and demonstrated anti-proliferative activity against human cancer cells, similar to that of Taxol. Therefore, the improved formulation of paclitaxel, which exhibited a much better safety profile and comparable cytotoxic activity to Taxol, may bring a number of benefits to cancer patients.

Quasi-relativistic fermions and dynamical flavour oscillations

CERN Document Server

Alexandre, Jean; Mavromatos, Nick E.

2014-01-01

We introduce new Lorentz-symmetry violating kinematics for a four-fermion interaction model, where dynamical mass generation is allowed, irrespectively of the strength of the coupling. In addition, these kinematics lead to a quasi-relativistic dispersion relation, in the sense that it is relativistic in both the infrared and the ultraviolet, but not in an intermediate regime, characterized by the mass $M$. For two fermions, we show that a flavour-mixing mass matrix is generated dynamically, and the Lorentz symmetric limit $M\\to\\infty$ leads to two free relativistic fermions, with flavour oscillations. This model, valid for either Dirac or Majorana fermions, can describe any set of phenomenological values for the eigen masses and the mixing angle.

Scissors strength in the quasi-continuum of actinides

Directory of Open Access Journals (Sweden)

Guttormsen M.

2014-03-01

Full Text Available The M1-scissors resonance has been measured for the first time in the quasi-continuum of actinides. The strength and position of the resonances in 231,232,233Th were determined by particle-γ coincidences using deuteron induced reactions on a 232Th target. The residual nuclei show a strong integrated strength of BM1 = 9 − 11 µn2 in the Eγ = 1.0 − 3.5 MeV region. The presence of the scissors resonance modifies significantly the (n,γ cross section, which has impact on fuel-cycle simulations of fast nuclear reactors and nucleosynthesis in explosive stellar environments.

Settling velocity of quasi-neutrally-buoyant inertial particles

Science.gov (United States)

Martins Afonso, Marco; Gama, Sílvio M. A.

2018-02-01

We investigate the sedimentation properties of quasi-neutrally buoyant inertial particles carried by incompressible zero-mean fluid flows. We obtain generic formulae for the terminal velocity in generic space-and-time periodic (or steady) flows, along with further information for flows endowed with some degree of spatial symmetry such as odd parity in the vertical direction. These expressions consist in space-time integrals of auxiliary quantities that satisfy partial differential equations of the advection-diffusion-reaction type, which can be solved at least numerically, since our scheme implies a huge reduction of the problem dimensionality from the full phase space to the classical physical space. xml:lang="fr"

Black holes in quasi-topological gravity and conformal couplings

Science.gov (United States)

Chernicoff, Mariano; Fierro, Octavio; Giribet, Gaston; Oliva, Julio

2017-02-01

Lovelock theory of gravity provides a tractable model to investigate the effects of higher-curvature terms in the context of AdS/CFT. Yielding second order, ghost-free field equations, this theory represents a minimal setup in which higher-order gravitational couplings in asymptotically Anti-de Sitter (AdS) spaces, including black holes, can be solved analytically. This however has an obvious limitation as in dimensions lower than seven, the contribution from cubic or higher curvature terms is merely topological. Therefore, in order to go beyond quadratic order and study higher terms in AdS5 analytically, one is compelled to look for other toy models. One such model is the so-called quasi-topological gravity, which, despite being a higher-derivative theory, provides a tractable setup with R 3 and R 4 terms. In this paper, we investigate AdS5 black holes in quasi-topological gravity. We consider the theory conformally coupled to matter and in presence of Abelian gauge fields. We show that charged black holes in AdS5 which, in addition, exhibit a backreaction of the matter fields on the geometry can be found explicitly in this theory. These solutions generalize the black hole solution of quasi-topological gravity and exist in a region of the parameter spaces consistent with the constraints coming from causality and other consistency conditions. They have finite conserved charges and exhibit non-trivial thermodynamical properties.

Black holes in quasi-topological gravity and conformal couplings

International Nuclear Information System (INIS)

Chernicoff, Mariano; Fierro, Octavio; Giribet, Gaston; Oliva, Julio

2017-01-01

Lovelock theory of gravity provides a tractable model to investigate the effects of higher-curvature terms in the context of AdS/CFT. Yielding second order, ghost-free field equations, this theory represents a minimal setup in which higher-order gravitational couplings in asymptotically Anti-de Sitter (AdS) spaces, including black holes, can be solved analytically. This however has an obvious limitation as in dimensions lower than seven, the contribution from cubic or higher curvature terms is merely topological. Therefore, in order to go beyond quadratic order and study higher terms in AdS 5 analytically, one is compelled to look for other toy models. One such model is the so-called quasi-topological gravity, which, despite being a higher-derivative theory, provides a tractable setup with R 3 and R 4 terms. In this paper, we investigate AdS 5 black holes in quasi-topological gravity. We consider the theory conformally coupled to matter and in presence of Abelian gauge fields. We show that charged black holes in AdS 5 which, in addition, exhibit a backreaction of the matter fields on the geometry can be found explicitly in this theory. These solutions generalize the black hole solution of quasi-topological gravity and exist in a region of the parameter spaces consistent with the constraints coming from causality and other consistency conditions. They have finite conserved charges and exhibit non-trivial thermodynamical properties.

Black holes in quasi-topological gravity and conformal couplings

Energy Technology Data Exchange (ETDEWEB)

Chernicoff, Mariano [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México,A.P. 70-542, México D.F. 04510 (Mexico); Fierro, Octavio [Departamento de Matemática y Física Aplicadas,Universidad Católica de la Santísima Concepción,Alonso de Rivera 2850, Concepción (Chile); Giribet, Gaston [Martin Fisher School of Physics, Brandeis University,Waltham, Massachusetts 02453 (United States); Departamento de Física, Universidad de Buenos Aires FCEN-UBA and IFIBA-CONICET, Ciudad Universitaria, Pabellón I, 1428, Buenos Aires (Argentina); Oliva, Julio [Departamento de Física, Universidad de Concepción,Casilla 160-C, Concepción (Chile)

2017-02-02

Lovelock theory of gravity provides a tractable model to investigate the effects of higher-curvature terms in the context of AdS/CFT. Yielding second order, ghost-free field equations, this theory represents a minimal setup in which higher-order gravitational couplings in asymptotically Anti-de Sitter (AdS) spaces, including black holes, can be solved analytically. This however has an obvious limitation as in dimensions lower than seven, the contribution from cubic or higher curvature terms is merely topological. Therefore, in order to go beyond quadratic order and study higher terms in AdS{sub 5} analytically, one is compelled to look for other toy models. One such model is the so-called quasi-topological gravity, which, despite being a higher-derivative theory, provides a tractable setup with R{sup 3} and R{sup 4} terms. In this paper, we investigate AdS{sub 5} black holes in quasi-topological gravity. We consider the theory conformally coupled to matter and in presence of Abelian gauge fields. We show that charged black holes in AdS{sub 5} which, in addition, exhibit a backreaction of the matter fields on the geometry can be found explicitly in this theory. These solutions generalize the black hole solution of quasi-topological gravity and exist in a region of the parameter spaces consistent with the constraints coming from causality and other consistency conditions. They have finite conserved charges and exhibit non-trivial thermodynamical properties.

Some Considerations on the Fundamentals of Chemical Kinetics: Steady State, Quasi-Equilibrium, and Transition State Theory

Science.gov (United States)

Perez-Benito, Joaquin F.

2017-01-01

The elementary reaction sequence A ? I ? Products is the simplest mechanism for which the steady-state and quasi-equilibrium kinetic approximations can be applied. The exact integrated solutions for this chemical system allow inferring the conditions that must fulfill the rate constants for the different approximations to hold. A graphical…

Study on interfacial reaction between lead-free solders and alternative surface finishes

International Nuclear Information System (INIS)

Siti Rabiatul Aisha; Ourdjini, A.; Saliza Osman

2007-01-01

This study investigates the interfacial reactions occurring during reflow soldering between Sn-Ag-Cu lead-free solder and two surface finishes: electroless nickel/ immersion gold (ENIG) and immersion silver (IAg). The study focuses on interfacial reactions evolution and growth kinetics of intermetallic compounds (IMC) formed during soldering and isothermal ageing at 150 degree Celsius for up to 2000 hours. Optical and scanning electron microscopy were used to measure IMC thickness and examine the morphology of IMC respectively, whereas the IMC phases were identified by energy dispersive X-ray analysis (EDX). The results showed that the IMC formed on ENIG finish is thinner compared to that formed on IAg finish. For IAg surface finish, Cu 6 Sn 5 IMCs with scallop morphology are formed at the solder/ surface finish interface after reflow while a second IMC, Cu 3 Sn was formed between the copper and Cu 6 Sn 5 IMC after the isothermal ageing treatment. For ENIG surface finish both (Cu,Ni) 6 Sn 5 and (Ni,Cu) 3 Sn 4 are formed after soldering. Isothermal aging of the solder joints formed on ENIG finish was found to have a significant effect on the morphology of the intermetallics by transforming to more spherical and denser morphology in addition to increase i their thickness with increased ageing time. (author)

Study on the Spectrophotometric Detection of Free Fatty Acids in Palm Oil Utilizing Enzymatic Reactions

Directory of Open Access Journals (Sweden)

Nur Hidayah Azeman

2015-07-01

Full Text Available In this paper, a comprehensive study has been made on the detection of free fatty acids (FFAs in palm oil via an optical technique based on enzymatic aminolysis reactions. FFAs in crude palm oil (CPO were converted into fatty hydroxamic acids (FHAs in a biphasic lipid/aqueous medium in the presence of immobilized lipase. The colored compound formed after complexation between FHA and vanadium (V ion solution was proportional to the FFA content in the CPO samples and was analyzed using a spectrophotometric method. In order to develop a rapid detection system, the parameters involved in the aminolysis process were studied. The utilization of immobilized lipase as catalyst during the aminolysis process offers simplicity in the product isolation and the possibility of conducting the process under extreme reaction conditions. A good agreement was found between the developed method using immobilized Thermomyces lanuginose lipase as catalyst for the aminolysis process and the Malaysian Palm Oil Board (MPOB standard titration method (R2 = 0.9453.

Singlet Oxygen and Free Radical Reactions of Retinoids and Carotenoids—A Review

Science.gov (United States)

Truscott, T. George

2018-01-01

We report on studies of reactions of singlet oxygen with carotenoids and retinoids and a range of free radical studies on carotenoids and retinoids with emphasis on recent work, dietary carotenoids and the role of oxygen in biological processes. Many previous reviews are cited and updated together with new data not previously reviewed. The review does not deal with computational studies but the emphasis is on laboratory-based results. We contrast the ease of study of both singlet oxygen and polyene radical cations compared to neutral radicals. Of particular interest is the switch from anti- to pro-oxidant behavior of a carotenoid with change of oxygen concentration: results for lycopene in a cellular model system show total protection of the human cells studied at zero oxygen concentration, but zero protection at 100% oxygen concentration. PMID:29301252

Measurement and quasi-states in quantum mechanics

International Nuclear Information System (INIS)

Harper, C.D.

1987-01-01

Part of the task of quantum logic is to account for the collapse of the state vector during measurement. A difficulty in this is that it is not obvious how to describe measurement quantum mechanically as the interaction of two or more systems; interacting quantum-mechanical systems do not possess states, so their states cannot collapse. This dissertation shows that component systems of a composite system possess families of state-like vectors. These are the quasi-projections of the state vector of the composite system, each associated with a family of commutable observables. Often these quasi-projections cluster so closely around a quasi-state that they are practically indistinguishable from it. A description of measurement based on quasi-projections reveals the apparent collapse of the state vector during measurement to be illusory. The continuous evolution of the state of the composite system give rise to abrupt changes in the quasi-projections which make it appear that the state has changed. The quasi-projections cease to cluster near one quasi-state, are momentarily scattered, and then cluster again near another quasi-state. The concept of quasi-projection is also used to generalize the quantum logic of Birkhoff and von Neumann in such a fashion that a proposition can always be assigned a truth value

Ground reaction force comparison of bilateral symmetry with pneumatic resistance squat device and free weights - biomed 2009.

Science.gov (United States)

Paulus, David C; Schilling, Brian K

2009-01-01

The unloading of spaceflight leads to bone and muscle atrophy, and a pneumatic resistance squat exercise countermeasure has the potential to provide optimized controllable resistance in a lightweight and compact configuration. However each end of the barbell in the proposed device is connected to a separate resistance cylinder which could lead to bilaterally asymmetric loading. Therefore, the purpose of the study is to compare the unilateral ground reaction forces (GRF) of the new squat device compared to free weights. Four previously trained men (mean +/- SD; age = 20+/-2 years, body mass = 99+/-18 kg) performed three sets of three repetitions of maximal exertion squat exercises with pneumatically controlled constant resistance and free weights each with a resistance level set to half of the body weight of each subject. Unilateral GRF data for each lifting modality at the negative to positive transition of the squat exercise was measured with a force plate under each foot. The pneumatic resistance GRF (N; mean +/- SD) was 749+/-114 on the left leg and 786+/-123 on the right leg and the free weight GRF was 786+/-114 left and 861+/-111 right resulting in a 5% difference between left and right GRF with pneumatics and 9% difference with free weights. The correlation coefficient between left and right GRF was 0.92 with pneumatics and 0.80 with free weights. Because the pneumatic device elicited more bilaterally symmetric GRF than traditional free weights, the separate resistance cylinders are an acceptable design configuration.

The study of quasi-projectiles produced in Ni+Ni and Ni+Au collisions: excitation energy and spin

International Nuclear Information System (INIS)

Buta, A.

2003-02-01

During the collision between the projectile and the target nuclei in the intermediate energy regime (E < 100 MeV/nucleon) two excited nuclei are mainly observed in the exit channel, the quasi projectile (QP) and the quasi target. They disintegrate by particle emission. However, this binary picture is perturbed by the emission of particles and light fragments with velocities intermediate between the projectile velocity and the target one, all along the interaction (midrapidity component). This work aim to determine the excitation energy and the intrinsic angular momentum (or spin) of quasi-projectiles produced in the Ni+Ni and Ni+Au collisions at 52 and 90 MeV/nucleon. The excitation energy is deduced from the kinematical characteristics of particles emitted by the quasi-projectile. They have to be separated from midrapidity particles. Three different scenarios have been used for this purpose. The spin of the quasi-projectile has been extracted from the experimental data by mean of proton and alpha particles multiplicities emitted by the QP in the Ni+Au at 52 MeV/nucleon reaction. The results have been compared to the predictions of a theoretical model based on nucleon transfers. Their evolution is qualitatively reproduced as a function of the violence of the collision. (author)

Determining "small parameters" for quasi-steady state

Science.gov (United States)

Goeke, Alexandra; Walcher, Sebastian; Zerz, Eva

2015-08-01

For a parameter-dependent system of ordinary differential equations we present a systematic approach to the determination of parameter values near which singular perturbation scenarios (in the sense of Tikhonov and Fenichel) arise. We call these special values Tikhonov-Fenichel parameter values. The principal application we intend is to equations that describe chemical reactions, in the context of quasi-steady state (or partial equilibrium) settings. Such equations have rational (or even polynomial) right-hand side. We determine the structure of the set of Tikhonov-Fenichel parameter values as a semi-algebraic set, and present an algorithmic approach to their explicit determination, using Groebner bases. Examples and applications (which include the irreversible and reversible Michaelis-Menten systems) illustrate that the approach is rather easy to implement.

Reaction Coordinate, Free Energy, and Rate of Intramolecular Proton Transfer in Human Carbonic Anhydrase II.

Science.gov (United States)

Paul, Sanjib; Paul, Tanmoy Kumar; Taraphder, Srabani

2018-03-22

The role of structure and dynamics of an enzyme has been investigated at three different stages of its function including the chemical event it catalyzes. A one-pot computational method has been designed for each of these stages on the basis of classical and/or quantum mechanical-molecular mechanical molecular dynamics and transition path sampling simulations. For a pair of initial and final states A and B separated by a high free-energy barrier, using a two-stage selection process, several collective variables (CVs) are identified that can delineate A and B. However, these CVs are found to exhibit strong cross-coupling over the transition paths. A set of mutually orthogonal order parameters is then derived from these CVs and an optimal reaction coordinate, r, determined applying half-trajectory likelihood maximization along with a Bayesian information criterion. The transition paths are also used to project the multidimensional free energy surface and barrier crossing dynamics along r. The proposed scheme has been applied to the rate-determining intramolecular proton transfer reaction of the well-known enzyme human carbonic anhydrase II. The potential of mean force, F( r), in the absence of the chemical step is found to reproduce earlier results on the equilibrium population of two side-chain orientations of key residue His-64. Estimation of rate constants, k, from mean first passage times for the three different stages of catalysis shows that the rate-determining step of intramolecular proton transfer occurs with k ≃ 1.0 × 10 6 s -1 , in close agreement with known experimental results.

Weak completeness of the Bourbaki quasi-uniformity

Directory of Open Access Journals (Sweden)

M.A. Sánchez Granero

2001-04-01

Full Text Available The concept of semicompleteness (weaker than half-completeness is defined for the Bourbaki quasi-uniformity of the hyperspace of a quasi-uniform space. It is proved that the Bourbaki quasi-uniformity is semicomplete in the space of nonempty sets of a quasi-uniform space (X,U if and only if each stable filter on (X,U* has a cluster point in (X,U. As a consequence the space of nonempty sets of a quasi-pseudometric space is semicomplete if and only if the space itself is half-complete. It is also given a characterization of semicompleteness of the space of nonempty U*-compact sets of a quasi-uniform space (X,U which extends the well known Zenor-Morita theorem.

Purification of hydrogen under a free or combined form in a gaseous mixture, by chemical reactions with uranium

International Nuclear Information System (INIS)

Caron Charles, M.

1988-03-01

Within the framework of the european fusion program, we are dealing with the purification of hydrogen (tritium) under a free or combined form, from a H 2 , N 2 , NH 3 , CH 4 , O 2 , gaseous mixture. The process consists in cracking the hydrogenated molecules and absorbing the impurities by chemical reactions with uranium, without holding back hydrogen. In the temperature range: 950 K [fr

Rate coefficients from quantum and quasi-classical cumulative reaction probabilities for the S(1D) + H2 reaction

Science.gov (United States)

Jambrina, P. G.; Lara, Manuel; Menéndez, M.; Launay, J.-M.; Aoiz, F. J.

2012-10-01

Cumulative reaction probabilities (CRPs) at various total angular momenta have been calculated for the barrierless reaction S(1D) + H2 → SH + H at total energies up to 1.2 eV using three different theoretical approaches: time-independent quantum mechanics (QM), quasiclassical trajectories (QCT), and statistical quasiclassical trajectories (SQCT). The calculations have been carried out on the widely used potential energy surface (PES) by Ho et al. [J. Chem. Phys. 116, 4124 (2002), 10.1063/1.1431280] as well as on the recent PES developed by Song et al. [J. Phys. Chem. A 113, 9213 (2009), 10.1021/jp903790h]. The results show that the differences between these two PES are relatively minor and mostly related to the different topologies of the well. In addition, the agreement between the three theoretical methodologies is good, even for the highest total angular momenta and energies. In particular, the good accordance between the CRPs obtained with dynamical methods (QM and QCT) and the statistical model (SQCT) indicates that the reaction can be considered statistical in the whole range of energies in contrast with the findings for other prototypical barrierless reactions. In addition, total CRPs and rate coefficients in the range of 20-1000 K have been calculated using the QCT and SQCT methods and have been found somewhat smaller than the experimental total removal rates of S(1D).

Numerical simulation of nonlinear wave force on a quasi-ellipse caisson

Science.gov (United States)

Wang, Yongxue; Ren, Xiaozhong; Wang, Guoyu

2011-09-01

A three dimensional numerical model of nonlinear wave action on a quasi-ellipse caisson in a time domain was developed in this paper. Navier-Stokes equations were solved by the finite difference method, and the volume of fluid (VOF) method was employed to trace the free surface. The partial cell method was used to deal with the irregular boundary typical of this type of problem during first-time wave interaction with the structure, and a satisfactory result was obtained. The numerical model was verified and used to investigate the effects of the relative wave height H/d, relative caisson width kD, and relative length-width ratio B/D on the wave forces of the quasi-ellipse caisson. It was shown that the relative wave height H/d has a significant effect on the wave forces of the caisson. Compared with the non-dimensional inline wave force, the relative length-width ratio B/D was shown to have significant influence on the non-dimensional transverse wave force.

Application of quasi-random numbers for simulation

International Nuclear Information System (INIS)

Kazachenko, O.N.; Takhtamyshev, G.G.

1985-01-01

Application of the Monte-Carlo method for multidimensional integration is discussed. The main goal is to check the statement that the application of quasi-random numbers instead of regular pseudo-random numbers provides more rapid convergency. The Sobol, Richtmayer and Halton algorithms of quasi-random sequences are described. Over 50 tests to compare these quasi-random numbers as well as pseudo-random numbers were fulfilled. In all cases quasi-random numbers have clearly demonstrated a more rapid convergency as compared with pseudo-random ones. Positive test results on quasi-random trend in Monte-Carlo method seem very promising

Temperature dependence on sodium-water chemical reaction

International Nuclear Information System (INIS)

Tamura, Kenta; Deguchi, Yoshihiro; Suzuki, Koichi; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2012-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using laser diagnostics. A quasi one-dimensional flame model is also applied to a sodium-water counter-flow reaction field. Temperature, H 2 , H 2 O, OH, Na and Particulate matter were measured using laser induced fluorescence and CARS in the counter-flow reaction field. The temperature of the reaction field was also modified to reduce the condensation of Na in the reaction zone. (author)

Fast integration using quasi-random numbers

International Nuclear Information System (INIS)

Bossert, J.; Feindt, M.; Kerzel, U.

2006-01-01

Quasi-random numbers are specially constructed series of numbers optimised to evenly sample a given s-dimensional volume. Using quasi-random numbers in numerical integration converges faster with a higher accuracy compared to the case of pseudo-random numbers. The basic properties of quasi-random numbers are introduced, various generators are discussed and the achieved gain is illustrated by examples

Fast integration using quasi-random numbers

Science.gov (United States)

Bossert, J.; Feindt, M.; Kerzel, U.

2006-04-01

Quasi-random numbers are specially constructed series of numbers optimised to evenly sample a given s-dimensional volume. Using quasi-random numbers in numerical integration converges faster with a higher accuracy compared to the case of pseudo-random numbers. The basic properties of quasi-random numbers are introduced, various generators are discussed and the achieved gain is illustrated by examples.

Investigations of structure, bonding, and reactions of radiation-induced free radicals in the solid state using electron spin resonance spectroscopy

International Nuclear Information System (INIS)

Hudson, R.L.

1978-01-01

Electron spin resonance spectroscopy (ESR) has been used to study the structure, bonding, and reactions of several types of free radicals produced by γ irradiation of solids at 77K. Well-defined spectral patterns and the use of photolysis and annealing treatments assisted the analyses and interpretations. The radical anion BF 3 - was generated and identified unequivocally in a matrix of tetramethylsilane at 77K. Both the ESR data and theoretical calculations support a pyramidal structure with a bond angle of about 110 0 . The present experiments showed that BF 3 - has ESR parameters consistent with those of the isoelectronic radicals CF 3 , NF 3 + , and F 2 NO. γ irradiation of polycrystalline trimethyl borate at 77K gave an ESR spectrum which was assigned to the dimer radical anion [(MeO) 3 B.B(OMe) 3 ] - . Radical anions of dialkyl carbonates were observed for the first time and found to undergo a β-scission reaction to produce alkyl radicals. This free radical reaction is unusual in that it proceeds both thermally and photochemically. For the dimethyl carbonate radical anion, 13 C parameters were obtained from a 13 C enriched sample. The photolysis of trapped radicals in γ irradiated carboxylic esters, RC(O)OR', was studied by ESR spectroscopy and two different reactions were characterized. Two hypervalent silicon radical anions were prepared and examined in SI(OCH 3 ) 4 . The results of the present work thus represent the first complete sets of data on the silicon 3s and 3p spin densities for such species. The first PL 3 - radical anion was prepared by the γ irradiation of crystalline trimethylphosphite, and identified through its photolysis reactions and from the results of radiation chemical experiments

Stable and efficient retrospective 4D-MRI using non-uniformly distributed quasi-random numbers

Science.gov (United States)

Breuer, Kathrin; Meyer, Cord B.; Breuer, Felix A.; Richter, Anne; Exner, Florian; Weng, Andreas M.; Ströhle, Serge; Polat, Bülent; Jakob, Peter M.; Sauer, Otto A.; Flentje, Michael; Weick, Stefan

2018-04-01

The purpose of this work is the development of a robust and reliable three-dimensional (3D) Cartesian imaging technique for fast and flexible retrospective 4D abdominal MRI during free breathing. To this end, a non-uniform quasi random (NU-QR) reordering of the phase encoding (k y –k z ) lines was incorporated into 3D Cartesian acquisition. The proposed sampling scheme allocates more phase encoding points near the k-space origin while reducing the sampling density in the outer part of the k-space. Respiratory self-gating in combination with SPIRiT-reconstruction is used for the reconstruction of abdominal data sets in different respiratory phases (4D-MRI). Six volunteers and three patients were examined at 1.5 T during free breathing. Additionally, data sets with conventional two-dimensional (2D) linear and 2D quasi random phase encoding order were acquired for the volunteers for comparison. A quantitative evaluation of image quality versus scan times (from 70 s to 626 s) for the given sampling schemes was obtained by calculating the normalized mutual information (NMI) for all volunteers. Motion estimation was accomplished by calculating the maximum derivative of a signal intensity profile of a transition (e.g. tumor or diaphragm). The 2D non-uniform quasi-random distribution of phase encoding lines in Cartesian 3D MRI yields more efficient undersampling patterns for parallel imaging compared to conventional uniform quasi-random and linear sampling. Median NMI values of NU-QR sampling are the highest for all scan times. Therefore, within the same scan time 4D imaging could be performed with improved image quality. The proposed method allows for the reconstruction of motion artifact reduced 4D data sets with isotropic spatial resolution of 2.1  ×  2.1  ×  2.1 mm3 in a short scan time, e.g. 10 respiratory phases in only 3 min. Cranio-caudal tumor displacements between 23 and 46 mm could be observed. NU-QR sampling enables for stable 4D

Formation of a cavitation cluster in the vicinity of a quasi-empty rupture

Science.gov (United States)

Bol'shakova, E. S.; Kedrinskiy, V. K.

2017-09-01

The presentation deals with one of the experimental and numerical models of a quasi-empty rupture in the magma melt. This rupture is formed in the liquid layer of a distilled cavitating fluid under shock loading within the framework of the problem formulation with a small electromagnetic hydrodynamic shock tube. It is demonstrated that the rupture is shaped as a spherical segment, which retains its topology during the entire process of its evolution and collapsing. The dynamic behavior of the quasi-empty rupture is analyzed, and the growth of cavitating nuclei in the form of the boundary layer near the entire rupture interface is found. It is shown that rupture implosion is accompanied by the transformation of the bubble boundary layer to a cavitating cluster, which takes the form of a ring-shaped vortex floating upward to the free surface of the liquid layer. A p-κ mathematical model is formulated, and calculations are performed to investigate the implosion of a quasi-empty spherical cavity in the cavitating liquid, generation of a shock wave by this cavity, and dynamics of the bubble density growth in the cavitating cluster by five orders of magnitude.

Study of the excited {Delta} resonance ways of decay in {sup 4}He and other nuclei with the ({sup 3}He,T) reaction at 2 GeV; Etude des voies de decroissance de la resonance {Delta} excitee dans l`{sup 4}He et d`autres noyaux par la reaction ({sup 3}He,T) a 2 GeV

Energy Technology Data Exchange (ETDEWEB)

Tarle-Rousteau, S

1995-05-10

This thesis describes the ({sup 3}He,t) experiment carried out at 2 GeV at the Saturne National Laboratory (CEA Saclay, France) on {sup 1}H, {sup 2}H, {sup 4}He, {sup 12}C and {sup 208}Pb targets. The charged particles (pions and/or protons) from the {Delta} resonance deexcitation are detected in coincidence with triton using the Diogene large angle detector. New informations are obtained on the ways of {Delta} resonance decay in nuclei. Three modes of decay are investigated: the quasi-free decay, the {Delta}N into NN absorption and the coherent pions production. Modifications of {Delta} resonance properties in nuclei with respect to those of free {Delta} are analysed using the experimental results about pions diffusion, photons absorption, charge exchange reaction and {Delta}-hole model conclusions. The quasi-deuteron absorption process on {sup 4}He is studied using a Monte-Carlo simulation. Coherent pions production is also analysed in detail on {sup 4}He and {sup 12}C target nuclei. The process is very sensitive to {Delta}-hole correlations involved in the longitudinal spin canal which shifts the nucleus response in the {Delta} resonance region towards the low transferred energies. (J.S.). 85 refs., 72 figs., 10 tabs., 1 annexe.

Quasi parton distributions and the gradient flow

International Nuclear Information System (INIS)

Monahan, Christopher; Orginos, Kostas

2017-01-01

We propose a new approach to determining quasi parton distribution functions (PDFs) from lattice quantum chromodynamics. By incorporating the gradient flow, this method guarantees that the lattice quasi PDFs are finite in the continuum limit and evades the thorny, and as yet unresolved, issue of the renormalization of quasi PDFs on the lattice. In the limit that the flow time is much smaller than the length scale set by the nucleon momentum, the moments of the smeared quasi PDF are proportional to those of the lightfront PDF. Finally, we use this relation to derive evolution equations for the matching kernel that relates the smeared quasi PDF and the light-front PDF.

Differential geometry of quasi-Sasakian manifolds

International Nuclear Information System (INIS)

Kirichenko, V F; Rustanov, A R

2002-01-01

The full system of structure equations of a quasi-Sasakian structure is obtained. The structure of the main tensors on a quasi-Sasakian manifold (the Riemann-Christoffel tensor, the Ricci tensor, and other tensors) is studied on this basis. Interesting characterizations of quasi-Sasakian Einstein manifolds are obtained. Additional symmetry properties of the Riemann-Christoffel tensor are discovered and used for distinguishing a new class of CR 1 quasi-Sasakian manifolds. An exhaustive description of the local structure of manifolds in this class is given. A complete classification (up to the B-transformation of the metric) is obtained for manifolds in this class having additional properties of the isotropy kind

Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

Science.gov (United States)

Flores-Conde, Maria Ines; Reyes, Leonor; Herrera, Rafael; Rios, Hulme; Vazquez, Miguel A.; Miranda, Rene; Tamariz, Joaquin; Delgado, Francisco

2012-01-01

Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17), under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO) calculations. PMID:22489113

Highly Regio- and Stereoselective Diels-Alder Cycloadditions via Two-Step and Multicomponent Reactions Promoted by Infrared Irradiation under Solvent-Free Conditions

Directory of Open Access Journals (Sweden)

Francisco Delgado

2012-02-01

Full Text Available Infrared irradiation promoted the Diels-Alder cycloadditions of exo-2-oxazolidinone dienes 1–3 with the Knoevenagel adducts 4–6, as dienophiles, leading to the synthesis of new 3,5-diphenyltetrahydrobenzo[d]oxazol-2-one derivatives (7, 9, 11 and 13–17, under solvent-free conditions. These cycloadditions were performed with good regio- and stereoselectivity, favoring the para-endo cycloadducts. We also evaluated the one-pot three-component reaction of active methylene compounds 20, benzaldehydes 21 and exo-2-oxazolidinone diene 2 under the same reaction conditions. A cascade Knoevenagel condensation/Diels-Alder cycloaddition reaction was observed, resulting in the final adducts 13–16 in similar yields. These procedures are environmentally benign, because no solvent and no catalyst were employed in these processes. The regioselectivity of these reactions was rationalized by Frontier Molecular Orbital (FMO calculations.

Performance Comparison of Orthogonal and Quasi-orthogonal Codes in Quasi-Synchronous Cellular CDMA Communication

Science.gov (United States)

Jos, Sujit; Kumar, Preetam; Chakrabarti, Saswat

Orthogonal and quasi-orthogonal codes are integral part of any DS-CDMA based cellular systems. Orthogonal codes are ideal for use in perfectly synchronous scenario like downlink cellular communication. Quasi-orthogonal codes are preferred over orthogonal codes in the uplink communication where perfect synchronization cannot be achieved. In this paper, we attempt to compare orthogonal and quasi-orthogonal codes in presence of timing synchronization error. This will give insight into the synchronization demands in DS-CDMA systems employing the two classes of sequences. The synchronization error considered is smaller than chip duration. Monte-Carlo simulations have been carried out to verify the analytical and numerical results.

Hot 56Mn reactions in permanganate solutions: a quasi solution state study [Paper No. NC-6

International Nuclear Information System (INIS)

Dedgaonkar, V.G.; Mitra, S.

1982-01-01

Neutron activation of aqueous solutions of transition metal and ammonium permanganates over the concentration range 1-10 -3 M has been performed. Retentions for concentrated solutions were much higher than the solid state values, and upon dilution, a limiting value of approx. 4 per cent was attained. Activation of 1-10 -1 M permanganate quasi solutions containing either alumina or a polystyrene cation exchanger allowed continuous extraction of the recoil species before their recombination. (author)

Numerical Simulations for Nonlinear Waves Interaction with Multiple Perforated Quasi-Ellipse Caissons

Directory of Open Access Journals (Sweden)

Xiaozhong Ren

2015-01-01

Full Text Available A three-dimensional numerical flume is developed to study cnoidal wave interaction with multiple arranged perforated quasi-ellipse caissons. The continuity equation and the Navier-Stokes equations are used as the governing equation, and the VOF method is adopted to capture the free surface elevation. The equations are discretized on staggered cells and then solved using a finite difference method. The generation and propagation of cnoidal waves in the numerical flume are tested first. And the ability of the present model to simulate interactions between waves and structures is verified by known experimental results. Then cnoidal waves with varying incident wave height and period are generated and interact with multiple quasi-ellipse caissons with and without perforation. It is found that the perforation plays an effective role in reducing wave runup/rundown and wave forces on the caissons. The wave forces on caissons reduce with the decreasing incident wave period. The influence of the transverse distance of multiple caissons on wave forces is also investigated. A closer transverse distance between caissons can produce larger wave forces. But when relative adjacent distance L/D (L is the transverse distance and D is the width of the quasi-ellipse caisson is larger than 3, the effect of adjacent distance is limited.

The quantification of free Amadori compounds and amino acids allows to model the bound Maillard reaction products formation in soybean products

NARCIS (Netherlands)

Troise, Antonio Dario; Wiltafsky, Markus; Fogliano, Vincenzo; Vitaglione, Paola

2018-01-01

The quantification of protein bound Maillard reaction products (MRPs) is still a challenge in food chemistry. Protein hydrolysis is the bottleneck step: it is time consuming and the protein degradation is not always complete. In this study, the quantitation of free amino acids and Amadori products

Toward a Principled Sampling Theory for Quasi-Orders.

Science.gov (United States)

Ünlü, Ali; Schrepp, Martin

2016-01-01

Quasi-orders, that is, reflexive and transitive binary relations, have numerous applications. In educational theories, the dependencies of mastery among the problems of a test can be modeled by quasi-orders. Methods such as item tree or Boolean analysis that mine for quasi-orders in empirical data are sensitive to the underlying quasi-order structure. These data mining techniques have to be compared based on extensive simulation studies, with unbiased samples of randomly generated quasi-orders at their basis. In this paper, we develop techniques that can provide the required quasi-order samples. We introduce a discrete doubly inductive procedure for incrementally constructing the set of all quasi-orders on a finite item set. A randomization of this deterministic procedure allows us to generate representative samples of random quasi-orders. With an outer level inductive algorithm, we consider the uniform random extensions of the trace quasi-orders to higher dimension. This is combined with an inner level inductive algorithm to correct the extensions that violate the transitivity property. The inner level correction step entails sampling biases. We propose three algorithms for bias correction and investigate them in simulation. It is evident that, on even up to 50 items, the new algorithms create close to representative quasi-order samples within acceptable computing time. Hence, the principled approach is a significant improvement to existing methods that are used to draw quasi-orders uniformly at random but cannot cope with reasonably large item sets.

Toward a Principled Sampling Theory for Quasi-Orders

Science.gov (United States)

Ünlü, Ali; Schrepp, Martin

2016-01-01

Quasi-orders, that is, reflexive and transitive binary relations, have numerous applications. In educational theories, the dependencies of mastery among the problems of a test can be modeled by quasi-orders. Methods such as item tree or Boolean analysis that mine for quasi-orders in empirical data are sensitive to the underlying quasi-order structure. These data mining techniques have to be compared based on extensive simulation studies, with unbiased samples of randomly generated quasi-orders at their basis. In this paper, we develop techniques that can provide the required quasi-order samples. We introduce a discrete doubly inductive procedure for incrementally constructing the set of all quasi-orders on a finite item set. A randomization of this deterministic procedure allows us to generate representative samples of random quasi-orders. With an outer level inductive algorithm, we consider the uniform random extensions of the trace quasi-orders to higher dimension. This is combined with an inner level inductive algorithm to correct the extensions that violate the transitivity property. The inner level correction step entails sampling biases. We propose three algorithms for bias correction and investigate them in simulation. It is evident that, on even up to 50 items, the new algorithms create close to representative quasi-order samples within acceptable computing time. Hence, the principled approach is a significant improvement to existing methods that are used to draw quasi-orders uniformly at random but cannot cope with reasonably large item sets. PMID:27965601

CATALYST-FREE REACTIONS UNDER SOLVENT-FEE CONDITIONS: MICROWAVE-ASSISTED SYNTHESIS OF HETEROCYCLIC HYDRAZONES BELOW THE MELTING POINT OF NEAT REACTANTS: JOURNAL ARTICLE

Science.gov (United States)

NRMRL-CIN-1437 Jeselnik, M., Varma*, R.S., Polanc, S., and Kocevar, M. Catalyst-free Reactions under Solvent-fee Conditions: Microwave-assisted Synthesis of Heterocyclic Hydrazones below the Melting Point of Neat Reactants. Published in: Chemical Communications 18:1716-1717 (200...

Low-energy d+d fusion reactions via the Trojan Horse Method

Energy Technology Data Exchange (ETDEWEB)

Tumino, A., E-mail: tumino@lns.infn.it [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy); Universita degli Studi di Enna ' Kore' , Enna (Italy); Spitaleri, C. [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy); Mukhamedzhanov, A.M. [Cyclotron Institute Texas A and M University, College Station, TX (United States); Typel, S. [Excellence Cluster Universe, Technische Universitaet Muenchen, Garching (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie, Darmstadt (Germany); Aliotta, M. [School of Physics and Astronomy, University of Edinburgh, Edinburgh, Scotland (United Kingdom); Scottish Universities Physics Alliance (United Kingdom); Burjan, V. [Nuclear Physics Institute of ASCR, Rez near Prague (Czech Republic); Gimenez del Santo, M. [Departamento de Fisica Nuclear, Universitade de Sao Paulo, Sao Paulo (Brazil); Kiss, G.G. [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy); ATOMKI, Debrecen (Hungary); Kroha, V.; Hons, Z. [Nuclear Physics Institute of ASCR, Rez near Prague (Czech Republic); La Cognata, M.; Lamia, L. [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy); Mrazek, J. [Nuclear Physics Institute of ASCR, Rez near Prague (Czech Republic); Pizzone, R.G. [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy); Piskor, S. [Nuclear Physics Institute of ASCR, Rez (Czech Republic); Rapisarda, G.G.; Romano, S.; Sergi, M.L.; Sparta, R. [Laboratori Nazionali del Sud, INFN, and Dipartimento di Fisica e Astronomia, Universita di Catania, Catania (Italy)

2011-06-06

The bare nucleus S(E) factors for the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured for the first time via the Trojan Horse Method off the proton in {sup 3}He from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre-Main-Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Low-energy d+d fusion reactions via the Trojan Horse Method

International Nuclear Information System (INIS)

Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A.M.; Typel, S.; Aliotta, M.; Burjan, V.; Gimenez del Santo, M.; Kiss, G.G.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Mrazek, J.; Pizzone, R.G.; Piskor, S.; Rapisarda, G.G.; Romano, S.; Sergi, M.L.; Sparta, R.

2011-01-01

The bare nucleus S(E) factors for the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions have been measured for the first time via the Trojan Horse Method off the proton in 3 He from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre-Main-Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Few helium atoms in quasi two-dimensional space

International Nuclear Information System (INIS)

Kilic, Srecko; Vranjes, Leandra

2003-01-01

Two, three and four 3 He and 4 He atoms in quasi two-dimensional space above graphite and cesium surfaces and in 'harmonic' potential perpendicular to the surface have been studied. Using some previously examined variational wave functions and the Diffusion Monte Carlo procedure, it has been shown that all molecules: dimers, trimers and tetramers, are bound more strongly than in pure two- and three-dimensional space. The enhancement of binding with respect to unrestricted space is more pronounced on cesium than on graphite. Furthermore, for 3 He 3 ( 3 He 4 ) on all studied surfaces, there is an indication that the configuration of a dimer and a 'free' particle (two dimers) may be equivalently established

Meaurement of the target single-spin asymmetry in quasi-elastic region from the reaction {sup 3}He{up_arrow}(e,e')

Energy Technology Data Exchange (ETDEWEB)

Zhang, Yawei [Rutgers

2013-10-01

A measurement of the inclusive target single-spin asymmetry has been performed using the quasi-elastic {sup 3}He{up_arrow}(e,e') reaction with a vertically polarized {sup 3}He target at Q{sup 2} values of 0.13, 0.46 and 0.97 GeV{sup 2}. This asymmetry vanishes under the one photon exchange assumption. But the interference between two-photon exchange and one-photon exchange gives rise to an imaginary amplitude, so that a non-zero A{sub y} is allowed. The experiment, conducted in Hall A of Jefferson Laboratory in 2009, used two independent spectrometers to simultaneously measure the target single-spin asymmetry. Using the effective polarization approximation, the neutron single-spin asymmetries were extracted from the measured {sup 3}He asymmetries. The measurement is to establish a non-vanishing A{sub y}. Non-zero asymmetries were observed at all Q{sup 2} points, and the overall precision is an order of magnitude improved over the existing proton data. The data provide new constraints on Generalized Parton Distribution (GPD) models and new information on the dynamics of the two-photon exchange process.

Research and design of quasi-optical mode converter

International Nuclear Information System (INIS)

Liu Jianwei; Zhao Qing

2013-01-01

This paper presents a quasi-optical mode converter which can convert the output mode of gyrotrons and other high-power microwave oscillators into quasi-Gaussian beam, aiming to achieve transverse output of quasi-Gaussian beam TEM 00 mode. First, we analyze mode propagation in the waveguide and the working mechanism of the Vlasov launcher. Then the radiation fields are calculated using vector diffraction theory. At last a quasi-optical mode converter is designed to convert the 94 GHz, TE 62 mode millimeter wave into quasi-Gaussian beam with programming method. The results prove that quasi-Gaussian mode can be obtained at the output window with a simple Vlasov launcher and two mirrors, and the power transmission efficiency of the quasi-optical mode converter reaches to 87.5%. (authors)

One step synthesis of chlorine-free Pt/Nitrogen-doped graphene composite for oxygen reduction reaction

KAUST Repository

Varga, Tamás

2018-03-14

Chlorine-free Platinum/nitrogen-doped graphene oxygen reduction reaction catalysts were synthesized by a one step method of annealing a mixture of platinum acetylacetonate and graphene oxide under ammonia atmosphere. Nanoparticles with close to the ideal particle size for oxygen reduction reaction (ORR) were formed, i.e., with diameter of 3–4 nm (500 and 600 °C) and 6 nm (700 °C). X-ray photoelectron spectroscopy confirmed the successful introduction of both pyridinic and pyrrolic type nitrogen moieties into the graphene layers, which indicates a strong interaction between the nanoparticles and the graphene layers. The electrocatalytic activity of glassy carbon electrodes (GCE) modified with the synthesized Pt/NG samples for oxygen reduction was compared to that of a platinum/carbon black catalyst modified electrode in acidic and alkaline media. Based on the measured limiting current densities and calculated electron transfer number, the highest activity was measured in acidic and alkaline media on the samples annealed at 600 and 700 °C, respectively.

DEF: an automated dead-end filling approach based on quasi-endosymbiosis.

Science.gov (United States)

Liu, Lili; Zhang, Zijun; Sheng, Taotao; Chen, Ming

2017-02-01

Gap filling for the reconstruction of metabolic networks is to restore the connectivity of metabolites via finding high-confidence reactions that could be missed in target organism. Current methods for gap filling either fall into the network topology or have limited capability in finding missing reactions that are indirectly related to dead-end metabolites but of biological importance to the target model. We present an automated dead-end filling (DEF) approach, which is derived from the wisdom of endosymbiosis theory, to fill gaps by finding the most efficient dead-end utilization paths in a constructed quasi-endosymbiosis model. The recalls of reactions and dead ends of DEF reach around 73% and 86%, respectively. This method is capable of finding indirectly dead-end-related reactions with biological importance for the target organism and is applicable to any given metabolic model. In the E. coli iJR904 model, for instance, about 42% of the dead-end metabolites were fixed by our proposed method. DEF is publicly available at http://bis.zju.edu.cn/DEF/. mchen@zju.edu.cn Supplementary data are available at Bioinformatics online.

Study of the light particles emitted in coincidence with quasi-projectiles in the Ar+Au reaction at 35 MeV per nucleon

International Nuclear Information System (INIS)

Oubahadou, Ahmed

1986-01-01

The detection of numerous light particles forwardly emitted in nuclear reactions with heavy ions intermediate energies has originated the building of a scintillator multidetector (96 detectors) called the 'hodoscope' in G.A.N.I.L. (the largest national accelerator of heavy ions). The main problem of these multidetectors is the extraction of data. We have therefore established a simple technique to extract the charge and speed values from the amount of detected light and from the times of flight. The multidetector combined with a telescope has allowed us to carry out semi-exclusive measurements of the reaction products in Ar+Au system at 35 MeV per nucleon. This work is limited to detection through a telescope of the light fragments (quasi-projectiles); the analysis of energy spectra at different angles shows that the fragments seem to be emitted from two sources: one with a speed close to that of the projectile, the other with a half of that speed. For the study of coincidences we have grouped together the light particles of hodoscope into 4 classes according to their charge numbers and we have considered two special domains (the central part and the outer part). For the telescope we group too the incidents according to their charge (4 classes) and their speed ('rapid' or 'relaxed'). The multiplicity in each case is calculated and eventually allocated according to the speed measured in the telescope. The spectra are analysed in the framework of evaporation by moved Boltzmann hot sources. The origin of 'relaxed' fragments is studied in the context of different theoretical models. (author) [fr

Ultrasound-assisted phase-transfer catalysis method in an aqueous medium to promote the Knoevenagel reaction: advantages over the conventional and microwave-assisted solvent-free/catalyst-free method.

Science.gov (United States)

De-la-Torre, Pedro; Osorio, Edison; Alzate-Morales, Jans H; Caballero, Julio; Trilleras, Jorge; Astudillo-Saavedra, Luis; Brito, Iván; Cárdenas, Alejandro; Quiroga, Jairo; Gutiérrez, Margarita

2014-09-01

Given the broad spectrum of uses of acrylonitrile derivatives as fluorescent probes, AChE inhibitors, and others, it is necessary to find easy, efficient and simple methods to synthesize and diversify these compounds. We report the results of a comparative study of the effects of three techniques on the reactions between heterocyclic aldehydes and 2-(benzo[d]thiazol-2-yl)acetonitrile: stirring; ultrasound coupled to PTC conditions (US-PTC); and MW irradiation (MWI) under solvent and catalyst-free conditions. The effects of conditions on reaction parameters were evaluated and compared in terms of reaction time, yield, purity and outcomes. The US-PTC method is more efficient than the MWI and conventional methods. The reaction times were considerably shorter, with high yields (>90%) and good levels of purity. In addition, X-ray diffraction analysis and quantum mechanical calculations, at the level of density functional theory (DFT), ratify obtaining acrylonitrile isomers with E configurations. The crystal structure of 3c is stabilized by weak C-Ho⋯N intermolecular interactions (Ho⋯NC=2.45 Å, Co⋯NC=3.348(3) Å, Ho⋯NC=162°), forming centrosymmetric ring R2(2) (20) along the crystallographic a axis. Copyright © 2014 Elsevier B.V. All rights reserved.

Brownian quasi-particles in statistical physics

International Nuclear Information System (INIS)

Tellez-Arenas, A.; Fronteau, J.; Combis, P.

1979-01-01

The idea of a Brownian quasi-particle and the associated differentiable flow (with nonselfadjoint forces) are used here in the context of a stochastic description of the approach towards statistical equilibrium. We show that this quasi-particle flow acquires, at equilibrium, the principal properties of a conservative Hamiltonian flow. Thus the model of Brownian quasi-particles permits us to establish a link between the stochastic description and the Gibbs description of statistical equilibrium

Superheavy nuclei and quasi-atoms produced in collisions of transuranium ions

International Nuclear Information System (INIS)

Zagrebaev, V.; Oganessian, Y.; Itkis, M.; Greiner, W.

2005-01-01

For near-barrier collisions of heavy nuclei it is very important to perform a combined (unified) analysis of all strongly coupled channels: deep-inelastic scattering, quasi-fission, fusion and regular fission. This ambitious goal has now become possible within our new approach. The standard (most important) degrees of freedom are used and a unified potential energy surface is derived determining evolution of the nuclear system in all the channels. This potential has also appropriate values of the Coulomb barriers in the entrance channel and proper values of the fission barriers in the exit one. A unified set of dynamic Langevin type equations is proposed for the simultaneous description of DI and fusion-fission processes including nucleon transfer at all reaction stages. For the first time, the whole evolution of the heavy nuclear system can be traced starting from the approaching stage and ending in DI, QF, and/or fusion-fission channels. The calculated mass, charge, energy and angular distributions of the reaction products agree well with available experimental data. Satisfactory agreement of the first calculations with experiments gives us hope not only to obtain rather accurate predictions for the probabilities of superheavy element formation in near-barrier fusion reactions but also to clarify much better than before the mechanisms of quasi-fission and fusion-fission processes. Also the determination of such fundamental characteristics of nuclear dynamics as the nuclear viscosity and the nucleon transfer rate is now possible. Low energy collisions of very heavy nuclei ( 238 U+ 238 U, 232 Th+ 250 Cf and 238 U + 248 Cm) have been studied within the proposed dynamical model. The multidimensional potential energy surfaces of such systems are rather complicated due to the shell effects and dynamic deformations, even if there is no distinct potential pocket. We found that at low near barrier collision energies these very heavy nuclei, after touching their surfaces

Real forms of non-linear superconformal and quasi-superconformal algebras and their unified realization

International Nuclear Information System (INIS)

Bina, B.; Guenaydin, M.

1997-01-01

We give a complete classification of the real forms of simple non-linear superconformal algebras (SCA) and quasi-superconformal algebras (QSCA) and present a unified realization of these algebras with simple symmetry groups. This classification is achieved by establishing a correspondence between simple non-linear QSCA's and SCA's and quaternionic and super-quaternionic symmetric spaces of simple Lie groups and Lie supergroups, respectively. The unified realization we present involves a dimension zero scalar field (dilaton), dimension-1 symmetry currents, and dimension-1/2 free bosons for QSCA's and dimension-1/2 free fermions for SCA's. The free bosons and fermions are associated with the quaternionic and super-quaternionic symmetric spaces of corresponding Lie groups and Lie supergroups, respectively. We conclude with a discussion of possible applications of our results. (orig.)

Quasi-periodic luminosity variations in dwarf novae

International Nuclear Information System (INIS)

Robinson, E.L.; Nather, R.E.

1979-01-01

We have identified quasi-periodic oscillations in the light curves of five dwarf novae--U Gem, SS Cyg, RU Peg, KT Per, and VW Hyi-- and in the light curve of the quasi-periodic X-ray source Sco X-1. The mean periods of the quasi-periodic oscillations range from 32 s in SS Cyg to 147 s in KT Per and 165 s in Sco X-l. Their amplitudes are typically 0.005--0.0l mag. The properties of the quasi-periodic oscillations are represented well by a second-order autoregressive process. Use of this representation shows that the length of time over which the quasi-periodic oscillations maintain coherence is very short, typically 3--5 cycles of the oscillations. Thus the quasi-periodic oscillations can be distinguished from the short-period coherent oscillations in dwarf novae, which are usually interpreted as white dwarf pulsations, because t the periods of the quasi-periodic oscillations are 3--4 times longer and their coherence time is much shorter. The quasi-periodic oscillations occur in dwarf novae only during their eruptions and occur in Sco X-l only when the system is bright. The presence of the oscillations does not depend on the subclass to which a dwarf nova belongs or on the morphology of the individual eruptions. We argue that their short periods, their short coherence times, and their presence in Sco X-l require that the quasi-periodic oscillations be produced by the accretion disk, and not by the stars or by the boundary between the a accretion disk and its central star

Neutron emission in heavy ion induced reactions at 10 MeV/A

International Nuclear Information System (INIS)

Benrachi, F.

1984-01-01

The neutron emission mechanism in reactions induced by heavy ions (in which a high energy component had already been observed) has been investigated. To get informations on the desexcitation mode which is responsible of that component and on the sharing of the excitation energy between the fragments, a very disymmetric system 14 N+ 165 Ho at E inc=10,5 MeV/a.m.u. was studied. The neutrons are preferentially emitted forward in the direction of the quasi-projectile and are in average highly energetic. The calculations of the excitation energies and of the multiplicities showed that the detected events are mainly coming from peripheral processes with a weak angular momentum exchange. The analysis of the energy spectra and of the invariance cross section maps pointed out a strong asymmetry and then proved that at least two neutron sources were involved in that reaction mechanism. Studying these two components in terms of a sequential mechanism i.e. an emission from the totally equilibrated quasi-target and quasi-projectile, the whole neutron emission could not be explained. To interpret the experimental results, non statistical models with a preequilibrium emission at the collision beginning were used [fr

Preparation of carrier-free Phosphorus-32 from 31P(n,γ )32P reaction

International Nuclear Information System (INIS)

Rafii, H.; Arbab Zavar, H.; Avaz Moghadam, S.

1999-01-01

The phosphorus-32 is a widely used radioisotope as as tracer or radioactive source in nuclear medicine, and in many other biotechnical applications. In this paper, preparation of carrier-free P-32 with a high specific activity was studied by 31 P(n, γ) 32 P reaction. The anhydrous KH 2 PO 4 , as a target material, was irradiated in Tehran Nuclear Research Reactor with a neutron flux of 2.5x10 13 n/cm 2 .sec. The P-32 produced as a result of Szilard-Chalmers effect was isolated from the target by a strong anion exchange resin, (Dowex - X 8). The quality control of the product shows a high chemical, and radiochemical purity (>98%) and the increase specific activity depends on the irradiation time

Generalized quasi variational inequalities

Energy Technology Data Exchange (ETDEWEB)

Noor, M.A. [King Saud Univ., Riyadh (Saudi Arabia)

1996-12-31

In this paper, we establish the equivalence between the generalized quasi variational inequalities and the generalized implicit Wiener-Hopf equations using essentially the projection technique. This equivalence is used to suggest and analyze a number of new iterative algorithms for solving generalized quasi variational inequalities and the related complementarity problems. The convergence criteria is also considered. The results proved in this paper represent a significant improvement and refinement of the previously known results.

LPTAU, Quasi Random Sequence Generator

International Nuclear Information System (INIS)

Sobol, Ilya M.

1993-01-01

1 - Description of program or function: LPTAU generates quasi random sequences. These are uniformly distributed sets of L=M N points in the N-dimensional unit cube: I N =[0,1]x...x[0,1]. These sequences are used as nodes for multidimensional integration; as searching points in global optimization; as trial points in multi-criteria decision making; as quasi-random points for quasi Monte Carlo algorithms. 2 - Method of solution: Uses LP-TAU sequence generation (see references). 3 - Restrictions on the complexity of the problem: The number of points that can be generated is L 30 . The dimension of the space cannot exceed 51

Supersonic quasi-axisymmetric vortex breakdown

Science.gov (United States)

Kandil, Osama A.; Kandil, Hamdy A.; Liu, C. H.

1991-01-01

An extensive computational study of supersonic quasi-axisymmetric vortex breakdown in a configured circular duct is presented. The unsteady, compressible, full Navier-Stokes (NS) equations are used. The NS equations are solved for the quasi-axisymmetric flows using an implicit, upwind, flux difference splitting, finite volume scheme. The quasi-axisymmetric solutions are time accurate and are obtained by forcing the components of the flowfield vector to be equal on two axial planes, which are in close proximity of each other. The effect of Reynolds number, for laminar flows, on the evolution and persistence of vortex breakdown, is studied. Finally, the effect of swirl ration at the duct inlet is investigated.

Positron creation in superheavy quasi-molecules

International Nuclear Information System (INIS)

Mueller, B.

1976-01-01

The review of positron creation in superheavy quasi-molecules includes spontaneous positron emission from superheavy atoms, supercritical quasi-molecules, background effects, and some implications of the new ground state. 66 references

Quantum Quasi-Paradoxes and Quantum Sorites Paradoxes

CERN Document Server

Smarandache, F

1997-01-01

There can be generated many paradoxes or quasi-paradoxes that may occur from the combination of quantum and non-quantum worlds in physics. Even the passage from the micro-cosmos to the macro-cosmos, and reciprocally, can generate unsolved questions or counter-intuitive ideas. We define a quasi-paradox as a statement which has a prima facie self-contradictory support or an explicit contradiction, but which is not completely proven as a paradox. We present herein four elementary quantum quasi-paradoxes and their corresponding quantum Sorites paradoxes, which form a class of quantum quasi-paradoxes.

Quasi-monoenergetic neutron energy spectra for 246 and 389 MeV (7)Li(p,n) reactions at angles from 0 degrees to 300 degrees

CERN Document Server

Iwamoto, Y; Nakamura, T; Nakashima, H; Mares, V; Itoga, T; Matsumoto, T; Nakane, Y; Feldbaumer, E; Jaegerhofer, L; Pioch, C; Tamii, A; Satoh, D; Masuda, A; Sato, T; Iwase, H; Yashima, H; Nishiyama, J; Hagiwara, M; Hatanaka, K; Sakamoto, Y

2011-01-01

The authors measured the neutron energy spectra of a quasi-monoenergetic (7)Li(p,n) neutron source with 246 and 389 MeV protons set at seven angles (0 degrees, 2.5 degrees, 5 degrees, 10 degrees, 15 degrees, 20 degrees and 30 degrees), using a time-of-flight (TOF) method employing organic scintillators NE213 at the Research Center for Nuclear Physics (RCNP) of Osaka University. The energy spectra of the source neutrons were precisely deduced down to 2 MeV at 0 degrees and 10 MeV at other angles. The cross-sections of the peak neutron production reaction at 0 degrees were on the 35-40 mb line of other experimental data, and the peak neutron angular distribution agreed well with the Taddeucci formula. Neutron energy spectra below 100 MeV at all angles were comparable, but the shapes of the continuum above 150 MeV changed considerably with the angle. In order to consider the correction required to derive the response in the peak region from the measured total response for high-energy neutron monitors such as DAR...

Yrast four-quasi-particle states in 182W

International Nuclear Information System (INIS)

Regan, P.H.; Walker, P.M.; Dracoulis, G.D.; Anderssen, S.S.; Byrne, A.P.; Davidson, P.M.; Kibedi, T.; Lane, G.J.; Stuchbery, A.E.; Yeung, K.C.

1994-01-01

High-spin states of the stable isotope 182 W have been studied using the reactions 176 Yb( 13 C,α3n) 182 W and 176 Yb( 9 Be,3n) 182 W at beam energies of 65 and 40 MeV, respectively. Three, possibly four, new intrinsic states at high spins have been observed corresponding to different high-K four-quasi-particle structures. The K π =15 + and 17 - levels have lifetimes of 78(15) and 25(10) ns, respectively. Rotational bands are observed built on the K π =16 + and 17 - yrast states. The coupling of Nilsson orbitals which give rise to high-K states at the yrast line and the K-forbiddenness of the K π =15 + isomeric decay are discussed. (orig.)

Stochastic simulation of enzyme-catalyzed reactions with disparate timescales.

Science.gov (United States)

Barik, Debashis; Paul, Mark R; Baumann, William T; Cao, Yang; Tyson, John J

2008-10-01

Many physiological characteristics of living cells are regulated by protein interaction networks. Because the total numbers of these protein species can be small, molecular noise can have significant effects on the dynamical properties of a regulatory network. Computing these stochastic effects is made difficult by the large timescale separations typical of protein interactions (e.g., complex formation may occur in fractions of a second, whereas catalytic conversions may take minutes). Exact stochastic simulation may be very inefficient under these circumstances, and methods for speeding up the simulation without sacrificing accuracy have been widely studied. We show that the "total quasi-steady-state approximation" for enzyme-catalyzed reactions provides a useful framework for efficient and accurate stochastic simulations. The method is applied to three examples: a simple enzyme-catalyzed reaction where enzyme and substrate have comparable abundances, a Goldbeter-Koshland switch, where a kinase and phosphatase regulate the phosphorylation state of a common substrate, and coupled Goldbeter-Koshland switches that exhibit bistability. Simulations based on the total quasi-steady-state approximation accurately capture the steady-state probability distributions of all components of these reaction networks. In many respects, the approximation also faithfully reproduces time-dependent aspects of the fluctuations. The method is accurate even under conditions of poor timescale separation.

Quasi experimental designs in pharmacist intervention research.

Science.gov (United States)

Krass, Ines

2016-06-01

Background In the field of pharmacist intervention research it is often difficult to conform to the rigorous requirements of the "true experimental" models, especially the requirement of randomization. When randomization is not feasible, a practice based researcher can choose from a range of "quasi-experimental designs" i.e., non-randomised and at time non controlled. Objective The aim of this article was to provide an overview of quasi-experimental designs, discuss their strengths and weaknesses and to investigate their application in pharmacist intervention research over the previous decade. Results In the literature quasi experimental studies may be classified into five broad categories: quasi-experimental design without control groups; quasi-experimental design that use control groups with no pre-test; quasi-experimental design that use control groups and pre-tests; interrupted time series and stepped wedge designs. Quasi-experimental study design has consistently featured in the evolution of pharmacist intervention research. The most commonly applied of all quasi experimental designs in the practice based research literature are the one group pre-post-test design and the non-equivalent control group design i.e., (untreated control group with dependent pre-tests and post-tests) and have been used to test the impact of pharmacist interventions in general medications management as well as in specific disease states. Conclusion Quasi experimental studies have a role to play as proof of concept, in the pilot phases of interventions when testing different intervention components, especially in complex interventions. They serve to develop an understanding of possible intervention effects: while in isolation they yield weak evidence of clinical efficacy, taken collectively, they help build a body of evidence in support of the value of pharmacist interventions across different practice settings and countries. However, when a traditional RCT is not feasible for

Free radical reaction pathway, thermohemistry of peracetic acid homolysis and its application for phenol degradation: spectroscopic sti=udy and quantum chemistry calculations

NARCIS (Netherlands)

Rokhina, E.V.; Makarova, K.; Golovina, E.A.; As, van H.; Virkutyte, J.

2010-01-01

The homolysis of peracetic acid (PAA) as a relevant source of free radicals (e.g., •OH) was studied in detail. Radicals formed as a result of chain radical reactions were detected with electron spin resonance and nuclear magnetic resonance spin trapping techniques and subsequently identified by

Evolution of protein bound Maillard reaction end-products and free Amadori compounds in low lactose milk in presence of fructosamine oxidase I.

Science.gov (United States)

Troise, Antonio Dario; Buonanno, Martina; Fiore, Alberto; Monti, Simona Maria; Fogliano, Vincenzo

2016-12-01

Thermal treatments and storage influence milk quality, particularly in low lactose milk as the higher concentration of reducing sugars can lead to the increased formation of the Maillard reaction products (MRPs). The control of the Amadori products (APs) formation is the key step to mitigate the Maillard reaction (MR) in milk. The use of fructosamine oxidases, (Faox) provided promising results. In this paper, the effects of Faox I were evaluated by monitoring the concentration of free and bound MRPs in low lactose milk during shelf life. Results showed that the enzyme reduced the formation of protein-bound MRPs down to 79% after six days at 37°C. Faox I lowered the glycation of almost all the free amino acids resulting effective on basic and polar amino acids. Data here reported corroborate previous findings on the potentiality of Faox enzymes in controlling the early stage of the MR in foods. Copyright © 2016 Elsevier Ltd. All rights reserved.

Quantum Quasi-Paradoxes and Quantum Sorites Paradoxes

Directory of Open Access Journals (Sweden)

Smarandache F.

2005-04-01

Full Text Available There can be generated many paradoxes or quasi-paradoxes that may occur from the combination of quantum and non-quantum worlds in physics. Even the passage from the micro-cosmos to the macro-cosmos, and reciprocally, can generate unsolved questions or counter-intuitive ideas. We define a quasi-paradox as a statement which has a prima facie self-contradictory support or an explicit contradiction, but which is not completely proven as a paradox. We present herein four elementary quantum quasi-paradoxes and their corresponding quantum Sorites paradoxes, which form a class of quantum quasi-paradoxes.

Free convective heat transfer with hall effects, heat absorption and chemical reaction over an accelerated moving plate in a rotating system

Energy Technology Data Exchange (ETDEWEB)

Hussain, S.M., E-mail: hussain.modassir@yahoo.com [Department of Mathematics, OP Jindal University, Raigarh 496109 (India); Jain, J., E-mail: jj.28481@gmail.com [Department of Mathematics, OP Jindal University, Raigarh 496109 (India); Seth, G.S., E-mail: gsseth_ism@yahoo.com [Department of Applied Mathematics, Indian School of Mines, Dhanbad 826004 (India); Rashidi, M.M., E-mail: mm_rashidi@yahoo.com [Shanghai Key Lab of Vehicle Aerodynamics and Vehicle Thermal Management System, Tongji University, Shanghai 201804 (China)

2017-01-15

The unsteady MHD free convective heat and mass transfer flow of an electrically conducting, viscous and incompressible fluid over an accelerated moving vertical plate in the presence of heat absorption and chemical reaction with ramped temperature and ramped surface concentration through a porous medium in a rotating system is studied, taking Hall effects into account. The governing equations are solved analytically with the help of Laplace transform technique. The unified closed-form expressions are obtained for fluid velocity, fluid temperature, species concentration, skin friction, Nusselt number and Sherwood numbers. The effects of various parameters on fluid velocity, fluid temperature and species concentration are discussed by graphs whereas numerical values of skin friction, Nusselt and Sherwood numbers are presented in tabular form for different values of pertinent flow parameters. The numerical results are also compared with free convective flow near ramped temperature plate with ramped surface concentration with the corresponding flow near isothermal plate with uniform surface concentration. - Highlights: • Magnetic field, Hall current, rotation and chemical reaction play vital role on flow field. • Hall current tends to accelerate secondary fluid velocity in the boundary layer region. • Rotation tends to retard primary fluid velocity throughout the boundary layer region. • Rotation and chemical reaction tend to enhance primary skin friction. • Solutal buoyancy force and permeability of medium reduce primary skin friction.

Tin-free enantioselective radical reactions using silanes.

Science.gov (United States)

Sibi, Mukund P; Yang, Yong-Hua; Lee, Sunggi

2008-12-04

Readily available hexyl silane is an excellent choice as a H-atom donor and a chain carrier in Lewis acid mediated enantioselective radical reactions. Conjugate radical additions to alpha,beta-unsaturated imides at room temperature proceed in good yields and excellent enantioselectivities.

Effective dynamics along given reaction coordinates, and reaction rate theory.

Science.gov (United States)

Zhang, Wei; Hartmann, Carsten; Schütte, Christof

2016-12-22

In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free energies or reaction rates. In this context, the effective dynamics that is induced by the full dynamics on the reaction coordinate space has attracted considerable attention in the literature. In this article, we contribute to this discussion: we first show that if we start with an ergodic diffusion process whose invariant measure is unique then these properties are inherited by the effective dynamics. Then, we give equations for the effective dynamics, discuss whether the dominant timescales and reaction rates inferred from the effective dynamics are accurate approximations of such quantities for the full dynamics, and compare our findings to results from approaches like Mori-Zwanzig, averaging, or homogenization. Finally, by discussing the algorithmic realization of the effective dynamics, we demonstrate that recent algorithmic techniques like the "equation-free" approach and the "heterogeneous multiscale method" can be seen as special cases of our approach.

Boundary-layer development and transition due to free-stream exothermic reactions in shock-induced flows

Science.gov (United States)

Hall, J. L.

1974-01-01

A study of the effect of free-stream thermal-energy release from shock-induced exothermic reactions on boundary-layer development and transition is presented. The flow model is that of a boundary layer developing behind a moving shock wave in two-dimensional unsteady flow over a shock-tube wall. Matched sets of combustible hydrogen-oxygen-nitrogen mixtures and inert hydrogen-nitrogen mixtures were used to obtain transition data over a range of transition Reynolds numbers from 1,100,000 to 21,300,000. The heat-energy is shown to significantly stabilize the boundary layer without changing its development character. A method for application of this data to flat-plate steady flows is included.

Mass formula for quasi-black holes

International Nuclear Information System (INIS)

Lemos, Jose P. S.; Zaslavskii, Oleg B.

2008-01-01

A quasi-black hole, either nonextremal or extremal, can be broadly defined as the limiting configuration of a body when its boundary approaches the body's quasihorizon. We consider the mass contributions and the mass formula for a static quasi-black hole. The analysis involves careful scrutiny of the surface stresses when the limiting configuration is reached. It is shown that there exists a strict correspondence between the mass formulas for quasi-black holes and pure black holes. This perfect parallelism exists in spite of the difference in derivation and meaning of the formulas in both cases. For extremal quasi-black holes the finite surface stresses give zero contribution to the total mass. This leads to a very special version of Abraham-Lorentz electron in general relativity in which the total mass has pure electromagnetic origin in spite of the presence of bare stresses.

Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.

Science.gov (United States)

Pantazis, Yannis; Katsoulakis, Markos A; Vlachos, Dionisios G

2013-10-22

Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump stochastic processes with a large number of parameters that need to be suitably calibrated against experimental data. In this direction, the parameter sensitivity analysis of reaction networks is an essential mathematical and computational tool, yielding information regarding the robustness and the identifiability of model parameters. However, existing sensitivity analysis approaches such as variants of the finite difference method can have an overwhelming computational cost in models with a high-dimensional parameter space. We develop a sensitivity analysis methodology suitable for complex stochastic reaction networks with a large number of parameters. The proposed approach is based on Information Theory methods and relies on the quantification of information loss due to parameter perturbations between time-series distributions. For this reason, we need to work on path-space, i.e., the set consisting of all stochastic trajectories, hence the proposed approach is referred to as "pathwise". The pathwise sensitivity analysis method is realized by employing the rigorously-derived Relative Entropy Rate, which is directly computable from the propensity functions. A key aspect of the method is that an associated pathwise Fisher Information Matrix (FIM) is defined, which in turn constitutes a gradient-free approach to quantifying parameter sensitivities. The structure of the FIM turns out to be block-diagonal, revealing hidden parameter dependencies and sensitivities in reaction networks. As a gradient-free method, the proposed sensitivity analysis provides a significant advantage when dealing with complex stochastic systems with a large number of parameters. In addition, the knowledge of the structure of the FIM can allow to efficiently address

Prompt gamma ray diagnostics and enhanced hadron-therapy using neutron-free nuclear reactions

Science.gov (United States)

Giuffrida, L.; Margarone, D.; Cirrone, G. A. P.; Picciotto, A.; Cuttone, G.; Korn, G.

2016-10-01

We propose a series of simulations about the potential use of Boron isotopes to trigger neutron-free (aneutronic) nuclear reactions in cancer cells through the interaction with an incoming energetic proton beam, thus resulting in the emission of characteristic prompt gamma radiation (429 keV, 718 keV and 1435 keV). Furthermore assuming that the Boron isotopes are absorbed in cancer cells, the three alpha-particles produced in each p-11B aneutronic nuclear fusion reactions can potentially result in the enhancement of the biological dose absorbed in the tumor region since these multi-MeV alpha-particles are stopped inside the single cancer cell, thus allowing to spare the surrounding tissues. Although a similar approach based on the use of 11B nuclei has been proposed in [Yoon et al. Applied Physics Letters 105, 223507 (2014)], our work demonstrate, using Monte Carlo simulations, the crucial importance of the use of 10B nuclei (in a solution containing also 11B) for the generation of prompt gamma-rays, which can be applied to medical imaging. In fact, we demonstrate that the use of 10B nuclei can enhance the intensity of the 718 keV gamma-ray peak more than 30 times compared to the solution containing only 11B nuclei. A detailed explanation of the origin of the different prompt gamma-rays, as well as of their application as real-time diagnostics during a potential cancer treatment, is here discussed.

Experimental and Computational Studies of the Superconducting Phase Transition of Quasi 1D Superconductors

Science.gov (United States)

Wong, Chi Ho

In this PhD project, the feasibility of establishing a state with vanishing resistance in quasi-1D superconductors are studied. In the first stage, extrinsic quasi-1D superconductors based on composite materials made by metallic nanowire arrays embedded in mesoporous silica substrates, such as Pb-SBA-15 and NbN-SBA-15 (fabricated by a Chemical Vapor Deposition technique) are investigated. Two impressive outcomes in Pb-SBA-15 are found, including an enormous enhancement of the upper critical field from 0.08T to 14T and an increase of the superconducting transition temperature onset s from 7.2 to 11K. The second stage is to apply Monte Carlo simulations to model the quasi-1D superconductor, considering its penetration depth, coherence length, defects, electron mean free path, tunneling barrier and insulating width between the nanowires. The Monte Carlo results provide a clear picture to approach to stage 3, which represents a study of the intrinsic quasi-1D superconductor Sc3CoC4, which contains parallel arrays of 1D superconducting CoC4 ribbons with weak transverse Josephson or Proximity interaction, embedded in a Sc matrix. According to our previous work, a BKT transition in the lateral plane is believed to be the physics behind the vanishing resistance of quasi-1D superconductors, because it activates a dimensional crossover from a 1D fluctuating superconductivity at high temperature to a 3D bulk phase coherent state in the entire material at low temperatures. Moreover, we decided to study thin 1D Sn nanowires without substrate, which display very similar superconducting properties to Pb-SBA-15 with a strong critical field and Tc enhancement. Finally, a preliminary research on a novel quasi-2D superconductor formed by parallel 2D mercury sheets that are separated by organic molecules is presented. The latter material may represent a model system to study the effect of a layered structure, which is believed to be an effective ingredient to design high temperature

Modular coils and finite-β operation of a quasi-axially symmetric tokamak

International Nuclear Information System (INIS)

Drevlak, M.

1998-01-01

Quasi-axially symmetric tokamaks (QA tokamaks) are an extension of the conventional tokamak concept. In these devices the magnetic field strength is independent of the generalized toroidal magnetic co-ordinate even though the cross-sectional shape changes. An optimized plasma equilibrium belonging to the class of QA tokamaks has been proposed by Nuehrenberg. It features the small aspect ratio of a tokamak while allowing part of the rotational transform to be generated by the external field. In this article, two particular aspects of the viability of QA tokamaks are explored, namely the feasibility of modular coils and the possibility of maintaining quasi-axial symmetry in the free-boundary equilibria obtained with the coils found. A set of easily feasible modular coils for the configuration is presented. It was designed using the extended version of the NESCOIL code (MERKEL, P., Nucl. Fusion 27 (1987) 867). Using this coil system, free-boundary calculations of the plasma equilibrium were carried out using the NEMEC code (HIRSHMAN, S.P., VAN RIJ, W.I., MERKEL, P., Comput. Phys. Commun. 43 (1986) 143). It is observed that the effects of finite β and net toroidal plasma current can be compensated for with good precision by applying a vertical magnetic field and by separately adjusting the currents of the modular coils. A set of fully three dimensional (3-D) auxiliary coils is proposed to exert control on the rotational transform in the plasma. Deterioration of the quasi-axial symmetry induced by the auxiliary coils can be avoided by adequate adjustment of the currents in the primary coils. Finally, the neoclassical transport properties of the configuration are examined. It is observed that optimization with respect to confinement of the alpha particles can be maintained at operation with finite toroidal current if the aforementioned corrective measures are used. In this case, the neoclassical behaviour is shown to be very similar to that of a conventional tokamak

Quasi-exact solutions of nonlinear differential equations

OpenAIRE

Kudryashov, Nikolay A.; Kochanov, Mark B.

2014-01-01

The concept of quasi-exact solutions of nonlinear differential equations is introduced. Quasi-exact solution expands the idea of exact solution for additional values of parameters of differential equation. These solutions are approximate solutions of nonlinear differential equations but they are close to exact solutions. Quasi-exact solutions of the the Kuramoto--Sivashinsky, the Korteweg--de Vries--Burgers and the Kawahara equations are founded.

α-Bromodiazoacetamides – a new class of diazo compounds for catalyst-free, ambient temperature intramolecular C–H insertion reactions

Directory of Open Access Journals (Sweden)

Åsmund Kaupang

2013-07-01

Full Text Available In this work, we introduce a new class of halodiazocarbonyl compounds, α-halodiazoacetamides, which through a metal-free, ambient-temperature thermolysis perform intramolecular C–H insertions to produce α-halo-β-lactams. When carried out with α-bromodiazoacetamides bearing cyclic side chains, the thermolysis reaction affords bicyclic α-halo-β-lactams, in some cases in excellent yields, depending on the ring size and substitution pattern of the cyclic amide side chains.

Quasi-reference electrodes in confined electrochemical cells can result in in situ production of metallic nanoparticles.

Science.gov (United States)

Perera, Rukshan T; Rosenstein, Jacob K

2018-01-31

Nanoscale working electrodes and miniaturized electroanalytical devices are valuable platforms to probe molecular phenomena and perform chemical analyses. However, the inherent close distance of metallic electrodes integrated into a small volume of electrolyte can complicate classical electroanalytical techniques. In this study, we use a scanning nanopipette contact probe as a model miniaturized electrochemical cell to demonstrate measurable side effects of the reaction occurring at a quasi-reference electrode. We provide evidence for in situ generation of nanoparticles in the absence of any electroactive species and we critically analyze the origin, nucleation, dissolution and dynamic behavior of these nanoparticles as they appear at the working electrode. It is crucial to recognize the implications of using quasi-reference electrodes in confined electrochemical cells, in order to accurately interpret the results of nanoscale electrochemical experiments.

Bubble-free on-chip continuous-flow polymerase chain reaction: concept and application.

Science.gov (United States)

Wu, Wenming; Kang, Kyung-Tae; Lee, Nae Yoon

2011-06-07

Bubble formation inside a microscale channel is a significant problem in general microfluidic experiments. The problem becomes especially crucial when performing a polymerase chain reaction (PCR) on a chip which is subject to repetitive temperature changes. In this paper, we propose a bubble-free sample injection scheme applicable for continuous-flow PCR inside a glass/PDMS hybrid microfluidic chip, and attempt to provide a theoretical basis concerning bubble formation and elimination. Highly viscous paraffin oil plugs are employed in both the anterior and posterior ends of a sample plug, completely encapsulating the sample and eliminating possible nucleation sites for bubbles. In this way, internal channel pressure is increased, and vaporization of the sample is prevented, suppressing bubble formation. Use of an oil plug in the posterior end of the sample plug aids in maintaining a stable flow of a sample at a constant rate inside a heated microchannel throughout the entire reaction, as compared to using an air plug. By adopting the proposed sample injection scheme, we demonstrate various practical applications. On-chip continuous-flow PCR is performed employing genomic DNA extracted from a clinical single hair root sample, and its D1S80 locus is successfully amplified. Also, chip reusability is assessed using a plasmid vector. A single chip is used up to 10 times repeatedly without being destroyed, maintaining almost equal intensities of the resulting amplicons after each run, ensuring the reliability and reproducibility of the proposed sample injection scheme. In addition, the use of a commercially-available and highly cost-effective hot plate as a potential candidate for the heating source is investigated.

Pre-equilibrium particle decay in the photonuclear reactions

International Nuclear Information System (INIS)

Wu, J.R.; Chang, C.C.

1976-11-01

Calculations of particle energy spectra resulting from the photonuclear reactions at energies below the meson production threshold have been carried out in the framework of combining the pre-equilibrium exiton model and the quasi-deuteron model. A 2p-2h initial state in the exciton model is assumed because in the energy region above giant resonance the quasi-deuteron absorption is the dominant process. With these combined models, the subsequent secondary interactions of the emerging particle with the rest of the nucleus following the initial photon-nucleus interaction are appropriately taken into account. The experimental difference energy spectra of fast photoneutrons from several elements (Al, Cu, In, Sn, Ta, Pb, Bi and U) at bremsstrahlung energies of 55 and 85 MeV and the photoproton energy spectra from 12 C at bremsstrahlung energy 110 MeV were compared with the theoretical predictions. General agreements in both spectral shapes and cross sections are obtained. The relative yields of the reactions (γ, xn) resulting from monoenergetic photons on 127 I at 50, 100 and 150 MeV are also predicted reasonably well by the combined models together with the conventional evaporation theory

Quasi-local mass in the covariant Newtonian spacetime

International Nuclear Information System (INIS)

Wu, Y-H; Wang, C-H

2008-01-01

In general relativity, quasi-local energy-momentum expressions have been constructed from various formulae. However, the Newtonian theory of gravity gives a well-known and a unique quasi-local mass expression (surface integration). Since geometrical formulation of Newtonian gravity has been established in the covariant Newtonian spacetime, it provides a covariant approximation from relativistic to Newtonian theories. By using this approximation, we calculate the Komar integral, the Brown-York quasi-local energy and the Dougan-Mason quasi-local mass in the covariant Newtonian spacetime. It turns out that the Komar integral naturally gives the Newtonian quasi-local mass expression; however, further conditions (spherical symmetry) need to be made for Brown-York and Dougan-Mason expressions

Quasi-Experimental Designs for Causal Inference

Science.gov (United States)

Kim, Yongnam; Steiner, Peter

2016-01-01

When randomized experiments are infeasible, quasi-experimental designs can be exploited to evaluate causal treatment effects. The strongest quasi-experimental designs for causal inference are regression discontinuity designs, instrumental variable designs, matching and propensity score designs, and comparative interrupted time series designs. This…

Two-proton transfer reactions on even Ni and Zn isotopes

International Nuclear Information System (INIS)

Boucenna, A.; Kraus, L.; Linck, I.; Tsan Ung Chan

1988-01-01

Two-proton transfer reactions induced by 112 MeV 12 C ions on even Ni and Zn isotopes are found to be less selective than the analogous two-neutron transfer reactions induced on the same targets in a similar incident energy range. The additional collective aspects observed in the proton transfer are examined in view of a semiphenomenological model of two quasi-particles coupled to a triaxial asymmetric rotor. Tentative spin and parity assignments emerge from this comparison, from crude shell model calculations and from systematic trends

Photonic quasi-crystal terahertz lasers

Science.gov (United States)

Vitiello, Miriam Serena; Nobile, Michele; Ronzani, Alberto; Tredicucci, Alessandro; Castellano, Fabrizio; Talora, Valerio; Li, Lianhe; Linfield, Edmund H.; Davies, A. Giles

2014-12-01

Quasi-crystal structures do not present a full spatial periodicity but are nevertheless constructed starting from deterministic generation rules. When made of different dielectric materials, they often possess fascinating optical properties, which lie between those of periodic photonic crystals and those of a random arrangement of scatterers. Indeed, they can support extended band-like states with pseudogaps in the energy spectrum, but lacking translational invariance, they also intrinsically feature a pattern of ‘defects’, which can give rise to critically localized modes confined in space, similar to Anderson modes in random structures. If used as laser resonators, photonic quasi-crystals open up design possibilities that are simply not possible in a conventional periodic photonic crystal. In this letter, we exploit the concept of a 2D photonic quasi crystal in an electrically injected laser; specifically, we pattern the top surface of a terahertz quantum-cascade laser with a Penrose tiling of pentagonal rotational symmetry, reaching 0.1-0.2% wall-plug efficiencies and 65 mW peak output powers with characteristic surface-emitting conical beam profiles, result of the rich quasi-crystal Fourier spectrum.

Transient response in granular quasi-two-dimensional bounded heap flow.

Science.gov (United States)

Xiao, Hongyi; Ottino, Julio M; Lueptow, Richard M; Umbanhowar, Paul B

2017-10-01

We study the transition between steady flows of noncohesive granular materials in quasi-two-dimensional bounded heaps by suddenly changing the feed rate. In both experiments and simulations, the primary feature of the transition is a wedge of flowing particles that propagates downstream over the rising free surface with a wedge front velocity inversely proportional to the square root of time. An additional longer duration transient process continues after the wedge front reaches the downstream wall. The entire transition is well modeled as a moving boundary problem with a diffusionlike equation derived from local mass balance and a local relation between the flux and the surface slope.

Identifying driving factors for the establishment of cooperative GMO-free zones in Germany

OpenAIRE

Consmuller, Nicola; Beckmann, Volker; Petrick, Martin

2012-01-01

Since the end of the quasi-moratorium on genetically modified organisms (GMO) in the European Union in 2004, the establishment of GMO-free zones has become an EU wide phenomenon. In contrast to other European countries, Germany follows the concept of cooperative GMO-free zones where neighbouring farmers contractually refrain from GMO cultivation. In this article, we address the question which underlying factors could account for the establishment of cooperative GMO-free zones in Germany. Draw...

A Novel Activated-Charcoal-Doped Multiwalled Carbon Nanotube Hybrid for Quasi-Solid-State Dye-Sensitized Solar Cell Outperforming Pt Electrode.

Science.gov (United States)

Arbab, Alvira Ayoub; Sun, Kyung Chul; Sahito, Iftikhar Ali; Qadir, Muhammad Bilal; Choi, Yun Seon; Jeong, Sung Hoon

2016-03-23

Highly conductive mesoporous carbon structures based on multiwalled carbon nanotubes (MWCNTs) and activated charcoal (AC) were synthesized by an enzymatic dispersion method. The synthesized carbon configuration consists of synchronized structures of highly conductive MWCNT and porous activated charcoal morphology. The proposed carbon structure was used as counter electrode (CE) for quasi-solid-state dye-sensitized solar cells (DSSCs). The AC-doped MWCNT hybrid showed much enhanced electrocatalytic activity (ECA) toward polymer gel electrolyte and revealed a charge transfer resistance (RCT) of 0.60 Ω, demonstrating a fast electron transport mechanism. The exceptional electrocatalytic activity and high conductivity of the AC-doped MWCNT hybrid CE are associated with its synchronized features of high surface area and electronic conductivity, which produces higher interfacial reaction with the quasi-solid electrolyte. Morphological studies confirm the forms of amorphous and conductive 3D carbon structure with high density of CNT colloid. The excessive oxygen surface groups and defect-rich structure can entrap an excessive volume of quasi-solid electrolyte and locate multiple sites for iodide/triiodide catalytic reaction. The resultant D719 DSSC composed of this novel hybrid CE fabricated with polymer gel electrolyte demonstrated an efficiency of 10.05% with a high fill factor (83%), outperforming the Pt electrode. Such facile synthesis of CE together with low cost and sustainability supports the proposed DSSCs' structure to stand out as an efficient next-generation photovoltaic device.

Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

Energy Technology Data Exchange (ETDEWEB)

Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2014-09-02

A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

Kinetics of transuranium element oxidation-reduction reactions in solution

International Nuclear Information System (INIS)

Gourisse, D.

1966-09-01

A review of the kinetics of U, Np, Pu, Am oxidation-reduction reactions is proposed. The relations between the different activation thermodynamic functions (compensatory effect, formal entropy of the activated complex, magnitude of reactions velocities) are considered. The effects of acidity, ionic strength deuterium and mixed solvents polarity on reactions rates are described. The effect of different anions on reactions rates are explained by variations of the reaction standard free energy and variations of the activation free energy (coulombic interactions) resulting from the complexation of dissolved species by these anions. (author) [fr

Asymptotic kinetic theory of magnetized plasmas: quasi-particle concept

International Nuclear Information System (INIS)

Sosenko, P.P.; Zagorodny, A.H.

2004-01-01

The asymptotic kinetic theory of magnetized plasmas is elaborated within the context of general statistical approach and asymptotic methods, developed by M. Krylov and M. Bohol'ubov, for linear and non-linear dynamic systems with a rapidly rotating phase. The quasi-particles are introduced already on the microscopic level. Asymptotic expansions enable to close the description for slow processes, and to relate consistently particles and guiding centres to quasi-particles. The kinetic equation for quasi-particles is derived. It makes a basis for the reduced description of slow collective phenomena in the medium. The kinetic equation for quasi-particles takes into account self-consistent interaction fields, quasi-particle collisions and collective-fluctuation-induced relaxation of quasi-particle distribution function. The relationships between the distribution functions for particles, guiding centres and quasi-particles are derived taking into account fluctuations, which can be especially important in turbulent states. In this way macroscopic (statistical) particle properties can be obtained from those of quasi-particles in the general case of non-equilibrium. (authors)

On characterizations of quasi-metric completeness

Energy Technology Data Exchange (ETDEWEB)

Dag, H.; Romaguera, S.; Tirado, P.

2017-07-01

Hu proved in [4] that a metric space (X, d) is complete if and only if for any closed subspace C of (X, d), every Banach contraction on C has fixed point. Since then several authors have investigated the problem of characterizing the metric completeness by means of fixed point theorems. Recently this problem has been studied in the more general context of quasi-metric spaces for different notions of completeness. Here we present a characterization of a kind of completeness for quasi-metric spaces by means of a quasi-metric versions of Hu’s theorem. (Author)

Search for anti p-nucleus states using the (anti p,p) knock-out reaction at 600 MeV/c

International Nuclear Information System (INIS)

Aslanides, E.; Drake, D.M.; Peng, J.C.; Garreta, D.; Birien, P.; Bruge, G.; Catz, H.; Chaumeaux, A.; Janouin, S.; Legrand, D.; Lemaire, M.C.; Mayer, B.; Pain, J.; Perrot, F.

1987-01-01

The knock-out reaction A(anti p,p)X has been used to search for narrow anti p-nucleus states. The experiment was performed using the 600 MeV/c antiproton beam at LEAR and the high-resolution and large-acceptance magnetic spectrometer SPES II. The A-dependence of the annihilation-induced proton spectra has been studied on 2 H, 6 Li, 12 C, 63 Cu, 208 Pb and 209 Bi. The quasi-free elastic anti pp scattering observed in the lighter targets, and the comparison with the free anti pp scattering, also observed in this experiment, determine an effective proton number N eff for 1s- and 1p-shell protons. No evidence for narrow bound or resonant anti p-nucleus states could be found. Upper limits for their production are one order of magnitude lower than certain theoretical predictions, but consistent with the properties of the anti p-nucleus interaction, as established from recent elastic and inelastic scattering as well as from studies of antiprotonic atoms. (orig.)

Dynamics of activity free radical oxidation reactions in students with cerebral palsy results over the course of the educational process

Directory of Open Access Journals (Sweden)

Makarova E.V.

2012-12-01

Full Text Available The dynamics of changes activity of reactions is studied freely radical oxidize for students with the consequences of child's cerebral paralysis. 20 students took part in an experiment. Found that the course of study they have more active free radical oxidation reactions and decreases the activity of antiradical protection. Given the use of additional physical activity in aerobic training indicators intracellular antioxidant defense system increased, decreased content of reaction products of lipid peroxidation. However, increased rates of maximum oxygen consumption and increased tolerance of students with cerebral palsy to the consequences of physical activity. It is set that the pathological changes of metabolism for students ground the necessity of application of the differentiated physical loadings. The optimum forms of physical rehabilitation of the aerobic training is the dosed walking, medical swimming, dosed after distance, sometimes and by the corner of getting up pedestrian ascents. Loading is increased due to a volume, but not intensity of exercises.

AN UPDATED 6Li(p, α)3He REACTION RATE AT ASTROPHYSICAL ENERGIES WITH THE TROJAN HORSE METHOD

International Nuclear Information System (INIS)

Lamia, L.; Spitaleri, C.; Sergi, M. L.; Pizzone, R. G.; Tumino, A.; La Cognata, M.; Tognelli, E.; Degl'Innocenti, S.; Prada Moroni, P. G.; Pappalardo, L.

2013-01-01

The lithium problem influencing primordial and stellar nucleosynthesis is one of the most interesting unsolved issues in astrophysics. 6 Li is the most fragile of lithium's stable isotopes and is largely destroyed in most stars during the pre-main-sequence (PMS) phase. For these stars, the convective envelope easily reaches, at least at its bottom, the relatively low 6 Li ignition temperature. Thus, gaining an understanding of 6 Li depletion also gives hints about the extent of convective regions. For this reason, charged-particle-induced reactions in lithium have been the subject of several studies. Low-energy extrapolations of these studies provide information about both the zero-energy astrophysical S(E) factor and the electron screening potential, U e . Thanks to recent direct measurements, new estimates of the 6 Li(p, α) 3 He bare-nucleus S(E) factor and the corresponding U e value have been obtained by applying the Trojan Horse method to the 2 H( 6 Li, α 3 He)n reaction in quasi-free kinematics. The calculated reaction rate covers the temperature window 0.01 to 2T 9 and its impact on the surface lithium depletion in PMS models with different masses and metallicities has been evaluated in detail by adopting an updated version of the FRANEC evolutionary code.

Kinetics of free radical reactions in irradiated crystalline L-leucine

International Nuclear Information System (INIS)

Dole, M.; Mahdavi, M.

1983-01-01

Four aspects of the radiation chemistry of crystalline L-leucine are presented. They are as follows: the transformation of one type of free radical into another as observed by following the ESR spectrum of individual peaks in the initial stages of the free radical decay at room or higher temperatures after a gamma irradiation at 77K; the catalytic effect of hydrogen gas in significantly accelerating the free radical decay; the unexpected effect of argon gas in decreasing the rate of the free radical decay; and the accurate agreement of the decay data with the diffusion controlled second order Waite equation when the latter is expressed in the linear form. The major free radical which exists in irradiated L-leucine gives rise to a spectrum of 8 Doublets for a total of 16 lines. Numbering the peaks from the least intense to the strongest, peaks numbers 3, 4, 6, and 7, initially increase in intensity before decreasing while peak number 5 rapidly decreases. However, during this initial period the total free radical concentration as measured by the total moment of the ESR spectrum decreases. The kinetics of these effects are discussed. (author)

Quasi-particles at finite chemical potential

International Nuclear Information System (INIS)

Gardim, F. G.; Steffens, F. M.

2010-01-01

We present in this work the thermodynamic consistent quasi-particle model at finite chemical potential, to describe the Quark Gluon Plasma composed of two light quarks and gluons. The quasi-particle general solution will be discussed, and comparison with perturbative QCD and lattice data will be shown.

On Judicial and Quasi-Judicial Independence

NARCIS (Netherlands)

Comtois, Suzanne; de Graaf, K.J.

2013-01-01

'Principles of judicial and quasi-judicial independence are fundamental to all democracies and yet, the notion of independence is still elusive. What is judicial and quasi-judicial independence and why is it important? From whom and what are the judiciary and other adjudicators to be independent? Is

Kinetics of Several Oxygen-Containing Carbon-Centered Free Radical Reactions with Nitric Oxide.

Science.gov (United States)

Rissanen, Matti P; Ihlenborg, Marvin; Pekkanen, Timo T; Timonen, Raimo S

2015-07-16

Kinetics of four carbon-centered, oxygen-containing free radical reactions with nitric oxide (NO) were investigated as a function of temperature at a few Torr pressure of helium, employing flow tube reactors coupled to a laser-photolysis/resonance-gas-discharge-lamp photoionization mass spectrometer (LP-RPIMS). Rate coefficients were directly determined from radical (R) decay signals under pseudo-first-order conditions ([R]0 ≪ [NO]). The obtained rate coefficients showed negative temperature dependences, typical for a radical-radical association process, and can be represented by the following parametrizations (all in units of cm(3) molecule(-1) s(-1)): k(CH2OH + NO) = (4.76 × 10(-21)) × (T/300 K)(15.92) × exp[50700/(RT)] (T = 266-363 K, p = 0.79-3.44 Torr); k(CH3CHOH + NO) = (1.27 × 10(-16)) × (T/300 K)(6.81) × exp[28700/(RT)] (T = 241-363 K, p = 0.52-3.43 Torr); k(CH3OCH2 + NO) = (3.58 ± 0.12) × 10(-12) × (T/300 K)(-3.17±0.14) (T = 221-363 K, p = 0.50-0.80 Torr); k(T)3 = 9.62 × 10(-11) × (T/300 K)(-5.99) × exp[-7100/(RT)] (T = 221-473 K, p = 1.41-2.95 Torr), with the uncertainties given as standard errors of the fits and the overall uncertainties estimated as ±20%. The rate of CH3OCH2 + NO reaction was measured in two density ranges due to its observed considerable pressure dependence, which was not found in the studied hydroxyalkyl reactions. In addition, the CH3CO + NO rate coefficient was determined at two temperatures resulting in k298K(CH3CO + NO) = (5.6 ± 2.8) × 10(-13) cm(3) molecule(-1) s(-1). No products were found during these experiments, reasons for which are briefly discussed.

Solvent-free microwave-mediated Michael addition reactions

Indian Academy of Sciences (India)

Unknown

obviously difficult to scale up. In this context ... eco-friendly features such as, (i) no solvent is required to conduct the ... water soluble, addition of reaction mixture after com- ..... Yield: 855 mg (89%; viscous liquid). 3.4 Ethyl .... Jung M E 1993 Comprehensive organic synthesis ... Leshcheva I F and Bundel Y G 1997 Mendeleev.

Interfacial Reaction of Sn-Ag-Cu Lead-Free Solder Alloy on Cu: A Review

Directory of Open Access Journals (Sweden)

Liu Mei Lee

2013-01-01

Full Text Available This paper reviews the function and importance of Sn-Ag-Cu solder alloys in electronics industry and the interfacial reaction of Sn-Ag-Cu/Cu solder joint at various solder forms and solder reflow conditions. The Sn-Ag-Cu solder alloys are examined in bulk and in thin film. It then examines the effect of soldering conditions to the formation of intermetallic compounds such as Cu substrate selection, structural phases, morphology evolution, the growth kinetics, temperature and time is also discussed. Sn-Ag-Cu lead-free solder alloys are the most promising candidate for the replacement of Sn-Pb solders in modern microelectronic technology. Sn-Ag-Cu solders could possibly be considered and adapted in miniaturization technologies. Therefore, this paper should be of great interest to a large selection of electronics interconnect materials, reliability, processes, and assembly community.

Hairy black holes in cubic quasi-topological gravity

Energy Technology Data Exchange (ETDEWEB)

Dykaar, Hannah [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Department of Physics, McGill University,3600 rue University, Montreal, QC, H3A 2T8 (Canada); Hennigar, Robie A.; Mann, Robert B. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada)

2017-05-09

We construct a class of five dimensional black hole solutions to cubic quasi-topological gravity with conformal scalar hair and study their thermodynamics. We find these black holes provide the second example of black hole λ-lines: a line of second order (continuous) phase transitions, akin to the fluid/superfluid transition of {sup 4}He. Examples of isolated critical points are found for spherical black holes, marking the first in the literature to date. We also find various novel and interesting phase structures, including an isolated critical point occurring in conjunction with a double reentrant phase transition. The AdS vacua of the theory are studied, finding ghost-free configurations where the scalar field takes on a non-zero constant value, in notable contrast to the five dimensional Lovelock case.

Highly sensitive polymerase chain reaction-free quantum dot-based quantification of forensic genomic DNA

International Nuclear Information System (INIS)

Tak, Yu Kyung; Kim, Won Young; Kim, Min Jung; Han, Eunyoung; Han, Myun Soo; Kim, Jong Jin; Kim, Wook; Lee, Jong Eun; Song, Joon Myong

2012-01-01

Highlights: ► Genomic DNA quantification were performed using a quantum dot-labeled Alu sequence. ► This probe provided PCR-free determination of human genomic DNA. ► Qdot-labeled Alu probe-hybridized genomic DNAs had a 2.5-femtogram detection limit. ► Qdot-labeled Alu sequence was used to assess DNA samples for human identification. - Abstract: Forensic DNA samples can degrade easily due to exposure to light and moisture at the crime scene. In addition, the amount of DNA acquired at a criminal site is inherently limited. This limited amount of human DNA has to be quantified accurately after the process of DNA extraction. The accurately quantified extracted genomic DNA is then used as a DNA template in polymerase chain reaction (PCR) amplification for short tandem repeat (STR) human identification. Accordingly, highly sensitive and human-specific quantification of forensic DNA samples is an essential issue in forensic study. In this work, a quantum dot (Qdot)-labeled Alu sequence was developed as a probe to simultaneously satisfy both the high sensitivity and human genome selectivity for quantification of forensic DNA samples. This probe provided PCR-free determination of human genomic DNA and had a 2.5-femtogram detection limit due to the strong emission and photostability of the Qdot. The Qdot-labeled Alu sequence has been used successfully to assess 18 different forensic DNA samples for STR human identification.

Brownian quasi-particles and quantum quasi-particles

International Nuclear Information System (INIS)

Fronteau, J.

1987-01-01

The concept of quasi-particles is used in Statistical Mechanics as well as in Quantum Mechanics, to associate differentiable trajectories to the equations of evolution, trajectories on which a maximum of informations is concentrated concerning the phenomena studied. Two cases are treated numerically, that of the Fokker-Planck equation with an x - x 3 field, and that of the Schroedinger equation with null potential, in a situation of interference [fr

Emerging quasi-0D states at vanishing total entropy of the 1D hard sphere system: A coarse-grained similarity to the car parking problem

Science.gov (United States)

Frusawa, Hiroshi

2014-05-01

A coarse-grained system of one-dimensional (1D) hard spheres (HSs) is created using the Delaunay tessellation, which enables one to define the quasi-0D state. It is found from comparing the quasi-0D and 1D free energy densities that a frozen state due to the emergence of quasi-0D HSs is thermodynamically more favorable than fluidity with a large-scale heterogeneity above crossover volume fraction of ϕc=e/(1+e)=0.731⋯ , at which the total entropy of the 1D state vanishes. The Delaunay-based lattice mapping further provides a similarity between the dense HS system above ϕc and the jamming limit in the car parking problem.

Emerging quasi-0D states at vanishing total entropy of the 1D hard sphere system: A coarse-grained similarity to the car parking problem

International Nuclear Information System (INIS)

Frusawa, Hiroshi

2014-01-01

A coarse-grained system of one-dimensional (1D) hard spheres (HSs) is created using the Delaunay tessellation, which enables one to define the quasi-0D state. It is found from comparing the quasi-0D and 1D free energy densities that a frozen state due to the emergence of quasi-0D HSs is thermodynamically more favorable than fluidity with a large-scale heterogeneity above crossover volume fraction of ϕ c =e/(1+e)=0.731⋯ , at which the total entropy of the 1D state vanishes. The Delaunay-based lattice mapping further provides a similarity between the dense HS system above ϕ c and the jamming limit in the car parking problem.

Production of quasi ellipsoidal laser pulses for next generation high brightness photoinjectors

Energy Technology Data Exchange (ETDEWEB)

Rublack, T., E-mail: Tino.Rublack@desy.de [DESY, Zeuthen (Germany); Good, J.; Khojoyan, M.; Krasilnikov, M.; Stephan, F. [DESY, Zeuthen (Germany); Hartl, I.; Schreiber, S. [DESY, Hamburg (Germany); Andrianov, A.; Gacheva, E.; Khazanov, E.; Mironov, S.; Potemkin, A.; Zelenogorskii, V.V. [IAP/RAS, Nizhny Novgorod (Russian Federation); Syresin, E. [JINR, Dubna (Russian Federation)

2016-09-01

The use of high brightness electron beams in Free Electron Laser (FEL) applications is of increasing importance. One of the most promising methods to generate such beams is the usage of shaped photocathode laser pulses. It has already demonstrated that temporal and transverse flat-top laser pulses can produce very low emittance beams [1]. Nevertheless, based on beam simulations further improvements can be achieved using quasi-ellipsoidal laser pulses, e.g. 30% reduction in transverse projected emittance at 1 nC bunch charge. In a collaboration between DESY, the Institute of Applied Physics of the Russian Academy of Science (IAP RAS) in Nizhny Novgorod and the Joint Institute of Nuclear Research (JINR) in Dubna such a laser system capable of producing trains of laser pulses with a quasi-ellipsoidal distribution, has been developed. The prototype of the system was installed at the Photo Injector Test facility at DESY in Zeuthen (PITZ) and is currently in the commissioning phase. In the following, the laser system will be introduced, the procedure of pulse shaping will be described and the last experimental results will be shown.

Quasi-greedy systems of integer translates

DEFF Research Database (Denmark)

Nielsen, Morten; Sikic, Hrvoje

We consider quasi-greedy systems of integer translates in a finitely generated shift invariant subspace of L2(Rd), that is systems for which the thresholding approximation procedure is well behaved. We prove that every quasi-greedy system of integer translates is also a Riesz basis for its closed...

Quasi-greedy systems of integer translates

DEFF Research Database (Denmark)

Nielsen, Morten; Sikic, Hrvoje

2008-01-01

We consider quasi-greedy systems of integer translates in a finitely generated shift-invariant subspace of L2(Rd), that is systems for which the thresholding approximation procedure is well behaved. We prove that every quasi-greedy system of integer translates is also a Riesz basis for its closed...

Rates for some reactions involving 42Ca and 44Ca

International Nuclear Information System (INIS)

Cheng, C.W.; King, J.D.

1980-01-01

Ground-state reaction rates have been deduced from recent cross section measurements for the 42 CA(α, n) 45 Ti, 42 Ca(p, γ) 43 Sc, and 44 Ca(p, n) 44 Sc reactions. Comparison of these rates with those calculated from a statistical model of nuclear reactions. (Woosley et al) shows good agreement for the first two, but the 44 Ca(p, n) rate is more than a factor of 2 less than the theoretical prediction. Stellar reaction rates have been derived from the ground-state rates by multiplying the ground-state rates by the ratio of stellar to ground-state rates given by the statistical model. Both ground-state and stellar rates have been represented by analytic functions of the temperature. The role of these reactions in the approach to quasi-equilibrium during explosive silicon burning is discussed

Quasi-molecular states in sd-shell nuclei

International Nuclear Information System (INIS)

Kubono, S.; Ikeda, N.; Nomura, T.

1988-08-01

Quasi-molecular states near and below the threshold of the molecular configuration in sd-shell nuclei are discussed using recent experimental data with particle-gamma coincidence method and particle-particle coincidence method. Possible quasi-molecular states have been identified in 24 Mg as well as in 28 Si and 32 S. The important role of quasi-molecular states are discussed, specifically for the shape evolution of nuclei as a function of excitation energy and angular momentum. (author)

Prepotential approach to exact and quasi-exact solvabilities

International Nuclear Information System (INIS)

Ho, C.-L.

2008-01-01

Exact and quasi-exact solvabilities of the one-dimensional Schroedinger equation are discussed from a unified viewpoint based on the prepotential together with Bethe ansatz equations. This is a constructive approach which gives the potential as well as the eigenfunctions and eigenvalues simultaneously. The novel feature of the present work is the realization that both exact and quasi-exact solvabilities can be solely classified by two integers, the degrees of two polynomials which determine the change of variable and the zeroth order prepotential. Most of the well-known exactly and quasi-exactly solvable models, and many new quasi-exactly solvable ones, can be generated by appropriately choosing the two polynomials. This approach can be easily extended to the constructions of exactly and quasi-exactly solvable Dirac, Pauli, and Fokker-Planck equations

Quintessential quartic quasi-topological quartet

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Jamil [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Department of Mathematics, Quaid-i-Azam University,Islamabad (Pakistan); Hennigar, Robie A. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Mann, Robert B. [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada); Mir, Mozhgan [Department of Physics and Astronomy, University of Waterloo,200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); School of Physics, Institute for Research in Fundamental Sciences (IPM),P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)

2017-05-25

We construct the quartic version of generalized quasi-topological gravity, which was recently constructed to cubic order in https://arxiv.org/abs/1703.01631. This class of theories includes Lovelock gravity and a known form of quartic quasi-topological gravity as special cases and possess a number of remarkable properties: (i) In vacuum, or in the presence of suitable matter, there is a single independent field equation which is a total derivative. (ii) At the linearized level, the equations of motion on a maximally symmetric background are second order, coinciding with the linearized Einstein equations up to a redefinition of Newton’s constant. Therefore, these theories propagate only the massless, transverse graviton on a maximally symmetric background. (iii) While the Lovelock and quasi-topological terms are trivial in four dimensions, there exist four new generalized quasi-topological terms (the quartet) that are nontrivial, leading to interesting higher curvature theories in d≥4 dimensions that appear well suited for holographic study. We construct four dimensional black hole solutions to the theory and study their properties. A study of black brane solutions in arbitrary dimensions reveals that these solutions are modified from the ‘universal’ properties they possess in other higher curvature theories, which may lead to interesting consequences for the dual CFTs.

Concluding remarks presented at the Symposium on heavy ion reaction dynamics on the tandem energy region

International Nuclear Information System (INIS)

Betts, R.R.

1988-01-01

This paper discusses the divisions between different heavy ion reaction processes. Fusion, deep inelastic, quasi-elastic and elastic interactions are discussed in terms of coupled channel calculations. 20 refs., 8 figs

Free energy from molecular dynamics with multiple constraints

NARCIS (Netherlands)

den Otter, Wouter K.; Briels, Willem J.

2000-01-01

In molecular dynamics simulations of reacting systems, the key step to determining the equilibrium constant and the reaction rate is the calculation of the free energy as a function of the reaction coordinate. Intuitively the derivative of the free energy is equal to the average force needed to

On Riemannian manifolds (Mn, g) of quasi-constant curvature

International Nuclear Information System (INIS)

Rahman, M.S.

1995-07-01

A Riemannian manifold (M n , g) of quasi-constant curvature is defined. It is shown that an (M n , g) in association with other class of manifolds gives rise, under certain conditions, to a manifold of quasi-constant curvature. Some observations on how a manifold of quasi-constant curvature accounts for a pseudo Ricci-symmetric manifold and quasi-umbilical hypersurface are made. (author). 10 refs

Group Analysis of Free Convection Flow of a Magnetic Nanofluid with Chemical Reaction

Directory of Open Access Journals (Sweden)

Md. Jashim Uddin

2015-01-01

Full Text Available A theoretical study of two-dimensional magnetohydrodynamics viscous incompressible free convective boundary layer flow of an electrically conducting, chemically reacting nanofluid from a convectively heated permeable vertical surface is presented. Scaling group of transformations is used in the governing equations and the boundary conditions to determine absolute invariants. A third-order ordinary differential equation which corresponds to momentum conservation and two second-order ordinary differential equations which correspond to energy and nanoparticle volume fraction (species conservation are derived. Our (group analysis indicates that, for the similarity solution, the convective heat transfer coefficient and mass transfer velocity are proportional to x-1/4 whilst the reaction rate is proportional to x-1/2, where x is the axial distance from the leading edge of the plate. The effects of the relevant controlling parameters on the dimensionless velocity, temperature, and nanoparticle volume fraction are examined. The accuracy of the technique we have used was tested by performing comparisons with the results of published work and the results were found to be in good agreement. The present computations indicate that the flow is accelerated and temperature enhanced whereas nanoparticle volume fractions are decreased with increasing order of chemical reaction. Furthermore the flow is strongly decelerated, whereas the nanoparticle volume fraction and temperature are enhanced with increasing magnetic field parameter. Increasing convection-conduction parameter increases velocity and temperatures but has a weak influence on nanoparticle volume fraction distribution. The present study demonstrates the thermal enhancement achieved with nanofluids and also magnetic fields and is of relevance to nanomaterials processing.

Minimax discrimination of quasi-Bell states

Energy Technology Data Exchange (ETDEWEB)

Kato, Kentaro [Quantum ICT Research Institute, Tamagawa University, 6-1-1 Tamagawa-gakuen, Machida, Tokyo 194-8610 (Japan)

2014-12-04

An optimal quantum measurement is considered for the so-called quasi-Bell states under the quantum minimax criterion. It is shown that the minimax-optimal POVM for the quasi-Bell states is given by its square-root measurement and is applicable to the teleportation of a superposition of two coherent states.

Indirect measurement of the 15N(p,α)12C reaction cross section through the THM

International Nuclear Information System (INIS)

Romano, S.; La Cognata, M.; Spitaleri, C.; Cherubini, S.; Gulino, M.; Lamia, L.; Musumarra, A.; Tribble, R.; Trache, C.L.; Fu, C.

2005-01-01

Among the reactions of the stellar CNO cycle, the 15 N(p,α) 12 C plays a crucial role. In particular its reaction rate is important for understanding the CNOI escape towards CNOII. Thus it is important to study its bare nucleus cross section at the energies typical of such astrophysical environments, i.e. few tens of keV. At these energies such a measurement is hard to perform in a direct way because of the electron screening effect as pointed out for several cases. A possibility is then given by indirect methods and in particular the Trojan Horse Method (THM) has been applied in this case. The preliminary validity test for the study of 15 N(p,α) 12 C via the 15 N(d,α 12 C)n three body reaction is reported in this work. A 15 N beam was provided by the cyclotron at Texas A and M University with energy 60 MeV/c and delivered onto a CD 2 target. A ΔE/E telescope (PSD + ionization chamber) and a pair of PSD's were mounted in a coplanar geometry. Coincidences between the detectors were considered and the 15 N-p quasi-free contribution to the overall three-body cross-section was selected. Data analysis and preliminary results will be discussed and compared with direct data. (author)

Alpha-clustering effects on {sup 16}O(γ, np){sup 14}N in the quasi-deuteron region

Energy Technology Data Exchange (ETDEWEB)

Huang, Bo-Song [Chinese Academy of Sciences, Shanghai Institute of Applied Physics, Shanghai (China); University of Chinese Academy of Sciences, Beijing (China); Ma, Yu-Gang [Chinese Academy of Sciences, Shanghai Institute of Applied Physics, Shanghai (China); ShanghaiTech University, Shanghai (China); He, Wan-Bing [Chinese Academy of Sciences, Shanghai Institute of Applied Physics, Shanghai (China); Fudan University, Institute of Modern Physics, Shanghai (China)

2017-06-15

Photonuclear reaction in the quasi-deuteron regime has been investigated in an extended Quantum Molecular Dynamics model at a photon energy of 70-120 MeV. Particularly, the reaction channel of {sup 16}O(γ, np){sup 14}N is focused where {sup 16}O is considered as having different α-clustering configurations as well as regular spherical structure. Because of three-body decay from the above photonuclear reaction, we can investigate many observables including the recoil momentum, missing energy, pair momentum/energy and opening angle of ejected neutron and proton, hyper-angle and hyper-radius distributions, etc. These quantitative results demonstrate an obvious difference among different initial configurations of {sup 16}O, which can be attributed to the spatial-momentum correlation of a neutron-proton pair inside the nucleus. The results illustrate that photonuclear reaction is a good tool to explore different α-clustering structures. (orig.)

Beam-wave interaction in periodic and quasi-periodic structures. 2. ed.

International Nuclear Information System (INIS)

Schaechter, Levi

2011-01-01

The main theme of this book is the interaction of electrons with electromagnetic waves in the presence of periodic and quasi-periodic structures in vacuum, in view of applications in the design and operation of particle accelerators. The first part of the book is concerned with the textbook-like presentation of the basic material, in particular reviewing elementary electromagnetic phenomena and electron dynamics. The second part of the book describes the current models for beam-wave interactions with periodic and quasi-periodic structures. This is the basis for introducing, in the last part of the book, a number of particle and radiation sources that rest on these principles, in particular the free-electron laser, wake-field acceleration schemes and a number of other advanced particle accelerator concepts. This second edition brings this fundamental text up-to-date in view of the enormous advances that have been made over the last decade since the first edition was published. All chapters, as well as the bibliography, have been significantly revised and extended, and the number of end-of-chapter exercises has been further increased to enhance this book's usefulness for teaching specialized graduate courses. (orig.)

Degradations and Rearrangement Reactions

Science.gov (United States)

Zhang, Jianbo

This section deals with recent reports concerning degradation and rearrangement reactions of free sugars as well as some glycosides. The transformations are classified in chemical and enzymatic ways. In addition, the Maillard reaction will be discussed as an example of degradation and rearrangement transformation and its application in current research in the fields of chemistry and biology.

Modelling Students' Visualisation of Chemical Reaction

Science.gov (United States)

Cheng, Maurice M. W.; Gilbert, John K.

2017-01-01

This paper proposes a model-based notion of "submicro representations of chemical reactions". Based on three structural models of matter (the simple particle model, the atomic model and the free electron model of metals), we suggest there are two major models of reaction in school chemistry curricula: (a) reactions that are simple…

Generalization of the Activated Complex Theory of Reaction Rates. I. Quantum Mechanical Treatment

Science.gov (United States)

Marcus, R. A.

1964-01-01

In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced.

Effect of chemical reaction on unsteady MHD free convective two ...

African Journals Online (AJOL)

The effect of flow parameters on the coefficient of skin friction, Nusselt number and Sherwood number are also tabulated and discussed appropriately. It was observed that the increase in chemical reaction coefficient/parameter suppresses both velocity and concentration profiles. Keywords: Chemical Reaction, MHD, ...

Study of Neutron Halo Structure in Interaction of 6He with Nuclei of Photoemulsion

International Nuclear Information System (INIS)

Belovitsky, G.; Konobeevski, E.; Stepanov, A.; Zavarzina, V.; Zuyev, S.; Polukhina, N.; Rusetsky, A.; Starkov, N.; Lukyanov, S.; Sobolev, Yu.

2008-01-01

To investigate the structure of halo of Borromean nuclei, we propose an experimental method of studying quasi-free scattering of proton by the constituents of halo-nuclei in photo emulsion. The experimental study of 6 He + 1 H interaction is performed using 6 He beam of Flerov Laboratory of Nuclear Reactions (JINR, Dubna) at energy of about 10 MeV/u and technique of nuclear photo emulsions. Searching for events of quasi-free scattering and their processing is performed using the PAVICOM-setup at P.N. Lebedev Physical institute

Thermodynamics of Enzyme-Catalyzed Reactions Database

Science.gov (United States)

SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

N-Alkylation by Hydrogen Autotransfer Reactions.

Science.gov (United States)

Ma, Xiantao; Su, Chenliang; Xu, Qing

2016-06-01

Owing to the importance of amine/amide derivatives in all fields of chemistry, and also the green and environmentally benign features of using alcohols as alkylating reagents, the relatively high atom economic dehydrative N-alkylation reactions of amines/amides with alcohols through hydrogen autotransfer processes have received much attention and have developed rapidly in recent decades. Various efficient homogeneous and heterogeneous transition metal catalysts, nano materials, electrochemical methods, biomimetic methods, asymmetric N-alkylation reactions, aerobic oxidative methods, and even certain transition metal-free, catalyst-free, or autocatalyzed methods, have also been developed in recent years. With a brief introduction to the background and developments in this area of research, this chapter focuses mainly on recent progress and technical and conceptual advances contributing to the development of this research in the last decade. In addition to mainstream research on homogeneous and heterogeneous transition metal-catalyzed reactions, possible mechanistic routes for hydrogen transfer and alcohol activation, which are key processes in N-alkylation reactions but seldom discussed in the past, the recent reports on computational mechanistic studies of the N-alkylation reactions, and the newly emerged N-alkylation methods based on novel alcohol activation protocols such as air-promoted reactions and transition metal-free methods, are also reviewed in this chapter. Problems and bottlenecks that remained to be solved in the field, and promising new research that deserves greater future attention and effort, are also reviewed and discussed.

Electrochemical Branched-DNA Assay for Polymerase Chain Reaction-Free Detection and Quantification of Oncogenes in Messenger RNA

Energy Technology Data Exchange (ETDEWEB)

Lee, Ai Cheng; Dai, Ziyu; Chen, Baowei; Wu, Hong; Wang, Jun; Zhang, Aiguo; Zhang, Lurong; Lim, Tit-Meng; Lin, Yuehe

2008-12-01

We describe a novel electrochemical branched-DNA (bDNA) assay for polymerase chain reaction (PCR)-free detection and quantification of p185 BCR-ABL leukemia fusion transcript in the population of messenger RNA (mRNA) extracted from cell lines. The bDNA amplifier carrying high loading of alkaline phosphatase (ALP) tracers was used to amplify targets signal. The targets were captured on microplate well surfaces through cooperative sandwich hybridization prior to the labeling of bDNA. The activity of captured ALP was monitored by square-wave voltammetric (SWV) analysis of the electroactive enzymatic product in the presence of 1-napthyl-phosphate. The specificity and sensitivity of assay enabled direct detection of target transcript in as little as 4.6 ng mRNA without PCR amplification. In combination with the use of a well-quantified standard, the electrochemical bDNA assay was capable of direct use for a PCR-free quantitative analysis of target transcript in total mRNA population. The approach thus provides a simple, sensitive, accurate and quantitative tool alternate to the RQ-PCR for early disease diagnosis.

Quasi-Feller Markov chains

Directory of Open Access Journals (Sweden)

Jean B. Lasserre

2000-01-01

Full Text Available We consider the class of Markov kernels for which the weak or strong Feller property fails to hold at some discontinuity set. We provide a simple necessary and sufficient condition for existence of an invariant probability measure as well as a Foster-Lyapunov sufficient condition. We also characterize a subclass, the quasi (weak or strong Feller kernels, for which the sequences of expected occupation measures share the same asymptotic properties as for (weak or strong Feller kernels. In particular, it is shown that the sequences of expected occupation measures of strong and quasi strong-Feller kernels with an invariant probability measure converge setwise to an invariant measure.

Comparison of quasi-static and dynamic squats: a three-dimensional kinematic, kinetic and electromyographic study of the lower limbs.

Science.gov (United States)

Clément, Julien; Hagemeister, Nicola; Aissaoui, Rachid; de Guise, Jacques A

2014-01-01

Numerous studies have described 3D kinematics, 3D kinetics and electromyography (EMG) of the lower limbs during quasi-static or dynamic squatting activities. One study compared these two squatting conditions but only at low speed on healthy subjects, and provided no information on kinetics and EMG of the lower limbs. The purpose of the present study was to contrast simultaneous recordings of 3D kinematics, 3D kinetics and EMG of the lower limbs during quasi-stat ic and fast-dynamic squats in healthy and pathological subjects. Ten subjects were recruited: five healthy and five osteoarthritis subjects. A motion-capture system, force plate, and surface electrodes respectively recorded 3D kinematics, 3D kinetics and EMG of the lower limbs. Each subject performed a quasi-static squat and several fast-dynamic squats from 0° to 70° of knee flexion. The two squatting conditions were compared for positions where quasi-static and fast-dynamic knee flexion-extension angles were similar. Mean differences between quasi-static and fast-dynamic squats were 1.5° for rotations, 1.9 mm for translations, 2.1% of subjects' body weight for ground reaction forces, 6.6 Nm for torques, 11.2 mm for center of pressure, and 6.3% of maximum fast-dynamic electromyographic activities for EMG. Some significant differences (psquats were small. 69.5% of compared data were equivalent. In conclusion, this study showed that quasi-static and fast-dynamic squatting activities are comparable in terms of 3D kinematics, 3D kinetics and EMG, although some reservations still remain. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

Science.gov (United States)

Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

2016-05-26

The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

Solvent-free, catalyst-free aza-Michael addition of cyclohexylamine to diethyl maleate: reaction mechanism and kinetics

Czech Academy of Sciences Publication Activity Database

Bláha, Michal; Trhlíková, Olga; Podešva, Jiří; Abbrent, Sabina; Steinhart, Miloš; Dybal, Jiří; Dušková-Smrčková, Miroslava

2018-01-01

Roč. 74, č. 1 (2018), s. 58-67 ISSN 0040-4020 Institutional support: RVO:61389013 Keywords : Aza-Michael addition * solvent-free * catalyst-free Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 2.651, year: 2016

Monte Carlo and Quasi-Monte Carlo Sampling

CERN Document Server

Lemieux, Christiane

2009-01-01

Presents essential tools for using quasi-Monte Carlo sampling in practice. This book focuses on issues related to Monte Carlo methods - uniform and non-uniform random number generation, variance reduction techniques. It covers several aspects of quasi-Monte Carlo methods.

Radiochemical study of isomerization of free butyl cations

International Nuclear Information System (INIS)

Sinotova, E.N.; Nefedov, V.D.; Skorokhodov, S.S.; Arkhipov, Yu.M.

1987-01-01

Ion-molecular reactions of free butyl cations, generated by nuclear chemical method, with carbon monoxide containing small quantities of ethanol vapors are studied. Carbon monoxide was used to fix instable butyl cations in the form of corresponding acyl ions. Ester of α-methyl-butyric acid appears to be the only product of free butyl cation interaction with carbon monoxide in the presence of ethanol vapors. That means, that up to the moment of butyl cation reaction with carbon monoxide, the primary butyl cations are almost completely isomerized into secondary in agreement with results of previous investigations. This allows one to study free butyl cation isomerization process according to ion-molecular reaction product isomeric composition

Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Blank, D.A.; Hemmi, N.; Suits, A.G.; Lee, Y.T. [Lawrence Berkeley National Lab., CA (United States)

1997-04-01

The abstraction of hydrogen atoms from saturated hydrocarbons are reactions of fundamental importance in combustion as well as often being the rate limiting step in free radical substitution reactions. The authors have begun studying these reactions under single collision conditions using the crossed molecular beam technique on beamline 9.0.2.1, utilizing VUV undulator radiation to selectively ionize the scattered hydrocarbon free radical products (C{sub x}H{sub 2x+1}). The crossed molecular beam technique involves two reactant molecular beams fixed at 90{degrees}. The molecular beam sources are rotatable in the plane defined by the two beams. The scattered neutral products travel 12.0 cm where they are photoionized using the VUV undulator radiation, mass selected, and counted as a function of time. In the authors initial investigations they are using halogen atoms as protypical free radicals to abstract hydrogen atoms from small alkanes. Their first study has been looking at the reaction of Cl + propane {r_arrow} HCl + propyl radical. In their preliminary efforts the authors have measured the laboratory scattering angular distribution and time of flight spectra for the propyl radical products at collision energies of 9.6 kcal/mol and 14.9 kcal/mol.

Study of atomic jumps in quasi-crystals; Etude des sauts atomiques dans les quasi-cristaux

Energy Technology Data Exchange (ETDEWEB)

Lyonnard, S

1997-05-07

The terminology phason used in quasicrystals to refer to atomic jumps. The study of the hopping process is important for the understanding of many basic issues in quasi-crystallography: structure, stability, diffusion, phase transitions between quasicrystals and approximants, mechanical properties. Quasi-elastic neutron scattering allows to find the characteristics of each elementary jump: chemical species involves, relaxation times, activation energies, jump distances and orientations. We performed a series of experiments in the perfect icosahedral phases AlFeCu and AlMnPd, on both powders and single domain samples, using time-of-flight, backscattering and triple axis spectrometers. We evidenced the existence of very fast phason hopping, and studied about ten different atomic jumps. An unusual temperature dependence has been found systematically: each process is assisted by a thermally activated mechanism. The assistance process has to be determined case by case, but the more plausible explanation invokes assistance by phonons or phason clouds. Moreover, the dependence of the quasi elastic signal as a function of the momentum transfer shows that the jumps are local and do not give rise to any long-range diffusion. Phason hopping mainly corresponds to the atom moving forwards and backwards between two energetically equivalent sites. Finally, we have been able to show that the jumps occur along the various quasi-crystalline symmetry axes. (author) 91 refs.

Label-Free and Ultrasensitive Biomolecule Detection Based on Aggregation Induced Emission Fluorogen via Target-Triggered Hemin/G-Quadruplex-Catalyzed Oxidation Reaction.

Science.gov (United States)

Li, Haiyin; Chang, Jiafu; Gai, Panpan; Li, Feng

2018-02-07

Fluorescence biosensing strategy has drawn substantial attention due to their advantages of simplicity, convenience, sensitivity, and selectivity, but unsatisfactory structure stability, low fluorescence quantum yield, high cost of labeling, and strict reaction conditions associated with current fluorescence methods severely prohibit their potential application. To address these challenges, we herein propose an ultrasensitive label-free fluorescence biosensor by integrating hemin/G-quadruplex-catalyzed oxidation reaction with aggregation induced emission (AIE) fluorogen-based system. l-Cysteine/TPE-M, which is carefully and elaborately designed and developed, obviously contributes to strong fluorescence emission. In the presence of G-rich DNA along with K + and hemin, efficient destruction of l-cysteine occurs due to hemin/G-quadruplex-catalyzed oxidation reactions. As a result, highly sensitive fluorescence detection of G-rich DNA is readily realized, with a detection limit down to 33 pM. As a validation for the further development of the proposed strategy, we also successfully construct ultrasensitive platforms for microRNA by incorporating the l-cysteine/TPE-M system with target-triggered cyclic amplification reaction. Thus, this proposed strategy is anticipated to find use in basic biochemical research and clinical diagnosis.

Silicon Burning. II. Quasi-Equilibrium and Explosive Burning

International Nuclear Information System (INIS)

Hix, W.R.; Thielemann, F.

1999-01-01

Having examined the application of quasi-equilibrium to hydrostatic silicon burning in Paper I of this series, we now turn our attention to explosive silicon burning. Previous authors have shown that for material that is heated to high temperature by a passing shock and then cooled by adiabatic expansion, the results can be divided into three broad categories, incomplete burning, normal freezeout, and α-rich freezeout, with the outcome depending on the temperature, density, and cooling timescale. In all three cases, we find that the important abundances obey quasi-equilibrium for temperatures greater than approximately 3x10 9 K, with relatively little nucleosynthesis occurring following the breakdown of quasi-equilibrium. We will show that quasi-equilibrium provides better abundance estimates than global nuclear statistical equilibrium, even for normal freezeout, and particularly for α-rich freezeout. We will also examine the accuracy with which the final nuclear abundances can be estimated from quasi-equilibrium. copyright copyright 1999. The American Astronomical Society

What can asymptotic expansions tell us about large-scale quasi-geostrophic anticyclonic vortices?

Directory of Open Access Journals (Sweden)

A. Stegner

1995-01-01

Full Text Available The problem of the large-scale quasi-geostrophic anticyclonic vortices is studied in the framework of the baratropic rotating shallow- water equations on the β-plane. A systematic approach based on the multiplescale asymptotic expansions is used leading to a hierarchy of governing equations for the large-scale vortices depending on their characteristic size, velocity and a free surface elevation. Among them are the Charney-Obukhov equation, the intermediate geostrophic model equation, the frontal dynamics equation and some new nonlinear quasi-geostrophic equation. We are looking for steady-drifting axisymmetric anticyclonic solutions and find them in a consistent way only in this last equation. These solutions are soliton-like in the sense that the effects of weak non-linearity and dispersion balance each other. The same regimes on the paraboloidal β-plane are studied, all giving a negative result in what concerns the axisymmetric steady solutions, except for a strong elevation case where any circular profile is found to be steadily propagating within the accuracy of the approximation.

Riemann quasi-invariants

International Nuclear Information System (INIS)

Pokhozhaev, Stanislav I

2011-01-01

The notion of Riemann quasi-invariants is introduced and their applications to several conservation laws are considered. The case of nonisentropic flow of an ideal polytropic gas is analysed in detail. Sufficient conditions for gradient catastrophes are obtained. Bibliography: 16 titles.

Quasi-pions with temperature dependent dispersion relation

International Nuclear Information System (INIS)

Gorenstein, M.I.

1995-01-01

We construct the procedure to calculate thermodynamical functions for a system of quasi-particles with temperature dependent dispersion relation. Two models for the hot quasi-pion system are considered to illustrate the importance of thermodynamical self consistency requirements. 8 refs., 9 figs

Platinum Group Metal-free Catalysts for Hydrogen Evolution Reaction in Microbial Electrolysis Cells.

Science.gov (United States)

Yuan, Heyang; He, Zhen

2017-07-01

Hydrogen gas is a green energy carrier with great environmental benefits. Microbial electrolysis cells (MECs) can convert low-grade organic matter to hydrogen gas with low energy consumption and have gained a growing interest in the past decade. Cathode catalysts for the hydrogen evolution reaction (HER) present a major challenge for the development and future applications of MECs. An ideal cathode catalyst should be catalytically active, simple to synthesize, durable in a complex environment, and cost-effective. A variety of noble-metal free catalysts have been developed and investigated for HER in MECs, including Nickel and its alloys, MoS 2 , carbon-based catalysts and biocatalysts. MECs in turn can serve as a research platform to study the durability of the HER catalysts. This personal account has reviewed, analyzed, and discussed those catalysts with an emphasis on synthesis and modification, system performance and potential for practical applications. It is expected to provide insights into the development of HER catalysts towards MEC applications. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Chemical, High-Temperature Way to Ag1.9Te via Quasi-Topotactic Reaction of Stuetzite-type Ag1.54Te: Structural and Thermoelectric Properties.

Science.gov (United States)

Baumer, Franziska; Nilges, Tom

2017-11-20

Semiconducting silver tellurides gained reasonable interest in the past years due to its thermoelectric, magneto-caloric, and nonlinear optic properties. Nanostructuring has been frequently used to address quantum-confinement effects of minerals and synthetic compounds in the Ag-Te system. Here, we report on the structural, thermal, and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te. By a quasi-topotactic reaction upon tellurium evaporation Ag 1.54 Te can be transferred to Ag 1.9 Te after heat treatment. Crystal structures, thermal and thermoelectric properties of stuetzite-like Ag 1.54 Te (or Ag 4.63 Te 3 ) and Ag 1.9 Te were determined by ex situ and in situ experiments. This method represents an elegant chemical way to Ag 1.9 Te, which was so far only accessible electrochemically via electrochemical removal of silver from the mineral hessite (Ag 2 Te). The mixed conductors show reasonable high total electric conductivities, very low thermal conductivities, and large Seebeck coefficients, which result in a significant high thermoelectric figure of 0.57 at 680 K.

Kinetics of free radical decay reactions in lactic acid homo and copolymers irradiated to sterilization dose

International Nuclear Information System (INIS)

Kantoglu, O.; Ozbey, T.; Gueven, O.

1995-01-01

The kinetics of free radical decay reactions of poly(L-Lactic acid), poly(DL-Lactic acid) and random copolymer of lactic and glycolic acid have been investigated for decays taking place in air and in vacuum. The change in ESR lines of γ-irradiated polymers have been followed over a long time period. The decay has been found to follow neither simple first-order nor second-order kinetics. Various kinetic approaches including composite first or second-order mechanisms and diffusion-controlled first or second-order equations were determined to be also unsatisfactory. The decay of radicals in bulk irradiated lactic acid homo and copolymers was found to be best described when the second-order non-classical equation with time dependent rate constant approach was used. (Author)

Exophobic Quasi-Realistic Heterotic String Vacua

CERN Document Server

Assel, Benjamin; Faraggi, Alon E; Kounnas, Costas; Rizos, John

2009-01-01

We demonstrate the existence of heterotic-string vacua that are free of massless exotic fields. The need to break the non-Abelian GUT symmetries in k=1 heterotic-string models by Wilson lines, while preserving the GUT embedding of the weak-hypercharge and the GUT prediction sin^2\\theta_w(M(GUT))=3/8, necessarily implies that the models contain states with fractional electric charge. Such states are severely restricted by observations, and must be confined or sufficiently massive and diluted. We construct the first quasi-realistic heterotic-string models in which the exotic states do not appear in the massless spectrum, and only exist, as they must, in the massive spectrum. The SO(10) GUT symmetry is broken to the Pati-Salam subgroup. Our PS heterotic-string models contain adequate Higgs representations to break the GUT and electroweak symmetry, as well as colour Higgs triplets that can be used for the missing partner mechanism. By statistically sampling the space of Pati-Salam vacua we demonstrate the abundan...

Quasi-equilibria in reduced Liouville spaces.

Science.gov (United States)

Halse, Meghan E; Dumez, Jean-Nicolas; Emsley, Lyndon

2012-06-14

The quasi-equilibrium behaviour of isolated nuclear spin systems in full and reduced Liouville spaces is discussed. We focus in particular on the reduced Liouville spaces used in the low-order correlations in Liouville space (LCL) simulation method, a restricted-spin-space approach to efficiently modelling the dynamics of large networks of strongly coupled spins. General numerical methods for the calculation of quasi-equilibrium expectation values of observables in Liouville space are presented. In particular, we treat the cases of a time-independent Hamiltonian, a time-periodic Hamiltonian (with and without stroboscopic sampling) and powder averaging. These quasi-equilibrium calculation methods are applied to the example case of spin diffusion in solid-state nuclear magnetic resonance. We show that there are marked differences between the quasi-equilibrium behaviour of spin systems in the full and reduced spaces. These differences are particularly interesting in the time-periodic-Hamiltonian case, where simulations carried out in the reduced space demonstrate ergodic behaviour even for small spins systems (as few as five homonuclei). The implications of this ergodic property on the success of the LCL method in modelling the dynamics of spin diffusion in magic-angle spinning experiments of powders is discussed.

Study design elements for rigorous quasi-experimental comparative effectiveness research.

Science.gov (United States)

Maciejewski, Matthew L; Curtis, Lesley H; Dowd, Bryan

2013-03-01

Quasi-experiments are likely to be the workhorse study design used to generate evidence about the comparative effectiveness of alternative treatments, because of their feasibility, timeliness, affordability and external validity compared with randomized trials. In this review, we outline potential sources of discordance in results between quasi-experiments and experiments, review study design choices that can improve the internal validity of quasi-experiments, and outline innovative data linkage strategies that may be particularly useful in quasi-experimental comparative effectiveness research. There is an urgent need to resolve the debate about the evidentiary value of quasi-experiments since equal consideration of rigorous quasi-experiments will broaden the base of evidence that can be brought to bear in clinical decision-making and governmental policy-making.

Structural analysis of gluten-free doughs by fractional rheological model

Science.gov (United States)

Orczykowska, Magdalena; Dziubiński, Marek; Owczarz, Piotr

2015-02-01

This study examines the effects of various components of tested gluten-free doughs, such as corn starch, amaranth flour, pea protein isolate, and cellulose in the form of plantain fibers on rheological properties of such doughs. The rheological properties of gluten-free doughs were assessed by using the rheological fractional standard linear solid model (FSLSM). Parameter analysis of the Maxwell-Wiechert fractional derivative rheological model allows to state that gluten-free doughs present a typical behavior of viscoelastic quasi-solid bodies. We obtained the contribution dependence of each component used in preparations of gluten-free doughs (either hard-gel or soft-gel structure). The complicate analysis of the mechanical structure of gluten-free dough was done by applying the FSLSM to explain quite precisely the effects of individual ingredients of the dough on its rheological properties.

Plasma properties of quasi-one-dimensional ring

CERN Document Server

Shmelev, G M

2001-01-01

The plasma properties of the quasi-one-dimensional ring in the threshold cases of low and high frequencies, corresponding to the plasma oscillations and dielectric relaxation are studied within the frames of the classical approach. The plasma oscillations spectrum and the electron dielectric relaxation frequency in the quasi-one-dimensional ring are calculated. The plasmons spectrum equidistance is identified. It is shown , that in contrast to the three-dimensional case there takes place the dielectric relaxation dispersion, wherefrom there follows the possibility of studying the carriers distribution in the quasi-one-dimensional rings through the method of the dielectric relaxation spectroscopy

Coherent structures in compressible free-shear-layer flows

Energy Technology Data Exchange (ETDEWEB)

Aeschliman, D.P.; Baty, R.S. [Sandia National Labs., Albuquerque, NM (United States). Engineering Sciences Center; Kennedy, C.A.; Chen, J.H. [Sandia National Labs., Livermore, CA (United States). Combustion and Physical Sciences Center

1997-08-01

Large scale coherent structures are intrinsic fluid mechanical characteristics of all free-shear flows, from incompressible to compressible, and laminar to fully turbulent. These quasi-periodic fluid structures, eddies of size comparable to the thickness of the shear layer, dominate the mixing process at the free-shear interface. As a result, large scale coherent structures greatly influence the operation and efficiency of many important commercial and defense technologies. Large scale coherent structures have been studied here in a research program that combines a synergistic blend of experiment, direct numerical simulation, and analysis. This report summarizes the work completed for this Sandia Laboratory-Directed Research and Development (LDRD) project.

Diffusion-controlled reaction. V. Effect of concentration-dependent diffusion coefficient on reaction rate in graft polymerization

International Nuclear Information System (INIS)

Imre, K.; Odian, G.

1979-01-01

The effect of diffusion on radiation-initiated graft polymerization has been studied with emphasis on the single- and two-penetrant cases. When the physical properties of the penetrants are similar, the two-penetrant problems can be reduced to the single-penetrant problem by redefining the characteristic parameters of the system. The diffusion-free graft polymerization rate is assumed to be proportional to the upsilon power of the monomer concentration respectively, and, in which the proportionality constant a = k/sub p/R/sub i//sup w//k/sub t//sup z/, where k/sub p/ and k/sub t/ are the propagation and termination rate constants, respectively, and R/sub i/ is the initiation rate. The values of upsilon, w, and z depend on the particular reaction system. The results of earlier work were generalized by allowing a non-Fickian diffusion rate which predicts an essentially exponential dependence on the monomer concentration of the diffusion coefficient, D = D 0 [exp(deltaC/M)], where M is the saturation concentration. A reaction system is characterized by the three dimensionless parameters, upsilon, delta, and A = (L/2)[aM/sup (upsilon--1)//D 0 ]/sup 1/2/, where L is the polymer film thickness. Graft polymerization tends to become diffusion controlled as A increases. Larger values of delta and ν cause a reaction system to behave closer to the diffusion-free regime. Transition from diffusion-free to diffusion-controlled reaction involves changes in the dependence of the reaction rate on film thickness, initiation rate, and monomer concentration. Although the diffusion-free rate is w order in initiation rate, upsilon order in monomer, and independent of film thickness, the diffusion-controlled rate is w/2 order in initiator rate and inverse first-order in film thickness. Dependence of the diffusion-controlled rate on monomer is dependent in a complex manner on the diffusional characteristics of the reaction system. 11 figures, 4 tables

Quasi-exact solvability

International Nuclear Information System (INIS)

Ushveridze, A.G.

1992-01-01

This paper reports that quasi-exactly solvable (QES) models realize principally new type of exact solvability in quantum physics. These models are distinguished by the fact that the Schrodinger equations for them can be solved exactly only for certain limited parts of the spectrum, but not for the whole spectrum. They occupy an intermediate position between the exactly the authors solvable (ES) models and all the others. The number of energy levels for which the spectral problems can be solved exactly refer below to as the order of QES model. From the mathematical point of view the existence of QES models is not surprising. Indeed, if the term exact solvability expresses the possibility of total explicit diagonalization of infinite Hamiltonian matrix, then the term quasi-exact solvability implies the situation when the Hamiltonian matrix can be reduced explicitly to the block-diagonal form with one of the appearing blocks being finite

Some Hermite–Hadamard Type Inequalities for Geometrically Quasi ...

Indian Academy of Sciences (India)

Abstract. In the paper, we introduce a new concept 'geometrically quasi-convex function' and establish some Hermite–Hadamard type inequalities for functions whose derivatives are of geometric quasi-convexity.

A free-volume modification of GEM-QC to correlate VLE and LLE in polymer solutions

International Nuclear Information System (INIS)

Radfarnia, H.R.; Taghikhani, V.; Ghotbi, C.; Khoshkbarchi, M.K.

2004-01-01

The generalized quasi-chemical (GEM-QC) model proposed by Wang and Vera is modified to correlate better the phase equilibrium and to overcome the shortcoming of the original model to predict the lower critical solution temperature (LCST) of binary polymer solutions. This shortcoming is mainly because the GEM-QC model does not consider the effect of free-volume, which is important in systems containing molecules with large size differences. The proposed modification is based on replacing the combinatorial term of the GEM-QC model by a term proposed by Kontogerogis et al., which includes the effect of the free-volume. The main advantage of the free volume generalized quasi-chemical (GEM-QC-FV) model over the original GEM-QC is its ability to predict the phase behaviour of binary polymer solutions with LCST behaviour. In addition, the free volume UNIQUAC (UNIQUAC-FV) model is used to correlate VLE and LLE experimental data for binary polymer solutions. The comparison of the results obtained from the GEM-QC-FV model and the UNIQUAC-FV model shows the superiority of the GEM-QC-FV model in correlating the VLE and LLE experimental data for binary polymer solutions

Magnetic Pd-Fe{sub 3}O{sub 4} heterodimer nanocrystals as recoverable catalysts for ligand-free hiyama cross-coupling reactions

Energy Technology Data Exchange (ETDEWEB)

Lee, Woong Sup; Byun, Sang Moon; Kwon, Jung Min; Kim, B. Moon [Dept. of Chemistry, College of Natural Sciences, Seoul National University, Seoul (Korea, Republic of)

2016-12-15

Ligand-free Hiyama cross-coupling reaction was achieved through the use of Pd-Fe{sub 3}O{sub 4} heterodimeric nanocrystals (1 mol% in Pd) as recyclable catalysts. The nanocrystal catalysts exhibited good activities accommodating a variety of substrates including aryl bromides and iodides with substituents of varying electronic and steric properties. Furthermore, the nanocrystal catalyst could be conveniently recovered with the aid of an external magnet and recycled five times without the loss of catalytic activity to a considerable degree.

Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reactions in nanoporous materials.

Science.gov (United States)

Ackerman, David M; Wang, Jing; Evans, James W

2012-06-01

Behavior of catalytic reactions in narrow pores is controlled by a delicate interplay between fluctuations in adsorption-desorption at pore openings, restricted diffusion, and reaction. This behavior is captured by a generalized hydrodynamic formulation of appropriate reaction-diffusion equations (RDE). These RDE incorporate an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The RDE elucidate the nonexponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth.

ϕ-statistically quasi Cauchy sequences

Directory of Open Access Journals (Sweden)

Bipan Hazarika

2016-04-01

Full Text Available Let P denote the space whose elements are finite sets of distinct positive integers. Given any element σ of P, we denote by p(σ the sequence {pn(σ} such that pn(σ=1 for n ∈ σ and pn(σ=0 otherwise. Further Ps={σ∈P:∑n=1∞pn(σ≤s}, i.e. Ps is the set of those σ whose support has cardinality at most s. Let (ϕn be a non-decreasing sequence of positive integers such that nϕn+1≤(n+1ϕn for all n∈N and the class of all sequences (ϕn is denoted by Φ. Let E⊆N. The number δϕ(E=lims→∞1ϕs|{k∈σ,σ∈Ps:k∈E}| is said to be the ϕ-density of E. A sequence (xn of points in R is ϕ-statistically convergent (or Sϕ-convergent to a real number ℓ for every ε > 0 if the set {n∈N:|xn−ℓ|≥ɛ} has ϕ-density zero. We introduce ϕ-statistically ward continuity of a real function. A real function is ϕ-statistically ward continuous if it preserves ϕ-statistically quasi Cauchy sequences where a sequence (xn is called to be ϕ-statistically quasi Cauchy (or Sϕ-quasi Cauchy when (Δxn=(xn+1−xn is ϕ-statistically convergent to 0. i.e. a sequence (xn of points in R is called ϕ-statistically quasi Cauchy (or Sϕ-quasi Cauchy for every ε > 0 if {n∈N:|xn+1−xn|≥ɛ} has ϕ-density zero. Also we introduce the concept of ϕ-statistically ward compactness and obtain results related to ϕ-statistically ward continuity, ϕ-statistically ward compactness, statistically ward continuity, ward continuity, ward compactness, ordinary compactness, uniform continuity, ordinary continuity, δ-ward continuity, and slowly oscillating continuity.

Notable light-free catalytic activity for pollutant destruction over flower-like BiOI microspheres by a dual-reaction-center Fenton-like process.

Science.gov (United States)

Wang, Liang; Yan, Dengbiao; Lyu, Lai; Hu, Chun; Jiang, Ning; Zhang, Lili

2018-10-01

BiOI is widely used as photocatalysts for pollutant removal, water splitting, CO 2 reduction and organic transformation due to its excellent photoelectric properties. Here, we report for the first time that a light-free catalyst consisting of the flower-like BiOI microspheres (f-BiOI MSs) exposing (1 0 1) and (1 1 0) crystal planes prepared by a hydrothermal method in ethylene glycol environment can rapidly eliminate the refractory BPA within only ∼3 min through a Fenton-like process. The reaction activity is ∼190 times higher than that of the conventional Fenton catalyst Fe 2 O 3 . A series of characterizations and experiments reveal the formation of the dual reaction centers on f-BiOI MSs. The electron-rich O centers efficiently reduce H 2 O 2 to OH, while the electron-poor oxygen vacancies capture electrons from the adsorbed pollutants and divert them to the electron-rich area during the Fenton-like reactions. By these processes, pollutants are degraded and mineralized quickly in a wide pH range. Our findings address the problems of the classical Fenton reaction and are useful for the development of efficient Fenton-like catalysts through constructing dual reaction centers. Copyright © 2018 Elsevier Inc. All rights reserved.

Production of strange particles in antineutrino interactions at the CERN PS

CERN Document Server

Erriquez, O; Bisi, V; Bonetti, S; Bonneaud, G; Bullock, F W; Cavalli, D; Escoubés, B; Fogli-Muciaccia, M T; Franzinetti, Carlo; Gamba, D; Guyonnet, J L; Halsteinslid, A; Huss, D; Jarlskog, C; Jones, T W; Marzari-Chiesa, A; Michette, A G; Myklebost, K; Natali, S; Nuzzo, S; Paty, M; Pullia, A; Racca, C; Riccati, L; Riester, J L; Rognebakke, A; Rollier, M; Romero, A; Sacco, R; Schäffer, M; Skjeggestad, O; Tvedt, B

1978-01-01

The authors have studied neutral strange particle production in the bubble chamber Gargamelle filled with propane and exposed to antineutrinos from the CERN PS. Cross sections are presented for Lambda , Sigma /sup 0/ and K/sup 0/ production. Associated production reactions ( Delta S=0) have been observed in the charged and the neutral current channels. From 45 candidates for the quasi-elastic reaction nu p to mu /sup +/ Lambda , on bound and free protons, estimates of the axial transition form factor M/sub A/ have been made using the total cross section and the t distribution. The weighted average from the two methods is M/sub A/=862+or-190 MeV. From a subsample of 15 candidates for nu interactions on free protons in propane, with (28+or-6)% background from nu interactions on bound protons, M/sub A/=883+or-243 MeV is obtained. The polarization of the Lambda hyperons has been studied for the quasi-elastic reaction. (11 refs).

Quasi spin pairing and the structure of the Lipkin model

International Nuclear Information System (INIS)

Cambiaggio, M.C.; Plastino, A.

1978-01-01

By introducing the concepts of quasi-spin pairing and quasi-spin seniority, the Lipkin model is extended to a variable number of particles. The properties of quasi-spin pairing are seen to be quite similar to those of ordinary pairing. The quasi-spin seniority allows one to obtain a simple classification of excited multiplets. A 'pairing plus monopole' model is studied in connection with the Hartree-Fock theory. (orig.) [de

Quasi-particle properties in a quasi-two-dimensional electron liquid

Indian Academy of Sciences (India)

effects are incorporated into the local-field factors that describe the charge and spin correla- ... dient of which is the quasi-particle concept and its interactions. .... factors. Note that we have approximated the local-field factors by their static, frequency-independent limits. Quite generally, once the QP self-energy is known, the ...

Free radical reactions of hematoporphyrin: a pulse radiolysis study