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Sample records for exchange electron

  1. Effective exchange potentials for electronically inelastic scattering

    International Nuclear Information System (INIS)

    Schwenke, D.W.; Staszewska, G.; Truhlar, D.G.

    1983-01-01

    We propose new methods for solving the electron scattering close coupling equations employing equivalent local exchange potentials in place of the continuum-multiconfiguration-Hartree--Fock-type exchange kernels. The local exchange potentials are Hermitian. They have the correct symmetry for any symmetries of excited electronic states included in the close coupling expansion, and they have the same limit at very high energy as previously employed exchange potentials. Comparison of numerical calculations employing the new exchange potentials with the results obtained with the standard nonlocal exchange kernels shows that the new exchange potentials are more accurate than the local exchange approximations previously available for electronically inelastic scattering. We anticipate that the new approximations will be most useful for intermediate-energy electronically inelastic electron--molecule scattering

  2. Electron exchange reaction in anion exchangers as observed in uranium isotope separation

    International Nuclear Information System (INIS)

    Obanawa, Heiichiro; Takeda, Kunihiko; Seko, Maomi

    1991-01-01

    The mechanism of electron exchange in an ion exchanger, as occurring between U 4+ and UO 2 2+ in uranium isotope separation, was investigated. The height of the separation unit (H q ) in the presence of metal ion catalysts, as obtained from the separation experiments, was found to be almost coincident with the theoretical value of H q as calculated on the basis of the intrasolution acceleration mechanism of the metal ion, suggesting that the electron exchange mechanism in the ion-exchanger is essentially the same as that in the solution when metal ion catalysts are present. Separation experiments with no metal ion catalyst, on the other hand, showed the electron exchange reaction in the ion exchanger to be substantially higher than that in the solution, suggesting an acceleration of the electron exchange reaction by the ion-exchanger which is due to the close existence of higher order Cl - complexes of UO 2 2+ and U 4+ in the vicinity of the ion-exchange group. (author)

  3. Nonlinear electron-phonon heat exchange

    International Nuclear Information System (INIS)

    Woods, L.M.; Mahan, G.D.

    1998-01-01

    A calculation of the energy exchange between phonons and electrons is done for a metal at very low temperatures. We consider the energy exchange due to two-phonon processes. Second-order processes are expected to be important at temperatures less than 1 K. We include two different second-order processes: (i) the Compton-like scattering of phonons, and (ii) the electron-dual-phonon scattering from the second-order electron-phonon interaction. It is found that the Compton-like process contains a singular energy denominator. The singularity is removed by introducing quasiparticle damping. For pure metals we find that the energy exchange depends upon the lifetime of the electrons and it is proportional to the temperature of the lattice as T L 8 . The same calculation is performed for the electron-dual-phonon scattering and it is found that the temperature dependence is T L 9 . The results can be applied to quantum dot refrigerators. copyright 1998 The American Physical Society

  4. Physician capability to electronically exchange clinical information, 2011.

    Science.gov (United States)

    Patel, Vaishali; Swain, Matthew J; King, Jennifer; Furukawa, Michael F

    2013-10-01

    To provide national estimates of physician capability to electronically share clinical information with other providers and to describe variation in exchange capability across states and electronic health record (EHR) vendors using the 2011 National Ambulatory Medical Care Survey Electronic Medical Record Supplement. Survey of a nationally representative sample of nonfederal office-based physicians who provide direct patient care. The survey was administered by mail with telephone follow-up and had a 61% weighted response rate. The overall sample consisted of 4326 respondents. We calculated estimates of electronic exchange capability at the national and state levels, and applied multivariate analyses to examine the association between the capability to exchange different types of clinical information and physician and practice characteristics. In 2011, 55% of physicians had computerized capability to send prescriptions electronically; 67% had the capability to view lab results electronically; 42% were able to incorporate lab results into their EHR; 35% were able to send lab orders electronically; and, 31% exchanged patient clinical summaries with other providers. The strongest predictor of exchange capability is adoption of an EHR. However, substantial variation exists across geography and EHR vendors in exchange capability, especially electronic exchange of clinical summaries. In 2011, a majority of office-based physicians could exchange lab and medication data, and approximately one-third could exchange clinical summaries with patients or other providers. EHRs serve as a key mechanism by which physicians can exchange clinical data, though physicians' capability to exchange varies by vendor and by state.

  5. Electron self-exchange in hemoglobins revealed by deutero-hemin substitution.

    Science.gov (United States)

    Athwal, Navjot Singh; Alagurajan, Jagannathan; Sturms, Ryan; Fulton, D Bruce; Andreotti, Amy H; Hargrove, Mark S

    2015-09-01

    Hemoglobins (phytoglobins) from rice plants (nsHb1) and from the cyanobacterium Synechocystis (PCC 6803) (SynHb) can reduce hydroxylamine with two electrons to form ammonium. The reaction requires intermolecular electron transfer between protein molecules, and rapid electron self-exchange might play a role in distinguishing these hemoglobins from others with slower reaction rates, such as myoglobin. A relatively rapid electron self-exchange rate constant has been measured for SynHb by NMR, but the rate constant for myoglobin is equivocal and a value for nsHb1 has not yet been measured. Here we report electron self-exchange rate constants for nsHb1 and Mb as a test of their role in hydroxylamine reduction. These proteins are not suitable for analysis by NMR ZZ exchange, so a method was developed that uses cross-reactions between each hemoglobin and its deutero-hemin substituted counterpart. The resulting electron transfer is between identical proteins with low driving forces and thus closely approximates true electron self-exchange. The reactions can be monitored spectrally due to the distinct spectra of the prosthetic groups, and from this electron self-exchange rate constants of 880 (SynHb), 2900 (nsHb1), and 0.05M(-1) s(-1) (Mb) have been measured for each hemoglobin. Calculations of cross-reactions using these values accurately predict hydroxylamine reduction rates for each protein, suggesting that electron self-exchange plays an important role in the reaction. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. Comparison of local exchange potentials for electron--N2 scattering

    International Nuclear Information System (INIS)

    Rumble, J.R. Jr.; Truhlar, D.G.

    1980-01-01

    We consider vibrationally and electronically elastic electron scattering by N 2 at 2--30 eV impact energy. We consider static, static-exchange, and static--exchange-plus-polarization potentials, Cade--Sales--Wahl and INDO/1s wave functions, and semiclassical exchange and Hara free-electron--gas exchange potentials. We show that the semiclassical exchange approximation is too attractive at low energy for N 2 . We show quantitatively by consideration of partial and total integral cross sections how the effects of approximations to exchange become smaller as the incident energy is increased until these differences are about 8% for the total integral cross section at 30 eV

  7. Effects of electron beam irradiation on inorganic exchanger AMP

    International Nuclear Information System (INIS)

    Rao, K.L.N.; Mathew, C.; Deshpande, R.S.; Jadhav, A.V.; Pande, B.M.; Shukla, J.P.

    1996-01-01

    The heteropolyacid salt inorganic exchanger ammonium molybdophosphate (AMP) was subjected to an electron dose upto 2 MGy to assess any possible radiation damage. The breakthrough and total exchange capacity of AMP for Cs + from simulated fission product solutions were determined for both control and irradiated samples. The scanning electron microscopy (SEM) and energy dispersive x-ray analysis (EDX) were deployed to examine any marked microscopic changes taking place in this exchanger. (author). 3 refs., 3 figs

  8. Electronic structure and exchange interactions in GdB{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Baranovskiy, A., E-mail: andriy.baranovskiy@gmail.com; Grechnev, A.

    2015-02-01

    The electronic structure of the antiferromagnetic Shastry–Sutherland compound GdB{sub 4} has been analyzed with density functional theory and the all-electron full-potential linearized augmented-plane wave (FP-LAPW) code. Different magnetic configurations, including the realistic dimer one, have been considered. The exchange interactions were found to be J{sub 1}/k{sub B}=−12K and J{sub 2}/k{sub B}=−2–0.8K, where, J{sub 1} and J{sub 2} are the diagonal exchange interaction and the exchange interaction along the edges of a square, respectively. - Highlights: • Electronic structure of AFM Shastry–Sutherland compound GB{sub 4} is calculated. • The mechanism of exchange parameters evaluation within Heisenberg model is proposed. • Calculated exchange parameters are found to be in agreement with experimental data. • Higher-order exchange interactions are important for dimer structure stabilizing.

  9. Standardized structure of electronic records for information exchange

    International Nuclear Information System (INIS)

    Galabova, Sevdalina; Trencheva, Tereza; Trenchev, Ivan

    2009-01-01

    In the paper is presented the structure of the electronic record whose form is standardized in ISO 2709:2008. This International Standard describes a generalized structure, a framework designed specially for communications between data processing systems and not for use as a processing format within systems.Basic terms are defined as follows: character, data field, directory, directory map, field, field separator etc. It’s presented the general structure of a record. The application analysis of this structure shows the effective information exchange in the widest range.The purpose of this research is to find out advantages and structure of the information exchange format standardized in ISO 2709:2008. Key words: Standardized structure, electronic records, exchange formats, data field, directory, directory map, indicators, identifiers

  10. On the proton exchange contribution to electron-hydrogen atom elastic scattering

    International Nuclear Information System (INIS)

    Mignaco, J.A.; Tort, A.C.

    1979-05-01

    It is shown that the exchange contribution to the electron-proton potential Born term in elastic electron-hydrogen atom scattering arises as the non relativistic limit from the exchange of a proton between the two participant electrons - calculated from quantum electrodynamics including properly bound states (as solution of Bethe - Salpeter equation). (Author) [pt

  11. Exact exchange-correlation potentials of singlet two-electron systems

    Science.gov (United States)

    Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

    2017-10-01

    We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

  12. Application of models for exchange of electronic documents in complex administrative services

    International Nuclear Information System (INIS)

    Glavev, Victor

    2015-01-01

    The report presents application of models for exchange of electronic documents between different administrations in government and business sectors. It shows the benefits of implementing electronic exchange of documents between different local offices of one administration in government sector such as a municipality and the way it is useful for implementing complex administrative services

  13. Application of models for exchange of electronic documents in complex administrative services

    Energy Technology Data Exchange (ETDEWEB)

    Glavev, Victor

    2015-11-30

    The report presents application of models for exchange of electronic documents between different administrations in government and business sectors. It shows the benefits of implementing electronic exchange of documents between different local offices of one administration in government sector such as a municipality and the way it is useful for implementing complex administrative services.

  14. 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/

  15. Energy exchange in strongly coupled plasmas with electron drift

    International Nuclear Information System (INIS)

    Akbari-Moghanjoughi, M.; Ghorbanalilu, M.

    2015-01-01

    In this paper, the generalized viscoelastic collisional quantum hydrodynamic model is employed in order to investigate the linear dielectric response of a quantum plasma in the presence of strong electron-beam plasma interactions. The generalized Chandrasekhar's relativistic degeneracy pressure together with the electron-exchange and Coulomb interaction effects are taken into account in order to extend current research to a wide range of plasma number density relevant to big planetary cores and astrophysical compact objects. The previously calculated shear viscosity and the electron-ion collision frequencies are used for strongly coupled ion fluid. The effect of the electron-beam velocity on complex linear dielectric function is found to be profound. This effect is clearly interpreted in terms of the wave-particle interactions and their energy-exchange according to the sign of the imaginary dielectric function, which is closely related to the wave attenuation coefficient in plasmas. Such kinetic effect is also shown to be in close connection with the stopping power of a charged-particle beam in a quantum plasma. The effect of many independent plasma parameters, such as the ion charge-state, electron beam-velocity, and relativistic degeneracy, is shown to be significant on the growing/damping of plasma instability or energy loss/gain of the electron-beam

  16. Facilitating the Information Exchange Using a Modular Electronic Discharge Summary.

    Science.gov (United States)

    Denecke, Kerstin; Dittli, Pascal A; Kanagarasa, Niveadha; Nüssli, Stephan

    2018-01-01

    Discharge summaries are a standard communication tool delivering important clinical information from inpatient to ambulatory care. To ensure a high quality, correctness and completeness, the generation process is time consuming. It requires also contributions of multiple persons. This is problematic since the primary care provider needs the information from the discharge summary for continuing the intended treatment. To address this challenge, we developed a concept for exchanging a modular electronic discharge summary. Through a literature review and interviews with multiple stakeholders, we analysed existing processes and derived requirements for an improved communication of the discharge summary. In this paper, we suggest a concept of a modular electronic discharge summary that is exchanged through the electronic patient dossier in CDA CH level 2 documents. Until 2020, all Swiss hospitals are obliged to connect to the electronic patient dossier. Our concept allows to access already completed modules of the discharge summary from the primary care side, before the entire report is entirely finalised. The data is automatically merged with the local patient record on the physician side and prepared for data integration into the practice information system. Our concept offers the opportunity not only to improve the information exchange between hospital and primary care, but it also provides a potential use case and demonstrates a benefit of the electronic patient dossier for primary care providers who are so far not obliged to connect to the patient dossier in Switzerland.

  17. Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

    Science.gov (United States)

    Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

    2012-12-01

    We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

  18. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    Science.gov (United States)

    Sun, Jianwei; Perdew, John P.; Yang, Zenghui; Peng, Haowei

    2016-05-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  19. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jianwei; Yang, Zenghui; Peng, Haowei [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Perdew, John P. [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States); Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122 (United States)

    2016-05-21

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  20. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems

    International Nuclear Information System (INIS)

    Sun, Jianwei; Yang, Zenghui; Peng, Haowei; Perdew, John P.

    2016-01-01

    The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively charged background, and the latter only one electron bound to the proton. The uniform electron gas was used to derive the local spin density approximation to the exchange-correlation functional that undergirds the development of the Kohn-Sham density functional theory. We show here that the ground-state exchange-correlation energies of the hydrogen atom and many other 1- and 2-electron systems are modeled surprisingly well by a different local spin density approximation (LSDA0). LSDA0 is constructed to satisfy exact constraints but agrees surprisingly well with the exact results for a uniform two-electron density in a finite, curved three-dimensional space. We also apply LSDA0 to excited or noded 1-electron densities, where it works less well. Furthermore, we show that the localization of the exact exchange hole for a 1- or 2-electron ground state can be measured by the ratio of the exact exchange energy to its optimal lower bound.

  1. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    International Nuclear Information System (INIS)

    Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

    1992-01-01

    The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

  2. Management of laboratory data and information exchange in the electronic health record.

    Science.gov (United States)

    Wilkerson, Myra L; Henricks, Walter H; Castellani, William J; Whitsitt, Mark S; Sinard, John H

    2015-03-01

    In the era of the electronic health record, the success of laboratories and pathologists will depend on effective presentation and management of laboratory information, including test orders and results, and effective exchange of data between the laboratory information system and the electronic health record. In this third paper of a series that explores empowerment of pathology in the era of the electronic health record, we review key elements of managing laboratory information within the electronic health record and examine functional issues pertinent to pathologists and laboratories in the exchange of laboratory information between electronic health records and both anatomic and clinical pathology laboratory information systems. Issues with electronic order-entry and results-reporting interfaces are described, and considerations for setting up these interfaces are detailed in tables. The role of the laboratory medical director as mandated by the Clinical Laboratory Improvement Amendments of 1988 and the impacts of discordance between laboratory results and their display in the electronic health record are also discussed.

  3. Electronic properties of antiferromagnetic UBi2 metal by exact exchange for correlated electrons method

    Directory of Open Access Journals (Sweden)

    E Ghasemikhah

    2012-03-01

    Full Text Available This study investigated the electronic properties of antiferromagnetic UBi2 metal by using ab initio calculations based on the density functional theory (DFT, employing the augmented plane waves plus local orbital method. We used the exact exchange for correlated electrons (EECE method to calculate the exchange-correlation energy under a variety of hybrid functionals. Electric field gradients (EFGs at the uranium site in UBi2 compound were calculated and compared with the experiment. The EFGs were predicted experimentally at the U site to be very small in this compound. The EFG calculated by the EECE functional are in agreement with the experiment. The densities of states (DOSs show that 5f U orbital is hybrided with the other orbitals. The plotted Fermi surfaces show that there are two kinds of charges on Fermi surface of this compound.

  4. Accelerated electron exchange between U4+ and UO22+ by foreign metal ions

    International Nuclear Information System (INIS)

    Obanawa, Heiichiro; Onitsuka, Hatsuki; Takeda, Kunihiko

    1990-01-01

    The rate constant of U 4+ -UO 2 2+ electron exchange (k et ) was increased by more than 100 times in the presence of various metal ions. The larger rate constant was observed for the smaller difference of the standard reduction potential strength between metal ion and UO 2 2+ ion (Δμ θ e ). Detailed investigation of the electron exchange reaction in the presence of Mo 5+ suggested that the mechanism of the electron transfer reaction catalyzed by metal ions is the outer-sphere type independent of U-Clcomplex ions. (author)

  5. Household of care in electronic health information exchange systems

    CSIR Research Space (South Africa)

    Sibiya, Mhlupheki G

    2017-09-01

    Full Text Available by the organisation have presented the protocols and message profiles that can be used for communication among the systems within Electronic Health Information Exchange (HIE)[17, 6]. HIE “allows doctors, nurses, pharmacists, other healthcare providers and patients...

  6. Geometrical contributions to the exchange constants: Free electrons with spin-orbit interaction

    Science.gov (United States)

    Freimuth, Frank; Blügel, Stefan; Mokrousov, Yuriy

    2017-05-01

    Using thermal quantum field theory, we derive an expression for the exchange constant that resembles Fukuyama's formula for orbital magnetic susceptibility (OMS). Guided by this formal analogy between the exchange constant and OMS, we identify a contribution to the exchange constant that arises from the geometrical properties of the band structure in mixed phase space. We compute the exchange constants for free electrons and show that the geometrical contribution is generally important. Our formalism allows us to study the exchange constants in the presence of spin-orbit interaction. Thereby, we find sizable differences between the exchange constants of helical and cycloidal spin spirals. Furthermore, we discuss how to calculate the exchange constants based on a gauge-field approach in the case of the Rashba model with an additional exchange splitting, and we show that the exchange constants obtained from this gauge-field approach are in perfect agreement with those obtained from the quantum field theoretical method.

  7. Quantum computation in semiconductor quantum dots of electron-spin asymmetric anisotropic exchange

    International Nuclear Information System (INIS)

    Hao Xiang; Zhu Shiqun

    2007-01-01

    The universal quantum computation is obtained when there exists asymmetric anisotropic exchange between electron spins in coupled semiconductor quantum dots. The asymmetric Heisenberg model can be transformed into the isotropic model through the control of two local unitary rotations for the realization of essential quantum gates. The rotations on each qubit are symmetrical and depend on the strength and orientation of asymmetric exchange. The implementation of the axially symmetric local magnetic fields can assist the construction of quantum logic gates in anisotropic coupled quantum dots. This proposal can efficiently use each physical electron spin as a logical qubit in the universal quantum computation

  8. Two-photon exchange in elastic electron-nucleon scattering

    International Nuclear Information System (INIS)

    Blunden, P.G.; Melnitchouk, W.; Tjon, J.A.

    2005-01-01

    A detailed study of two-photon exchange in unpolarized and polarized elastic electron-nucleon scattering is presented, taking particular account of nucleon finite size effects. Contributions from nucleon elastic intermediate states are found to have a strong angular dependence, which leads to a partial resolution of the discrepancy between the Rosenbluth and polarization transfer measurements of the proton electric to magnetic form factor ratio, G E /G M . The two-photon exchange contribution to the longitudinal polarization transfer P L is small, whereas the contribution to the transverse polarization transfer P T is enhanced at backward angles by several percent, increasing with Q 2 . This gives rise to a small, E /G M obtained from the polarization transfer ratio P T /P L at large Q 2 . We also compare the two-photon exchange effects with data on the ratio of e + p to e - p cross sections, which is predicted to be enhanced at backward angles. Finally, we evaluate the corrections to the form factors of the neutron and estimate the elastic intermediate state contribution to the 3 He form factors

  9. Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

    Science.gov (United States)

    Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

    2017-12-01

    The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

  10. Exchange energy of inhomogenous electron gas near a metal surface

    International Nuclear Information System (INIS)

    Miglio, L.; Tosi, M.P.; March, N.H.

    1980-12-01

    Using the first-order density matrix of an infinite-barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of distance z from the barrier. This result is compared with the local approximation -3/4e 2 (3/π)sup(1/3) rhosup(4/3)(z) where rho is the electron density in the model. The local approximation is demonstrated to be quantitatively accurate at all z. The integrated surface exchange energy is given to within 3% by the local theory. (author)

  11. Exchange Enhancement of the Electron-Phonon Interaction: The Case of Weakly Doped Two-Dimensional Multivalley Semiconductors

    Science.gov (United States)

    Pamuk, Betül; Zoccante, Paolo; Baima, Jacopo; Mauri, Francesco; Calandra, Matteo

    2018-04-01

    The effect of the exchange interaction on the vibrational properties and on the electron-phonon coupling were investigated in several recent works. In most of the cases, exchange tends to enhance the electron-phonon interaction, although the motivations for such behaviour are not completely understood. Here we consider the class of weakly doped two-dimensional multivalley semiconductors and we demonstrate that a more global picture emerges. In particular we show that in these systems, at low enough doping, even a moderate electron-electron interaction enhances the response to any perturbation inducing a valley polarization. If the valley polarization is due to the electron-phonon coupling, the electron-electron interaction results in an enhancement of the superconducting critical temperature. We demonstrate the applicability of the theory by performing random phase approximation and first principles calculations in transition metal chloronitrides. We find that exchange is responsible for the enhancement of the superconducting critical temperature in LixZrNCl and that much larger Tcs could be obtained in intercalated HfNCl if the synthesis of cleaner samples could remove the Anderson insulating state competing with superconductivity.

  12. Fe electron transfer and atom exchange in goethite: influence of Al-substitution and anion sorption.

    Science.gov (United States)

    Latta, Drew E; Bachman, Jonathan E; Scherer, Michelle M

    2012-10-02

    The reaction of Fe(II) with Fe(III) oxides and hydroxides is complex and includes sorption of Fe(II) to the oxide, electron transfer between sorbed Fe(II) and structural Fe(III), reductive dissolution coupled to Fe atom exchange, and, in some cases mineral phase transformation. Much of the work investigating electron transfer and atom exchange between aqueous Fe(II) and Fe(III) oxides has been done under relatively simple aqueous conditions in organic buffers to control pH and background electrolytes to control ionic strength. Here, we investigate whether electron transfer is influenced by cation substitution of Al(III) in goethite and the presence of anions such as phosphate, carbonate, silicate, and natural organic matter. Results from (57)Fe Mössbauer spectroscopy indicate that both Al-substitution (up to 9%) and the presence of common anions (PO(4)(3-), CO(3)(2-), SiO(4)(4-), and humic acid) does not inhibit electron transfer between aqueous Fe(II) and Fe(III) in goethite under the conditions we studied. In contrast, sorption of a long-chain phospholipid completely shuts down electron transfer. Using an enriched isotope tracer method, we found that Al-substitution in goethite (10%), does, however, significantly decrease the extent of atom exchange between Fe(II) and goethite (from 43 to 12%) over a month's time. Phosphate, somewhat surprisingly, appears to have little effect on the rate and extent of atom exchange between aqueous Fe(II) and goethite. Our results show that electron transfer between aqueous Fe(II) and solid Fe(III) in goethite can occur under wide range of geochemical conditions, but that the extent of redox-driven Fe atom exchange may be dependent on the presence of substituting cations such as Al.

  13. Quantum-Dynamical Theory of Electron Exchange Correlation

    Directory of Open Access Journals (Sweden)

    Burke Ritchie

    2013-01-01

    aggregate, is elucidated. The relationship depends on the use of spin-dependent quantum trajectories (SDQT to evaluate Coulomb’s law between any two electrons as an instantaneous interaction in space and time rather than as a quantum-mean interaction in the form of screening and exchange potentials. Hence FDS depends in an ab initio sense on the inference of SDQT from Dirac’s equation, which provides for relativistic Lorentz invariance and a permanent magnetic moment (or spin in the electron’s equation of motion. Schroedinger’s time-dependent equation can be used to evaluate the SDQT in the nonrelativistic regime of electron velocity. Remarkably FDS is a relativistic property of an ensemble of electron, even though it is of order c0 in the nonrelativistic limit, in agreement with experimental observation. Finally it is shown that covalent versus separated-atoms limits can be characterized by the SDQT. As an example of the use of SDQT in a canonical structure problem, the energies of the 1Σg and 3Σu states of H2 are calculated and compared with the accurate variational energies of Kolos and Wolniewitz.

  14. Theoretical modeling of the electronic structure and exchange interactions in a Cu(II)Pc one-dimensional chain

    Science.gov (United States)

    Wu, Wei; Fisher, A. J.; Harrison, N. M.

    2011-07-01

    We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine [Cu(II)Pc] crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green’s function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap, and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α and β phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

  15. Building a national electronic medical record exchange system - experiences in Taiwan.

    Science.gov (United States)

    Li, Yu-Chuan Jack; Yen, Ju-Chuan; Chiu, Wen-Ta; Jian, Wen-Shan; Syed-Abdul, Shabbir; Hsu, Min-Huei

    2015-08-01

    There are currently 501 hospitals and about 20,000 clinics in Taiwan. The National Health Insurance (NHI) system, which is operated by the NHI Administration, uses a single-payer system and covers 99.9% of the nation's total population of 23,000,000. Taiwan's NHI provides people with a high degree of freedom in choosing their medical care options. However, there is the potential concern that the available medical resources will be overused. The number of doctor consultations per person per year is about 15. Duplication of laboratory tests and prescriptions are not rare either. Building an electronic medical record exchange system is a good method of solving these problems and of improving continuity in health care. In November 2009, Taiwan's Executive Yuan passed the 'Plan for accelerating the implementation of electronic medical record systems in medical institutions' (2010-2012; a 3-year plan). According to this plan, a patient can, at any hospital in Taiwan, by using his/her health insurance IC card and physician's medical professional IC card, upon signing a written agreement, retrieve all important medical records for the past 6 months from other participating hospitals. The focus of this plan is to establish the National Electronic Medical Record Exchange Centre (EEC). A hospital's information system will be connected to the EEC through an electronic medical record (EMR) gateway. The hospital will convert the medical records for the past 6 months in its EMR system into standardized files and save them on the EMR gateway. The most important functions of the EEC are to generate an index of all the XML files on the EMR gateways of all hospitals, and to provide search and retrieval services for hospitals and clinics. The EEC provides four standard inter-institution EMR retrieval services covering medical imaging reports, laboratory test reports, discharge summaries, and outpatient records. In this system, we adopted the Health Level 7 (HL7) Clinical Document

  16. Syntrophic growth with direct interspecies electron transfer as the primary mechanism for energy exchange

    DEFF Research Database (Denmark)

    Shrestha, Pravin Malla; Rotaru, Amelia-Elena; Aklujkar, Muktak

    2013-01-01

    Direct interspecies electron transfer (DIET) through biological electrical connections is an alternative to interspecies H2 transfer as a mechanism for electron exchange in syntrophic cultures. However, it has not previously been determined whether electrons received via DIET yield energy...... dehydrogenase, the pilus-associated c-type cytochrome OmcS and pili consistent with electron transfer via DIET. These results suggest that electrons transferred via DIET can serve as the sole energy source to support anaerobic respiration....

  17. Consumer perceptions of electronic health information exchange.

    Science.gov (United States)

    Ancker, Jessica S; Edwards, Alison M; Miller, Melissa C; Kaushal, Rainu

    2012-07-01

    Public support will be critical to the success and long-term sustainability of electronic health information exchange (HIE) initiatives currently promoted by federal policy. The goal of this study was to assess consumer perceptions of HIE in a state (New York) with a 6-year history of successful HIE organizations. The Empire State Poll is a random-digit-dial telephone survey of adult New York State residents conducted annually by the Survey Research Institute at Cornell University. In 2011, it contained 77 items. The survey was conducted and data were analyzed in 2011. Eight hundred respondents participated (71% response rate). Large majorities supported HIE among healthcare providers (69%); thought it would improve quality of care (68%); and supported "break the glass" access to HIE data without need for consent in emergencies (90%). Support was lower among people who rated large corporations as less trustworthy. Privacy and security concerns were expressed by 68%. Respondents were supportive whether the architecture involved a physician sending data to another physician, a physician sending data to a patient who could send it to other physicians, or a physician accessing data from other institutions. In New York, public support for HIE is strong. Policy and outreach pertaining to this type of exchange may be most effective if it clarifies the roles and responsibilities of large businesses involved in different aspects of the exchange, and privacy and security controls. Differing architectures received similar levels of support. Copyright © 2012 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

  18. Factors Influencing Electronic Clinical Information Exchange in Small Medical Group Practices

    Science.gov (United States)

    Kralewski, John E.; Zink, Therese; Boyle, Raymond

    2012-01-01

    Purpose: The purpose of this study was to identify the organizational factors that influence electronic health information exchange (HIE) by medical group practices in rural areas. Methods: A purposive sample of 8 small medical group practices in 3 experimental HIE regions were interviewed to determine the extent of clinical information exchange…

  19. Direct-Bandgap InAs Quantum-Dots Have Long-Range Electron--Hole Exchange Whereas Indirect Gap Si Dots Have Short-Range Exchange

    International Nuclear Information System (INIS)

    Juo, J.W.; Franceschetti, A.; Zunger, A.

    2009-01-01

    Excitons in quantum dots manifest a lower-energy spin-forbidden 'dark' state below a spin-allowed 'bright' state; this splitting originates from electron-hole (e-h) exchange interactions, which are strongly enhanced by quantum confinement. The e-h exchange interaction may have both a short-range and a long-range component. Calculating numerically the e-h exchange energies from atomistic pseudopotential wave functions, we show here that in direct-gap quantum dots (such as InAs) the e-h exchange interaction is dominated by the long-range component, whereas in indirect-gap quantum dots (such as Si) only the short-range component survives. As a result, the exciton dark/bright splitting scales as 1/R 2 in InAs dots and 1/R 3 in Si dots, where R is the quantum-dot radius.

  20. Exchange corrections to the bulk plasmon cross section of slow electrons in metals

    International Nuclear Information System (INIS)

    Yin, S.; Goodman, B.; Tosatti, E.

    1981-08-01

    We present a calculation of the simplest exchange correction to the low-energy electron cross section for plasmon creation in a free-electron-like metal with the density of Al. The resulting cancellation effect is found to be much too small to account for the anomalous delayed onset of plasmon losses, found in core level photo emission for Al. (author)

  1. Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes

    Science.gov (United States)

    Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki; Maitra, Neepa T.

    2017-12-01

    We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are completely missed by adiabatic approximations that, consequently, significantly underestimate the scattering probability. A recently proposed nonadiabatic approximation is shown to correctly capture the approach of the electron to the target when the initial Kohn-Sham state is chosen judiciously, and it is more accurate than standard adiabatic functionals but ultimately fails to accurately capture reflection. These results may explain the underestimation of scattering probabilities in some recent studies on molecules and surfaces.

  2. Magnetic behavior of Van Vleck ions and an electron gas interacting by exchange

    International Nuclear Information System (INIS)

    Palermo, L.; Silva, X.A. da.

    1980-01-01

    The magnetic behavior of a model in which Van Vleck ions, under the action of a crystal field, interacting by exchange with an electron gas is investigated. The condition of onset of ferromagnetism and the behavior of the critical temperature, band and ionic magnetizations (and susceptibilities) versus temperature, as a function of the band width, exchange interaction and the crystal field splitting energy parameters are obtained within an approximation equivalent to a molecular field formulation. (Author) [pt

  3. Investigation of electron exchange between neutral and ionized centers of germanium in PbSe

    International Nuclear Information System (INIS)

    Terukov, I.E.; Khuzhakulov, Eh.S.

    2005-01-01

    The 73 As( 73 Ge) emission Moessbauer spectroscopy is applied to study the electron exchange between neutral ionized states of the germanium donor center in PbSe. It is shown that the charge state of the antistructural 73 Ge defect, generating in the anion PbSe sublattice after 73 As radioactive decay, does not depend on the Fermi level location. In contrast to this, the 73 Ge center in the cation PbSe sublattice is the isoelectronic substitution impurity. The analysis of emission Moessbauer spectra of p-type PbSe: 73 As testifies about the presence of the fast electron exchange between neutral and ionized donor Ge centers in PbSe [ru

  4. Review of two-photon exchange in electron scattering

    Energy Technology Data Exchange (ETDEWEB)

    J. Arrington, P. G. Blunden, W. Melnitchouk

    2011-10-01

    We review the role of two-photon exchange (TPE) in electron-hadron scattering, focusing in particular on hadronic frameworks suitable for describing the low and moderate Q^2 region relevant to most experimental studies. We discuss the effects of TPE on the extraction of nucleon form factors and their role in the resolution of the proton electric to magnetic form factor ratio puzzle. The implications of TPE on various other observables, including neutron form factors, electroproduction of resonances and pions, and nuclear form factors, are summarized. Measurements seeking to directly identify TPE effects, such as through the angular dependence of polarization measurements, nonlinear epsilon contributions to the cross sections, and via e+p to e-p cross section ratios, are also outlined. In the weak sector, we describe the role of TPE and gamma-Z interference in parity-violating electron scattering, and assess their impact on the extraction of the strange form factors of the nucleon and the weak charge of the proton.

  5. Exchange enhancement of the electron g-factor in a two-dimensional semimetal in HgTe quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Bovkun, L. S., E-mail: bovkun@ipmras.ru; Krishtopenko, S. S.; Zholudev, M. S.; Ikonnikov, A. V.; Spirin, K. E. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation); Dvoretsky, S. A.; Mikhailov, N. N. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation); Teppe, F.; Knap, W. [Universite Montpellier II, Laboratoire Charles Coulomb (L2C), UMR CNRS 5221, GIS-TERALAB (France); Gavrilenko, V. I. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2015-12-15

    The exchange enhancement of the electron g-factor in perpendicular magnetic fields to 12 T in HgTe/CdHgTe quantum wells 20 nm wide with a semimetal band structure is studied. The electron effective mass and g-factor at the Fermi level are determined by analyzing the temperature dependence of the amplitude of Shubnikov–de Haas oscillation in weak fields and near odd Landau-level filling factors ν ≤ 9. The experimental values are compared with theoretical calculations performed in the one-electron approximation using the eight-band kp Hamiltonian. The found dependence of g-factor enhancement on the electron concentration is explained by changes in the contributions of hole- and electron-like states to exchange corrections to the Landau-level energies in the conduction band.

  6. Experimental (e, 2e) study of exchange interferences in the resonant Auger decay of Ar induced by electron impact

    International Nuclear Information System (INIS)

    Paripás, Béla; Palásthy, Béla; Žitnik, Matjaz

    2013-01-01

    Highlights: •The interference of autoionizing resonances with a common final ionic state is measured. •We have developed a method to experimentally verify for the exchange interference effect. •The sum of kinetic energies of the two detected electrons is kept constant. •Mainly the interference effects of [2p 3/2 ]4p and [2p 1/2 ]4p resonances in argon are studied. •The results possibly indicate small exchange interference effects. -- Abstract: Any two autoionizing resonances with a common final ionic state can be made to interfere by an appropriate selection of electron impact energy. To reveal the exchange interference effects a selective detection of electron pairs related to the selected final state is desired. We have performed a constant ionic state (e, 2e) experiment (CIS) isolating the final state by keeping the sum of transmission energies of two independent electron spectrometers constant. In the focus of this work are the exchange interference effects of 2p 3/2 −1 4p and 2p 1/2 −1 4p resonances in argon decaying to the 3p −2 ( 1 D)4p 2 P, 2 D final ionic state with energy E F = 37.3 ± 0.2 eV. We have developed a method to experimentally verify for the exchange interference effect. It is based on a comparison of the CIS spectrum recorded at the critical primary electron energy that activates the interferences, and the constructed, interference-free CIS spectrum that is build up from the CIS spectrum measured at primary electron energy away from the critical value. The results possibly indicate small exchange interference effects that may have been considerably smeared out at present experimental energy resolution

  7. Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

    KAUST Repository

    Schwingenschlögl, Udo

    2009-12-01

    Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.

  8. Sign of the electron exchange coupling in random radical encounter pairs in solution

    International Nuclear Information System (INIS)

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

    1985-01-01

    An important parameter in the study of reacting radical systems is the electron exchange interaction, J. The properties of interest are the sign and magnitude of J, and its functional dependence on distance between radicals. One source of information about J is from understanding the Chemically Induced Dynamic Electron Polarization (CIDEP) which is observed in the EPR spectra of reactive radical systems. For radicals reacting in solution to form new covalent bonds, it has generally been found that J O. It is suggested that F-pairs react at a separation greater than that at which spin correlated (geminate) pairs of the same radicals are formed, so that the intervening solvent molecules become involved in the exchange interaction giving rise to J>O via some sort of superexchange process. This is an interesting proposition since superexchange via solvent molecules may play a role in rates of long-distance electron transfer reactions and in the electron transfer reactions of photosynthesis. However, the model suggested runs contrary to all F-air radicals are produced. In order to clarify this important point, the authors present here a definitive study in which we examine several systems of radgenerated independently (exclusive F-pairs) by pulsed laser photolysis and pulsed radiolicals generatedysis in aqueous, alcoholic and hydrocarbon solvents

  9. Model-independent analysis of polarization effects in elastic electron-deuteron scattering in presence of two-photon exchange

    International Nuclear Information System (INIS)

    Gakh, G.I.; Tomasi-Gustafsson, E.

    2006-01-01

    The general spin structure of the matrix element, taking into account the 2-photon exchange contribution, for the elastic electron (positron) - deuteron scattering has been derived using general symmetry properties of the hadron electromagnetic interaction, such as P-, C- and T-invariances as well as lepton helicity conservation in QED at high energy. Taking into account also crossing symmetry, the amplitudes of e ± d scattering can be parametrized in terms of fifteen real functions. The expressions for the differential cross section and for all polarization observables are given in terms of these functions. We consider the case of an arbitrary polarized deuteron target and polarized electron beam (both longitudinal and transverse). The transverse polarization of the electron beam induces a single-spin asymmetry which is non-zero in presence of 2-photon exchange. It is shown that elastic deuteron electromagnetic form factors can still be extracted in presence of 2 photon exchange, from the measurements of the differential cross sections and of one polarization observable (for example, the tensor asymmetry) for electron and positron deuteron elastic scattering, in the same kinematical conditions. (authors)

  10. Electron-phonon heat exchange in quasi-two-dimensional nanolayers

    Science.gov (United States)

    Anghel, Dragos-Victor; Cojocaru, Sergiu

    2017-12-01

    We study the heat power P transferred between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes. The temperature range is typically below 1 K, such that the wavelengths of the excited phonon modes in the system is large enough so that the picture of a quasi-two-dimensional phonon gas is applicable. Moreover, due to the quantization of the components of the electron wavevectors perpendicular to the metal film's surface, the electrons spectrum forms also quasi two-dimensional sub-bands, as in a quantum well (QW). We describe in detail the contribution to the electron-phonon energy exchange of different electron scattering channels, as well as of different types of phonon modes. We find that heat flux oscillates strongly with thickness of the film d while having a much smoother variation with temperature (Te for the electrons temperature and Tph for the phonons temperature), so that one obtains a ridge-like landscape in the two coordinates, (d, Te) or (d, Tph), with crests and valleys aligned roughly parallel to the temperature axis. For the valley regions we find P ∝ Te3.5 - Tph3.5. From valley to crest, P increases by more than one order of magnitude and on the crests P cannot be represented by a simple power law. The strong dependence of P on d is indicative of the formation of the QW state and can be useful in controlling the heat transfer between electrons and crystal lattice in nano-electronic devices. Nevertheless, due to the small value of the Fermi wavelength in metals, the surface imperfections of the metallic films can reduce the magnitude of the oscillations of P vs. d, so this effect might be easier to observe experimentally in doped semiconductors.

  11. Animated Powerpoint Presentations for Teaching Operations and Supply Chain Management: Perceived Value and Electronic Exchange of Files

    Science.gov (United States)

    Treleven, Mark D.; Penlesky, Richard J.; Callarman, Thomas E.; Watts, Charles A.; Bragg, Daniel J.

    2012-01-01

    This paper presents the innovation of sharing animated PowerPoint presentations used in teaching operations and supply chain management techniques and concepts through an international electronic exchange. The plan for the exchange is presented and discussed. The potential benefits to faculty and students of using PowerPoint animations in…

  12. Electronic tools for health information exchange: an evidence-based analysis.

    Science.gov (United States)

    2013-01-01

    As patients experience transitions in care, there is a need to share information between care providers in an accurate and timely manner. With the push towards electronic medical records and other electronic tools (eTools) (and away from paper-based health records) for health information exchange, there remains uncertainty around the impact of eTools as a form of communication. To examine the impact of eTools for health information exchange in the context of care coordination for individuals with chronic disease in the community. A literature search was performed on April 26, 2012, using OVID MEDLINE, OVID MEDLINE In-Process and Other Non-Indexed Citations, OVID EMBASE, EBSCO Cumulative Index to Nursing & Allied Health Literature (CINAHL), the Wiley Cochrane Library, and the Centre for Reviews and Dissemination database, for studies published until April 26, 2012 (no start date limit was applied). A systematic literature search was conducted, and meta-analysis conducted where appropriate. Outcomes of interest fell into 4 categories: health services utilization, disease-specific clinical outcomes, process-of-care indicators, and measures of efficiency. The quality of the evidence was assessed individually for each outcome. Expert panels were assembled for stakeholder engagement and contextualization. Eleven articles were identified (4 randomized controlled trials and 7 observational studies). There was moderate quality evidence of a reduction in hospitalizations, hospital length of stay, and emergency department visits following the implementation of an electronically generated laboratory report with recommendations based on clinical guidelines. The evidence showed no difference in disease-specific outcomes; there was no evidence of a positive impact on process-of-care indicators or measures of efficiency. A limited body of research specifically examined eTools for health information exchange in the population and setting of interest. This evidence included a

  13. Electron capture rates in stars studied with heavy ion charge exchange reactions

    Science.gov (United States)

    Bertulani, C. A.

    2018-01-01

    Indirect methods using nucleus-nucleus reactions at high energies (here, high energies mean ~ 50 MeV/nucleon and higher) are now routinely used to extract information of interest for nuclear astrophysics. This is of extreme relevance as many of the nuclei involved in stellar evolution are short-lived. Therefore, indirect methods became the focus of recent studies carried out in major nuclear physics facilities. Among such methods, heavy ion charge exchange is thought to be a useful tool to infer Gamow-Teller matrix elements needed to describe electron capture rates in stars and also double beta-decay experiments. In this short review, I provide a theoretical guidance based on a simple reaction model for charge exchange reactions.

  14. Towards hot electron mediated charge exchange in hyperthermal energy ion-surface interactions

    DEFF Research Database (Denmark)

    Ray, M. P.; Lake, R. E.; Thomsen, Lasse Bjørchmar

    2010-01-01

    shows that the primary energy loss mechanism is the atomic displacement of Au atoms in the thin film of the metal–oxide–semiconductor device. We propose that neutral particle detection of the scattered flux from a biased device could be a route to hot electron mediated charge exchange.......We have made Na + and He + ions incident on the surface of solid state tunnel junctions and measured the energy loss due to atomic displacement and electronic excitations. Each tunnel junction consists of an ultrathin film metal–oxide–semiconductor device which can be biased to create a band of hot...

  15. NMR study of ligand exchange and electron self-exchange between oxo-centered trinuclear clusters [Fe3(μ3-O)(μ-O2CR)6(4-R'py)3](+/0).

    Science.gov (United States)

    Novitchi, Ghenadie; Helm, Lothar; Anson, Christopher; Powell, Annie K; Merbach, André E

    2011-10-17

    The syntheses, single crystal X-ray structures, and magnetic properties of the homometallic μ₃-oxo trinuclear clusters [Fe₃(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃](ClO₄) (1) and [Fe₃(μ₃-O)(μ-O₂CAd)₆(4-Mepy)₃](NO₃) (2) are reported (Ad = adamantane). The persistence of the trinuclear structure within 1 and 2 in CD₂Cl₂ and C₂D₂Cl₄ solutions in the temperature range 190-390 K is demonstrated by ¹H NMR. An equilibrium between the mixed pyridine clusters [Fe₃(μ₃-O)(μ-O₂CAd)₆(4-Mepy)(3-x)(4-Phpy)(x)](NO₃) (x = 0, 1, 2, 3) with a close to statistical distribution of these species is observed in CD₂Cl₂ solutions. Variable-temperature NMR line-broadening made it possible to quantify the coordinated/free 4-Rpy exchanges at the iron centers of 1 and 2: k(ex)²⁹⁸ = 6.5 ± 1.3 × 10⁻¹ s⁻¹, ΔH(‡) = 89.47 ± 2 kJ mol⁻¹, and ΔS(‡) = +51.8 ± 6 J K⁻¹ mol⁻¹ for 1 and k(ex)²⁹⁸ = 3.4 ± 0.5 × 10⁻¹ s⁻¹, ΔH(‡) = 91.13 ± 2 kJ mol⁻¹, and ΔS(‡) = +51.9 ± 5 J K⁻¹ mol⁻¹ for 2. A limiting D mechanism is assigned for these ligand exchange reactions on the basis of first-order rate laws and positive and large entropies of activation. The exchange rates are 4 orders of magnitude slower than those observed for the ligand exchange on the reduced heterovalent cluster [Fe(III)₂Fe(II)(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃] (3). In 3, the intramolecular Fe(III)/Fe(II) electron exchange is too fast to be observed. At low temperatures, the 1/3 intermolecular second-order electron self-exchange reaction is faster than the 4-Phpy ligand exchange reactions on these two clusters, suggesting an outer-sphere mechanism: k₂²⁹⁸ = 72.4 ± 1.0 × 103 M⁻¹ s⁻¹, ΔH(‡) = 18.18 ± 0.3 kJ mol⁻¹, and ΔS(‡) = -90.88 ± 1.0 J K⁻¹ mol⁻¹. The [Fe₃(μ₃-O)(μ-O₂CCH₃)₆(4-Phpy)₃](+/0) electron self-exchange reaction is compared with the more than 3 orders of magnitude faster [Ru

  16. Presolvated Electron Reaction with Methylacetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-atom Abstraction

    Science.gov (United States)

    Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D.

    2015-01-01

    Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methylacetoacetate (MAA, CH3-CO-CH2-CO-OCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-CO-OCH3) in the temperature range (77 to ca. 170 K) have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-CO-OCH3. The ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-CO-OCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylen protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-CO-OCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-CO-OCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments. PMID:25255751

  17. Electron exchange between neutral and ionized impurity iron centers in vitreous arsenic selenide

    Energy Technology Data Exchange (ETDEWEB)

    Marchenko, A. V. [Herzen State Pedagogical University of Russia (Russian Federation); Terukov, E. I. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Egorova, A. Yu. [St.-Petersburg Mining University (Russian Federation); Kiselev, V. S.; Seregin, P. P., E-mail: ppseregin@mail.ru [Herzen State Pedagogical University of Russia (Russian Federation)

    2017-04-15

    Impurity iron atoms in vitreous arsenic-selenide As{sub 2}Se{sub 3} films modified by iron form one-electron donor centers with an ionization energy of 0.24 (3) eV (the energy is counted from the conduction-band bottom). The Fermi level is shifted with an increase in the iron concentration from the mid-gap to the donorlevel position of iron due to the filling of one-electron states of the acceptor type lying below the Fermi level. At an iron concentration of ≥3 at %, the electron-exchange process is observed between neutral and ionized iron centers resulting in a change both in the electron density and in the tensor of the electric-field gradient at iron-atom nuclei with increasing temperature above 350 K.

  18. A spin exchange model for singlet fission

    Science.gov (United States)

    Yago, Tomoaki; Wakasa, Masanobu

    2018-03-01

    Singlet fission has been analyzed with the Dexter model in which electron exchange occurs between chromophores, conserving the spin for each electron. In the present study, we propose a spin exchange model for singlet fission. In the spin exchange model, spins are exchanged by the exchange interaction between two electrons. Our analysis with simple spin functions demonstrates that singlet fission is possible by spin exchange. A necessary condition for spin exchange is a variation in exchange interactions. We also adapt the spin exchange model to triplet fusion and triplet energy transfer, which often occur after singlet fission in organic solids.

  19. Behaviour of the electron density near an impurity with exchange and correlation

    International Nuclear Information System (INIS)

    Adawi, I.; Godwin, V.E.

    1982-09-01

    The behaviour of the electron density n(r) and potential energy V(r) near an impurity of charge Z is studied in the linear response theory of metals with exchange and correlation. The leading two terms in nsub(odd)(r) and the first three terms in Vsub(odd)(r) are the same as in the Lindhard theory, but corrections appear in the higher terms of the odd powers expansions of these functions. In all quantum linear response theories, the derivative n'(0)=-2Zn 0 /a 0 where n 0 is the free electron gas density and a 0 is the Bohr radius. (author)

  20. Presolvated Electron Reactions with Methyl Acetoacetate: Electron Localization, Proton-Deuteron Exchange, and H-Atom Abstraction

    Directory of Open Access Journals (Sweden)

    Alex Petrovici

    2014-09-01

    Full Text Available Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3 at 77 K and subsequent reactions of the anion radical (CH3-CO•−-CH2-COOCH3 in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•OH-CH2-COOCH3. The ESR spectrum of CH3-C(•OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K, CH3-C(•OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT support the radical assignments.

  1. Presolvated electron reactions with methyl acetoacetate: electron localization, proton-deuteron exchange, and H-atom abstraction.

    Science.gov (United States)

    Petrovici, Alex; Adhikary, Amitava; Kumar, Anil; Sevilla, Michael D

    2014-09-01

    Radiation-produced electrons initiate various reaction processes that are important to radiation damage to biomolecules. In this work, the site of attachment of the prehydrated electrons with methyl acetoacetate (MAA, CH3-CO-CH2-COOCH3) at 77 K and subsequent reactions of the anion radical (CH3-CO•--CH2-COOCH3) in the 77 to ca. 170 K temperature range have been investigated in homogeneous H2O and D2O aqueous glasses by electron spin resonance (ESR) spectroscopy. At 77 K, the prehydrated electron attaches to MAA forming the anion radical in which the electron is delocalized over the two carbonyl groups. This species readily protonates to produce the protonated electron adduct radical CH3-C(•)OH-CH2-COOCH3. The ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in H2O shows line components due to proton hyperfine couplings of the methyl and methylene groups. Whereas, the ESR spectrum of CH3-C(•)OH-CH2-COOCH3 in D2O glass shows only the line components due to proton hyperfine couplings of CH3 group. This is expected since the methylene protons in MAA are readily exchangeable in D2O. On stepwise annealing to higher temperatures (ca. 150 to 170 K), CH3-C(•)OH-CH2-COOCH3 undergoes bimolecular H-atom abstraction from MAA to form the more stable radical, CH3-CO-CH•-COOCH3. Theoretical calculations using density functional theory (DFT) support the radical assignments.

  2. Islamic electronic trading platform on organized exchange

    Directory of Open Access Journals (Sweden)

    Ahmet Suayb Gundogdu

    2016-12-01

    Full Text Available Today Islamic finance industry is under severe criticism, particularly, concerning liquidity management practices of treasury departments. Since cash lending is not possible under Islamic Shari'ah, Islamic banks tend to use securitized asset related schemes which are by no means neither acceptable under Islamic finance jurisprudence nor compliant with Maqasiq Al-Shari'ah. Maqasid Al-Shariah oversees economic activities which produce wealth and prosperity for all members of society to empower any member with certain level of belongings to bestow freedom while condemning inequality. Under this wider aim of Maqasid Al-Shari'ah, this paper presents alternative state-of-art Shari'ah compliant products, which is used in international trade finance, to be migrated to electronic trading platform under organized exchange in pursuit of replacing controversial liquidity management products. Besides, this paper introduces Islamic Commodity Future Contract, derived from asset backed Murabaha, with physical delivery as an alternative liquidity management tool for Islamic FIs and hedging tool for companies.

  3. The exchange of radiotherapy data as part of an electronic patient-referral system

    International Nuclear Information System (INIS)

    Lomax, Antony; Grossmann, Martin; Cozzi, Luca; Tercier, Pierre-Alain; Boehringer, Terence; Schneider, Uwe; Logean, Marianne; Volken, Werner; Ratib, Osman; Miralbell, Raymond

    2000-01-01

    Purpose: To describe the implementation and use of an electronic patient-referral system as an aid to the efficient referral of patients to a remote and specialized treatment center. Methods and Materials: A system for the exchange of radiotherapy data between different commercial planning systems and a specially developed planning system for proton therapy has been developed through the use of the PAPYRUS diagnostic image standard as an intermediate format. To ensure the cooperation of the different TPS manufacturers, the number of data sets defined for transfer has been restricted to the three core data sets of CT, VOIs, and three-dimensional dose distributions. As a complement to the exchange of data, network-wide application-sharing (video-conferencing) technologies have been adopted to provide methods for the interactive discussion and assessment of treatments plans with one or more partner clinics. Results: Through the use of evaluation plans based on the exchanged data, referring clinics can accurately assess the advantages offered by proton therapy on a patient-by-patient basis, while the practicality or otherwise of the proposed treatments can simultaneously be assessed by the proton therapy center. Such a system, along with the interactive capabilities provided by video-conferencing methods, has been found to be an efficient solution to the problem of patient assessment and selection at a specialized treatment center, and is a necessary first step toward the full electronic integration of such centers with their remotely situated referral centers

  4. Electronic bulletin board system for image and information exchange

    International Nuclear Information System (INIS)

    Halama, J.R.; Henkin, R.E.; Wagner, R.H.

    1990-01-01

    This paper provides nuclear medicine professionals access to an electronic bulletin board (EBB) for image and information exchange. EBB users access the system remotely via modem and personal computer. A public message board is maintained containing messages posted by users. New messages or replies to existing messages may be posted. A public library board contains documents and images for users to access by transmitting them locally for off-line review. Comments and replies may be posted in the library board. New files may be posted in the library at any time. The EBB programs were developed on a multi-user computer system, allowing simultaneous access of users and on-line conferencing among active users

  5. 78 FR 16471 - National Cybersecurity Center of Excellence (NCCoE) Secure Exchange of Electronic Health...

    Science.gov (United States)

    2013-03-15

    ...-02] National Cybersecurity Center of Excellence (NCCoE) Secure Exchange of Electronic Health...) National Cybersecurity Center of Excellence (NCCoE) invited organizations to provide products and technical.... companies to enter into ``National Cybersecurity Excellence Partnerships'' (NCEPs) in furtherance of the...

  6. Study of electron-molecule collisions via the finite-element method and R-matrix propagation technique: Model exchange

    International Nuclear Information System (INIS)

    Abdolsalami, F.; Abdolsalami, M.; Gomez, P.

    1994-01-01

    We have applied the finite-element method to electron-molecule collisions. All the calculations are done in the body frame within the fixed-nuclei approximation. A model potential, which is added to the static and polarization potential, has been used to represent the exchange effect. The method is applied to electron-H 2 scattering and the eigenphase sums and the cross sections obtained are in very good agreement with the corresponding results from the linear-algebraic approach. Finite-element calculations of the R matrix in the region where the static and exchange interactions are strong, however, has about one-half to one-fourth of the memory requirement of the linear-algebraic technique

  7. Heat Exchange Between Electrons and Phonons in Nanosystems at Sub-Kelvin Temperatures

    Directory of Open Access Journals (Sweden)

    Anghel Dragoş-Victor

    2018-01-01

    Full Text Available Ultra-sensitive nanoscopic detectors for electromagnetic radiation consist of thin metallic films deposited on dielectric membranes. The metallic films, of thickness d of the order of 10 nm, form the thermal sensing element (TSE, which absorbs the incident radiation and measures its power flux or the energies of individual photons. To achieve the sensitivity required for astronomical observations, the TSE works at temperatures of the order of 0.1 K. The dielectric membranes are used as support and for thermal insulation of the TSE and are of thickness L − d of the order of 100 nm (L being the total thickness of the system. In such conditions, the phonon gas in the detector assumes a quasi-two-dimensional distribution, whereas quantization of the electrons wavenumbers in the direction perpendicular to the film surfaces leads to the formation of quasi two-dimensional electronic sub-bands. The heat exchange between electrons and phonons has an important contribution to the performance of the device and is dominated by the interaction between the electrons and the antisymmetric acoustic phonons.

  8. Spin relaxation in quantum dots due to electron exchange with leads.

    Science.gov (United States)

    Vorontsov, A B; Vavilov, M G

    2008-11-28

    We calculate spin relaxation rates in lateral quantum dot systems due to electron exchange between dots and leads. Using rate equations, we develop a theoretical description of the experimentally observed electric current in the spin blockade regime of double quantum dots. A single expression fits the entire current profile and describes the structure of both the conduction peaks and the suppressed ("valley") region. Extrinsic rates calculated here have to be taken into account for accurate extraction of intrinsic relaxation rates due to the spin-orbit and hyperfine spin scattering mechanisms from spin blockade measurements.

  9. Exchange electron-hole interaction of two-dimensional magnetoexcitons under the influence of the Rashba spin-orbit coupling

    International Nuclear Information System (INIS)

    Moskalenko, S.A.; Podlesny, I.V.; Lelyakov, I.A.; Novikov, B.V.; Kiselyova, E.S.; Gherciu, L.

    2011-01-01

    The Rashba spin-orbit coupling (RSOC) in the case of two-dimensional (2D) electrons and holes in a strong perpendicular magnetic field was studied. The spinor-type wave functions are characterized by different numbers of Landau levels in different spin projections. For electrons they differ by 1 as was established earlier by Rashba, whereas for holes they differ by 3. Two lowest electron states and four lowest hole states of Landau quantization give rise to eight 2D magnetoexciton states. The exchange electron-hole interaction in the frame of these states is investigated.

  10. ELECTROMAGNETIC THERMAL INSTABILITY WITH MOMENTUM AND ENERGY EXCHANGE BETWEEN ELECTRONS AND IONS IN GALAXY CLUSTERS

    International Nuclear Information System (INIS)

    Nekrasov, Anatoly K.

    2011-01-01

    Thermal instability in an electron-ion magnetized plasma, which is relevant in the intragalactic medium of galaxy clusters, solar corona, and other two-component plasma objects, is investigated. We apply the multicomponent plasma approach where the dynamics of all species are considered separately through electric field perturbations. General expressions for the dynamical variables obtained in this paper can be applied over a wide range of astrophysical and laboratory plasmas also containing neutrals and dust grains. We assume that background temperatures of electrons and ions are different and include the energy exchange in thermal equations for electrons and ions along with the collisional momentum exchange in equations of motion. We take into account the dependence of collision frequency on density and temperature perturbations. The cooling-heating functions are taken for both electrons and ions. A condensation mode of thermal instability has been studied in the fast sound speed limit. We derive a new dispersion relation including different electron and ion cooling-heating functions and other effects mentioned above and find its simple solutions for growth rates in limiting cases. We show that the perturbations have an electromagnetic nature and demonstrate the crucial role of the electric field perturbation along the background magnetic field in the fast sound speed limit. We find that at the conditions under consideration, condensation must occur along the magnetic field while the transverse scale sizes can be both larger and smaller than the longitudinal ones. The results obtained can be useful for interpretating observations of dense cold regions in astrophysical objects.

  11. Initial Assessment of Electron and X-Ray Production and Charge Exchange in the NDCX-II Accelerator

    International Nuclear Information System (INIS)

    Cohen, R.H.

    2010-01-01

    The purpose of this note is to provide initial assessments of some atomic physics effects for the accelerator section of NDCX-II. There are several effects we address: the production of electrons associated with loss of beam ions to the walls, the production of electrons associated with ionization of background gas, the possibly resultant production of X-rays when these electrons hit bounding surfaces, and charge exchange of beam ions on background gas. The results presented here are based on a number of caveats that will be stated below, which we will attempt to remove in the near future.

  12. Study of electron-molecule collision via finite-element method and r-matrix propagation technique: Exact exchange

    International Nuclear Information System (INIS)

    Abdolsalami, F.; Abdolsalami, M.; Perez, L.; Gomez, P.

    1995-01-01

    The authors have applied the finite-element method to electron-molecule collision with the exchange effect implemented rigorously. All the calculations are done in the body-frame within the fixed-nuclei approximation, where the exact treatment of exchange as a nonlocal effect results in a set of coupled integro-differential equations. The method is applied to e-H 2 and e-N 2 scatterings and the cross sections obtained are in very good agreement with the corresponding results the authors have generated from the linear-algebraic approach. This confirms the significant difference observed between their results generated by linear-algebraic method and the previously published e-N 2 cross sections. Their studies show that the finite-element method is clearly superior to the linear-algebraic approach in both memory usage and CPU time especially for large systems such as e-N 2 . The system coefficient matrix obtained from the finite-element method is often sparse and smaller in size by a factor of 12 to 16, compared to the linear-algebraic technique. Moreover, the CPU time required to obtain stable results with the finite-element method is significantly smaller than the linear-algebraic approach for one incident electron energy. The usage of computer resources in the finite-element method can even be reduced much further when (1) scattering calculations involving multiple electron energies are performed in one computer run and (2) exchange, which is a short range effect, is approximated by a sparse matrix. 17 refs., 7 figs., 5 tabs

  13. Direct exchange between silicon nanocrystals and tunnel oxide traps under illumination on single electron photodetector

    Energy Technology Data Exchange (ETDEWEB)

    Chatbouri, S., E-mail: Samir.chatbouri@yahoo.com; Troudi, M.; Sghaier, N.; Kalboussi, A. [Avenue de I’environnement, Université de Monastir, Laboratoire de Micro électronique et Instrumentation (LR13ES12), Faculté des Sciences de Monastir (Tunisia); Aimez, V. [Université de Sherbrooke, Laboratoire Nanotechnologies et Nanosystémes (UMI-LN2 3463), Université de Sherbrooke—CNRS—INSA de Lyon-ECL-UJF-CPE Lyon, Institut Interdisciplinaire d’Innovation Technologique (Canada); Drouin, D. [Avenue de I’environnement, Université de Monastir, Laboratoire de Micro électronique et Instrumentation (LR13ES12), Faculté des Sciences de Monastir (Tunisia); Souifi, A. [Institut des Nanotechnologies de Lyon—site INSA de Lyon, UMR CNRS 5270 (France)

    2016-09-15

    In this paper we present the trapping of photogenerated charge carriers for 300 s resulted by their direct exchange under illumination between a few silicon nanocrystals (ncs-Si) embedded in an oxide tunnel layer (SiO{sub x} = 1.5) and the tunnel oxide traps levels for a single electron photodetector (photo-SET or nanopixel). At first place, the presence of a photocurrent limited in the inversion zone under illumination in the I–V curves confirms the creation of a pair electron/hole (e–h) at high energy. This photogenerated charge carriers can be trapped in the oxide. Using the capacitance-voltage under illumination (the photo-CV measurements) we show a hysteresis chargement limited in the inversion area, indicating that the photo-generated charge carriers are stored at traps levels at the interface and within ncs-Si. The direct exchange of the photogenerated charge carriers between the interface traps levels and the ncs-Si contributed on the photomemory effect for 300 s for our nanopixel at room temperature.

  14. 6-Electron exchange function as a simple estimator of aromaticity in large polyaromatic hydrocarbons

    Science.gov (United States)

    Mandado, Marcos; Mosquera, Ricardo A.

    2009-02-01

    The 6-electron exchange function (6-EEF) is defined and calculated for a series of large polyaromatic hydrocarbons (PAHs). It is shown that the 6-EEF, computed at selected points in space, is able to reproduce in PAHs the same relative values as the multicenter electron delocalization indices with an affordable computational cost and without using any definition of the atom in the molecule. Calculations for a series of D 6h PAHs ranging from C 6H 6 to C 216H 36 are performed. The results can be extrapolated to even larger PAHs and allow predicting the behaviour of a benzene ring in an infinite sheet of graphite.

  15. Electronic structure and exchange interactions in diluted semimagnetic semiconductors (Zn,Co)Se and (Zn,Mn)Se

    Science.gov (United States)

    Mašek, J.

    1991-05-01

    A comparative study of the electronic structure of (Zn,Co)Se and (Zn,Mn)Se is done by using a tight-binding version of the coherent potential approximation. The densities of states, relevant for a photoemission experiment, are calculated for a magnetically disordered phase. The exchange constant Jpd is obtained from the splitting of the valence band top in the ferromagnetic phase of the mixed crystal; Jdd is estimated from the energy of a spin reversal. We explain the large exchange constant in the Co-based systems as a result of efficient hybridization of the d-states with the valence band.

  16. Electronic structure tautomerism, and mechanism of H-D exchange in imidazole aqueous solutions

    International Nuclear Information System (INIS)

    Borisov, Yu.A.; Vorob'eva, N.P.; Abronin, I.A.; Kolomiets, A.F.

    1988-01-01

    The imidazole electronic structure in a gaseous phase is studied taking into account the influence of solvation effects in aqueous solutions. Possible mechanisms of tautomeric transformations and H-D exchange reactions with water molecules are discussed. Using the quantum chemistry methods, it is shown that the intramolecular mechanism of imidazole isomerization in the gaseous phase and the aqueous solution is unprofitable, and the intermolecular mechanism can proceed through the stage of protonated and carbene form formation

  17. Electronic Data Exchange within European Justice: A Good Opportunity?

    Directory of Open Access Journals (Sweden)

    Nadia Carboni

    2012-12-01

    Full Text Available This paper analyses one of the most debated and controversial issues regarding the changes which are taking place in the Justice domain: the complexity of developing and implementing ITC systems that ‘actually work’, and doing so with a reasonable budget and in a reasonable time. While the number of studies on National experiences is slowly growing (see for example Fabri & Contini 2001, Fabri 2007, Contini & Lanzara 2009, Reiling 2012, filling an often-mentioned gap in justice sector literature, building on the European project e-CODEX case study, the authors point the attention to a somewhat new and unexplored phenomenon, the concrete attempt to build cross-border electronic data exchange within the European justice field. e-CODEX (e-Justice Communication via Online Data Exchange is the first European Large Scale Pilot in the domain of e-Justice. The project is carried out by 19 partners either being or representing their national ministries of justice of 15 European countries, plus the Council of Bars and Law Societies of Europe (CCBE, the Conseil des Notariats de l'Union Européenne (CNUE and the National Research Council of Italy (through two of its institutes - IRSIG-CNR and ITTIG-CNR. To provide a better grasp of the project scale, its overall budget is over 14 M euro and about 14 hundred person-months are committed to it. The project aims at improving cross-border access of citizens and businesses to legal means in Europe, as well as to improve the interoperability between legal authorities of different Member States. With a case based approach, e-CODEX is developing and will be soon implementing an interoperability layer to connect existing National Systems in order to provide cross border e-justice services. The project commitment includes running a live pilot in a ‘production environment’ for a duration of twelve months. The electronic services that have been so far selected are: European Payment Order (EPO, European Small

  18. Exchange functional by a range-separated exchange hole

    International Nuclear Information System (INIS)

    Toyoda, Masayuki; Ozaki, Taisuke

    2011-01-01

    An approximation to the exchange-hole density is proposed for the evaluation of the exact exchange energy in electronic structure calculations within the density-functional theory and the Kohn-Sham scheme. Based on the localized nature of density matrix, the exchange hole is divided into the short-range (SR) and long-range (LR) parts by using an adequate filter function, where the LR part is deduced by matching of moments with the exactly calculated SR counterpart, ensuring the correct asymptotic -1/r behavior of the exchange potential. With this division, the time-consuming integration is truncated at a certain interaction range, largely reducing the computation cost. The total energies, exchange energies, exchange potentials, and eigenvalues of the highest-occupied orbitals are calculated for the noble-gas atoms. The close agreement of the results with the exact values suggests the validity of the approximation.

  19. Kinetics of hydrogen isotope exchange reactions

    International Nuclear Information System (INIS)

    Gold, V.; McAdam, M.E.

    1975-01-01

    Under the influence of tritium β-radiation, 1,4-dioxan undergoes hydrogen exchange with the solvent water. The inhibition of the reaction by known electron scavengers (Ag + , Cu 2+ , Ni 2+ , Co 2+ , Zn 2+ , H 3 + O) and also by species with high reactivity towards hydroxyl radicals but negligible reactivity towards solvated electrons (N 3 - , Br - , SCN - ) has been examined in detail. γ-irradiation similarly induces hydrogen exchange. The action of scavengers is interpreted as requiring the involvement of two separately scavengeable primary radiolysis products in the sequence of reactions leading to exchange. The presence of electron scavengers, even at high concentration, does not totally inhibit the exchange, and a secondary exchange route, involving a low vacancy state of inhibitor cations, is considered responsible for the 'unscavengeable' portion of the reaction, by providing an alternative exchange route. Analogies are drawn between the exchange reaction and other radiation-induced reactions that are thought to involve spur processes. Some implication of radiation-chemical studies in water-alcohol mixtures are indicated. (author)

  20. Spin- and valley-dependent electronic band structure and electronic heat capacity of ferromagnetic silicene in the presence of strain, exchange field and Rashba spin-orbit coupling

    Science.gov (United States)

    Hoi, Bui Dinh; Yarmohammadi, Mohsen; Kazzaz, Houshang Araghi

    2017-10-01

    We studied how the strain, induced exchange field and extrinsic Rashba spin-orbit coupling (RSOC) enhance the electronic band structure (EBS) and electronic heat capacity (EHC) of ferromagnetic silicene in presence of external electric field (EF) by using the Kane-Mele Hamiltonian, Dirac cone approximation and the Green's function approach. Particular attention is paid to investigate the EHC of spin-up and spin-down bands at Dirac K and K‧ points. We have varied the EF, strain, exchange field and RSOC to tune the energy of inter-band transitions and consequently EHC, leading to very promising features for future applications. Evaluation of EF exhibits three phases: Topological insulator (TI), valley-spin polarized metal (VSPM) and band insulator (BI) at given aforementioned parameters. As a new finding, we have found a quantum anomalous Hall phase in BI regime at strong RSOCs. Interestingly, the effective mass of carriers changes with strain, resulting in EHC behaviors. Here, exchange field has the same behavior with EF. Finally, we have confirmed the reported and expected symmetry results for both Dirac points and spins with the study of valley-dependent EHC.

  1. Cation-exchanger fabric prepared by electron beam - induced graft copolymerization of binary monomer mixture

    International Nuclear Information System (INIS)

    Bondar, Yu.V.; Kim, H.J.; Lim, Y.J.; Perelygin, V.P.

    2004-01-01

    Applying the electron-beam preirradiation method in air the sorption-active polypropylene fiber, containing sulfonic acid (R-SO 3 H) groups, was prepared by simultaneous graft copolymerization of sodium styrenesulfonate with acrylic acid in water solution. The effect of reaction conditions on the grafting yield and reaction mechanism was examined. It was found that the received CEF contains groups of strong acid (R-SO 3 H) and weak acid (R-COOH) in almost equal proportion. The ion-exchange properties of the CEF towards Cu(II) and Co(II) ions were investigated depending on the form of the CEF and a pH of the solution. It was shown that the utilization of the CEF in Na- form allows to make the best use of its ion-exchange capacity. (author)

  2. Performance and cost characteristics of multi-electron transfer, common ion exchange non-aqueous redox flow batteries

    Science.gov (United States)

    Laramie, Sydney M.; Milshtein, Jarrod D.; Breault, Tanya M.; Brushett, Fikile R.; Thompson, Levi T.

    2016-09-01

    Non-aqueous redox flow batteries (NAqRFBs) have recently received considerable attention as promising high energy density, low cost grid-level energy storage technologies. Despite these attractive features, NAqRFBs are still at an early stage of development and innovative design techniques are necessary to improve performance and decrease costs. In this work, we investigate multi-electron transfer, common ion exchange NAqRFBs. Common ion systems decrease the supporting electrolyte requirement, which subsequently improves active material solubility and decreases electrolyte cost. Voltammetric and electrolytic techniques are used to study the electrochemical performance and chemical compatibility of model redox active materials, iron (II) tris(2,2‧-bipyridine) tetrafluoroborate (Fe(bpy)3(BF4)2) and ferrocenylmethyl dimethyl ethyl ammonium tetrafluoroborate (Fc1N112-BF4). These results help disentangle complex cycling behavior observed in flow cell experiments. Further, a simple techno-economic model demonstrates the cost benefits of employing common ion exchange NAqRFBs, afforded by decreasing the salt and solvent contributions to total chemical cost. This study highlights two new concepts, common ion exchange and multi-electron transfer, for NAqRFBs through a demonstration flow cell employing model active species. In addition, the compatibility analysis developed for asymmetric chemistries can apply to other promising species, including organics, metal coordination complexes (MCCs) and mixed MCC/organic systems, enabling the design of low cost NAqRFBs.

  3. Marketing of green electrons. Solar-power stock exchanges

    International Nuclear Information System (INIS)

    Nussbaumer-Waelti, E.

    1999-01-01

    An independent power producer evaluates the current solar-power stock exchanges in Switzerland. Most stock exchanges have been created by electric utilities which want to deliver 'green' power to those of their clients asking for. A first group of solar-power stock exchanges offer to take over the produced solar power at a marginal price. Among them, some organise a competition between the potential solar-power producers, in order to press down the investment cost for the new photovoltaic plants to build. Other stock exchanges propose a periodical adaptation of the prices, especially an adaptation to the capital interest rate. For sure, the total length of the time period for which the contract is established is one of the decisive factors. Because no bank is ready to grant a credit for such an investment without having seen a long-running take-over contract for the produced power [de

  4. Ferromagnetic transition and double exchange of electrons in the Ru1-xCrxCaO3 compounds

    Directory of Open Access Journals (Sweden)

    H Hadipour

    2009-08-01

    Full Text Available   We have investigated the electronic structure of Ru1-xCrxCaO3 using the full potential linearized augmented plane wave method within the local spin density approximation. We have obtained the spin magnetic moment centered at Ru sites from LSDA calculation. The Ru magnetic moment is consistent with the experimental estimates and is lower than the t32g↑t12g↓ electronic configuration. Cr decreases the extension of the 4d orbitals and increases the exchange coupling between electrons which may increase the magnetic moment further. Parameters of the electron-electron interaction for the RuMO3 and CrMO3 with M=Ca have been estimated by the standard LSDA-constraint technique. These calculations show that both the DOS and effective Coulomb interaction increase with the increase of Cr content.

  5. Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

    KAUST Repository

    Fonari, Alexandr

    2014-10-21

    We evaluate the impact that the amount of nonlocal Hartree-Fock (%HF) exchange included in a hybrid density functional has on the microscopic parameters (transfer integrals, band gaps, bandwidths, and effective masses) describing charge transport in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases and the effective masses increase linearly with an increase in the amount of %HF exchange. In contrast, in the charge-transfer crystals, while the band gap increases linearly, the effective masses vary only slightly with an increase in %HF exchange. We show that the superexchange nature of the electronic couplings in charge-transfer systems is responsible for this peculiar evolution of the effective masses. We compare the density functional theory results with results obtained within the G0W0 approximation as a way of benchmarking the optimal amount of %HF exchange needed in a given functional.

  6. Terahertz Plasma Waves in Two Dimensional Quantum Electron Gas with Electron Scattering

    International Nuclear Information System (INIS)

    Zhang Liping

    2015-01-01

    We investigate the Terahertz (THz) plasma waves in a two-dimensional (2D) electron gas in a nanometer field effect transistor (FET) with quantum effects, the electron scattering, the thermal motion of electrons and electron exchange-correlation. We find that, while the electron scattering, the wave number along y direction and the electron exchange-correlation suppress the radiation power, but the thermal motion of electrons and the quantum effects can amplify the radiation power. The radiation frequency decreases with electron exchange-correlation contributions, but increases with quantum effects, the wave number along y direction and thermal motion of electrons. It is worth mentioning that the electron scattering has scarce influence on the radiation frequency. These properties could be of great help to the realization of practical THz plasma oscillations in nanometer FET. (paper)

  7. Study of the Bonham series representation of the Born--Oppenheimer exchange amplitude and the derivation of a local exchange potential

    International Nuclear Information System (INIS)

    Huo, W.M.

    1977-01-01

    The convergence and range of applicability of the Bonham series representation of the Born--Oppenheimer exchange amplitude is investigated. Numerical calculations on 1 1 S→2 3 S and 1 1 S→2 3 P of He by electron impact demonstrate that the first three terms of the Bonham series can provide an adequate representation of the Born--Oppenheimer amplitude from high energies down to near threshold. The three-term Bonham series is then used to represent the Hartree--Fock exchange kernel in momentum space, which has been shown by Lassettre to be proportional to the Born--Oppenheimer amplitude. Inverse Fourier transform, plus an additional approximation of replacing the momentum which appears as an expansion parameter in the Bonham series by its averge value, gives us a local exchange potential. If the averge momentum in the Thomas--Fermi model is used, the first term of the local exchange potential is just the electron gas exchange potential. A second term corresponding to a correction for the inhomogeneity in the electron gas density, is also obtained. No adjustable parameter is involved. Exchange energies of He, Be, and Ne calculated using the local exchange potential agree much better with the Hartree--Fock results than the electron gas model

  8. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-05-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

  9. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data.

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-05-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. Graphical Abstract ᅟ.

  10. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-03-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

  11. Electron beam irradiation on cation exchanger used for strontium recovery

    International Nuclear Information System (INIS)

    Watanabe, Sou; Nakamura, Masahiro; Nomura, Kazunori; Nakajima, Yasuo; Okamoto, Yoshihiro

    2014-01-01

    Titanate is promising material for radioactive Sr recovery from liquid waste generated in the nuclear facilities. "9"0Sr is one of the most important nuclides in order to release the liquid waste into the environment due to its strong beta-ray decay energy. Although the titanate is applied to radioactive Sr decontamination facility, their resistance to irradiations from radioactive elements adsorbed is not widely investigated so far. In this study, durability of a hydrous titanic acid ion exchanger against beta-ray irradiation were evaluated through electron beam irradiation, elution behaviour of Sr after the irradiation and local structural analysis of the titanate. 1.4 MGy irradiation led to 1% of Sr elution, and the elution could be attributed to defects of O in the titanate induced by the irradiation. Chemical state of Ti of the titanate must be stable up to 2.7 MGy irradiation. (author)

  12. Ionization, charge exchange, and secondary electron emission in the extractor of an LBL/LLL neutral beam source

    International Nuclear Information System (INIS)

    Fink, J.H.; McDowell, C.E.

    1975-01-01

    Using a computer code, bombardment of the electrodes resulting from ionization, charge-exchange, and back-ion emission from the neutralizer cell is studied in the positive-ion extractor region of a Lawrence Berkeley Laboratory/Lawrence Livermore Laboratory (LBL/LLL) neutral beam source. Ion and electron trajectories are presented, grid dissipations estimated, and proposals made for future designs

  13. Perturbation theory with respect to intercenter electron exchange and superexchange with degeneracy

    International Nuclear Information System (INIS)

    Orlenko, E.V.; Rumyantsev, A.A.

    1990-01-01

    The corrections to the energy and wave functions of a multielectron system of interacting atoms are calculated in a general analytic form by taking into account degeneracy of the states in accordance with the Young schemes. The rule for writing down the perturbation operator in such systems is formulated in the case when the ground and excited state vectors are antisymmetrized with respect to interchange of electrons between the centers. A secular equation of the theory is derived by applying perturbation theory, one of the parameters of which is the degree of overlap of the wave functions. Some concrete examples of interatomic interactions of an unpaired nature which are due to exchange and superexchange effects are considered

  14. Tunable Subpicosecond Electron-Bunch-Train Generation Using a Transverse-To-Longitudinal Phase-Space Exchange Technique

    International Nuclear Information System (INIS)

    Sun, Y.-E; Piot, P.; Maxwell, T. J.; Johnson, A.; Lumpkin, A. H.; Ruan, J.; Thurman-Keup, R.

    2010-01-01

    We report on the experimental generation of a train of subpicosecond electron bunches. The bunch train generation is accomplished using a beam line capable of exchanging the coordinates between the horizontal and longitudinal degrees of freedom. An initial beam consisting of a set of horizontally separated beamlets is converted into a train of bunches temporally separated with tunable bunch duration and separation. The experiment reported in this Letter unambiguously demonstrates the conversion process and its versatility.

  15. Electron exchange between tin impurity U{sup –} centers in PbS{sub z}Se{sub 1–z} alloys

    Energy Technology Data Exchange (ETDEWEB)

    Marchenko, A. V. [Alexander Herzen State Pedagogical University of Russia (Russian Federation); Terukov, E. I. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Seregin, P. P., E-mail: ppseregin@mail.ru; Rasnjuk, A. N.; Kiselev, V. S. [Alexander Herzen State Pedagogical University of Russia (Russian Federation)

    2016-07-15

    Using emission {sup 119mm}Sn({sup 119m}Sn) and {sup 119}Sb({sup 119m}Sn) Mössbauer spectroscopy, it is shown that impurity tin atoms in PbS{sub z}Se{sub 1–z} alloys substitute lead atoms and are two-electron donors with negative correlation energy (U{sup –} centers). It is found that the energy levels related to impurity tin atoms are in the lower half of the band gap at z ≥ 0.5 against the background of allowed valence-band states at z ≤ 0.4. The electron exchange between neutral and doubly ionized tin U{sup –} centers in partially compensated Pb{sub 0.99}Sn{sub 0.005}Na{sub 0.005}S{sub z}Se{sub 1–z} alloys is studied. The activation energy of this process decreases from 0.111(5) eV for a composition with z = 1 to 0.049(5) eV for compositions with c ≤ 0. For all z, the exchange is implemented via the simultaneous transfer of two electrons using delocalized valence-band states.

  16. Investigation of solvent dynamic effects on the electron self-exchange in two thianthrene couples with large inner reorganization energies.

    Science.gov (United States)

    Choto, P; Rasmussen, K; Grampp, G

    2015-02-07

    The large structural difference between thianthrene radical cations and their neutral parent molecules can possibly affect their electron self-exchange reactions. Before this can be investigated experimentally, it is necessary to first understand the influence of the solvent on such electron transfer reactions. To achieve this, the rate constants of the electron self-exchange reactions of the Th˙(+)/Th and MTh˙(+)/MTh (Th = thianthrene, MTh = 2,3,7,8-tetramethoxythianthrene) couples were investigated by means of ESR line broadening experiments in different solvents at 293 K. The diffusion corrected rate constants cover a range of 7.2 × 10(8)≤ket≤ 44 × 10(8) M(-1) s(-1) for Th˙(+)/Th and 2.0 × 10(8)≤ket≤ 11.6 × 10(8) M(-1) s(-1) for MTh˙(+)/MTh, respectively. The results were analysed within the framework of the Marcus Theory and the characteristic reorganization energy, λ, was determined. Both couples clearly show a solvent dynamic effect controlled by the longitudinal relaxation time τL of the solvents. However, the influence of the structural changes, in terms of λ, was smaller than expected at room temperature.

  17. Implementation of a cloud-based electronic medical record exchange system in compliance with the integrating healthcare enterprise's cross-enterprise document sharing integration profile.

    Science.gov (United States)

    Wu, Chien Hua; Chiu, Ruey Kei; Yeh, Hong Mo; Wang, Da Wei

    2017-11-01

    In 2011, the Ministry of Health and Welfare of Taiwan established the National Electronic Medical Record Exchange Center (EEC) to permit the sharing of medical resources among hospitals. This system can presently exchange electronic medical records (EMRs) among hospitals, in the form of medical imaging reports, laboratory test reports, discharge summaries, outpatient records, and outpatient medication records. Hospitals can send or retrieve EMRs over the virtual private network by connecting to the EEC through a gateway. International standards should be adopted in the EEC to allow users with those standards to take advantage of this exchange service. In this study, a cloud-based EMR-exchange prototyping system was implemented on the basis of the Integrating the Healthcare Enterprise's Cross-Enterprise Document Sharing integration profile and the existing EMR exchange system. RESTful services were used to implement the proposed prototyping system on the Microsoft Azure cloud-computing platform. Four scenarios were created in Microsoft Azure to determine the feasibility and effectiveness of the proposed system. The experimental results demonstrated that the proposed system successfully completed EMR exchange under the four scenarios created in Microsoft Azure. Additional experiments were conducted to compare the efficiency of the EMR-exchanging mechanisms of the proposed system with those of the existing EEC system. The experimental results suggest that the proposed RESTful service approach is superior to the Simple Object Access Protocol method currently implemented in the EEC system, according to the irrespective response times under the four experimental scenarios. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clays. Role in U and Hg(II) transformations

    Energy Technology Data Exchange (ETDEWEB)

    Scherer, Michelle [Univ. of Iowa, Iowa City, IA (United States)

    2016-08-31

    During this project, we investigated Fe electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clay minerals. We used selective chemical extractions, enriched Fe isotope tracer experiments, computational molecular modeling, and Mössbauer spectroscopy. Our findings indicate that structural Fe(III) in clay minerals is reduced by aqueous Fe(II) and that electron transfer occurs when Fe(II) is sorbed to either basal planes and edge OH-groups of clay mineral. Findings from highly enriched isotope experiments suggest that up to 30 % of the Fe atoms in the structure of some clay minerals exhanges with aqueous Fe(II). First principles calculations using a small polaron hopping approach suggest surprisingly fast electron mobility at room temperature in a nontronite clay mineral and are consistent with temperature dependent Mössbauer data Fast electron mobility suggests that electrons may be able to conduct through the mineral fast enough to enable exchange of Fe between the aqueous phase and clay mineral structure. over the time periods we observed. Our findings suggest that Fe in clay minerals is not as stable as previously thought.

  19. Electron self-exchange in azurin

    DEFF Research Database (Denmark)

    Mikkelsen, K V; Skov, L K; Nar, H

    1993-01-01

    Electronic coupling between the copper atoms in an azurin dimer has been calculated in this conformationally well-defined system by using many-electronic wave functions. When one of the two water molecules forming intermolecular hydrogen bonds between the copper-ligating His-117 of the two azurin...

  20. Development of novel ion-exchange membranes for electrodialysis of seawater by electron-beam-induced graft polymerization (4). Polymeric structures of cation-exchange membranes based on nylon-6 film

    International Nuclear Information System (INIS)

    Miyazawa, Tadashi; Asari, Yuki; Miyoshi, Kazuyoshi; Umeno, Daisuke; Saito, Kyoichi; Nagatani, Takeshi; Yoshikawa, Naohito; Motokawa, Ryuhei; Koizumi, Satoshi

    2010-01-01

    Cation-exchange membranes containing a sulfonic acid group were prepared by electron-beam-induced graft polymerization of sodium styrene sulfonate (SSS) onto a nylon-6 film with a thickness of 25 μm. The lamella sizes and lamella-to-lamella intervals of the resultant cation-exchange membranes (SSS membranes) were evaluated by X-ray diffraction (XRD) analysis and small-angle neutron scattering (SANS), respectively. With increasing degrees of grafting, the lamella size decreased, whereas the lamella-to-lamella interval increased. This can be explained by that the poly-SSS chain grafted to the periphery of the lamella of nylon 6 partially destroys the lamella and invades the amorphous domain among the lamella. The SSS membrane with a degree of grafting of 150% exhibited a similar performance in the electrodialysis of 0.5 M sodium chloride as a current cation-exchange membrane and possessed the lamella sizes and lamella-to-lamella intervals of 7.6 and 13 nm, respectively. (author)

  1. Inclusion of exact exchange in the noniterative partial-differential-equation method of electron-molecule scattering - Application to e-N2

    Science.gov (United States)

    Weatherford, C. A.; Onda, K.; Temkin, A.

    1985-01-01

    The noniterative partial-differential-equation (PDE) approach to electron-molecule scattering of Onda and Temkin (1983) is modified to account for the effects of exchange explicitly. The exchange equation is reduced to a set of inhomogeneous equations containing no integral terms and solved noniteratively in a difference form; a method for propagating the solution to large values of r is described; the changes in the polarization potential of the original PDE method required by the inclusion of exact static exchange are indicated; and the results of computations for e-N2 scattering in the fixed-nuclei approximation are presented in tables and graphs and compared with previous calculations and experimental data. Better agreement is obtained using the modified PDE method.

  2. CLAIM (CLinical Accounting InforMation)--an XML-based data exchange standard for connecting electronic medical record systems to patient accounting systems.

    Science.gov (United States)

    Guo, Jinqiu; Takada, Akira; Tanaka, Koji; Sato, Junzo; Suzuki, Muneou; Takahashi, Kiwamu; Daimon, Hiroyuki; Suzuki, Toshiaki; Nakashima, Yusei; Araki, Kenji; Yoshihara, Hiroyuki

    2005-08-01

    With the evolving and diverse electronic medical record (EMR) systems, there appears to be an ever greater need to link EMR systems and patient accounting systems with a standardized data exchange format. To this end, the CLinical Accounting InforMation (CLAIM) data exchange standard was developed. CLAIM is subordinate to the Medical Markup Language (MML) standard, which allows the exchange of medical data among different medical institutions. CLAIM uses eXtensible Markup Language (XML) as a meta-language. The current version, 2.1, inherited the basic structure of MML 2.x and contains two modules including information related to registration, appointment, procedure and charging. CLAIM 2.1 was implemented successfully in Japan in 2001. Consequently, it was confirmed that CLAIM could be used as an effective data exchange format between EMR systems and patient accounting systems.

  3. Atomistic Tight-Binding Theory of Electron-Hole Exchange Interaction in Morphological Evolution of CdSe/ZnS Core/Shell Nanodisk to CdSe/ZnS Core/Shell Nanorod

    Directory of Open Access Journals (Sweden)

    Worasak Sukkabot

    2016-01-01

    Full Text Available Based on the atomistic tight-binding theory (TB and a configuration interaction (CI description, the electron-hole exchange interaction in the morphological transformation of CdSe/ZnS core/shell nanodisk to CdSe/ZnS core/shell nanorod is described with the aim of understanding the impact of the structural shapes on the change of the electron-hole exchange interaction. Normally, the ground hole states confined in typical CdSe/ZnS core/shell nanocrystals are of heavy hole-like character. However, the atomistic tight-binding theory shows that a transition of the ground hole states from heavy hole-like to light hole-like contribution with the increasing aspect ratios of the CdSe/ZnS core/shell nanostructures is recognized. According to the change in the ground-state hole characters, the electron-hole exchange interaction is also significantly altered. To do so, optical band gaps, ground-state electron character, ground-state hole character, oscillation strengths, ground-state coulomb energies, ground-state exchange energies, and dark-bright (DB excitonic splitting (stoke shift are numerically demonstrated. These atomistic computations obviously show the sensitivity with the aspect ratios. Finally, the alteration in the hole character has a prominent effect on dark-bright (DB excitonic splitting.

  4. Transverse-to-longitudinal Emittance-exchange with an Energy Chirped Beam

    Energy Technology Data Exchange (ETDEWEB)

    Thangaraj, J.; Ruan, J.; Johnson, A.S.; Thurman-Keup, R.; Lumpkin, A.H.; Santucci, J.; Sun, Y.-E; Maxwell, T.; Edwards, H.; /Fermilab

    2012-05-01

    Emittance exchange has been proposed to increase the performance of free electron lasers by tailoring the phase space of an electron beam. The principle of emittance exchange - where the transverse phase space of the electron beam is exchanged with the longitudinal phase space - has been demonstrated recently at the A0 photoinjector. The experiment used a low charge bunch (250 pC) with no energy chirp. Theory predicts an improvement in the emittance exchange scheme when the incoming beam has an energy chirp imparted on it. The energy chirp helps to overcome the thick lens effect of the deflecting mode cavity and other second order effects that might lead to an incomplete emittance exchange at higher charges. In this work, we report experimental and simulation results from operating the emittance exchange beam line using an energy chirped beam with higher charge (500 pC) at different RF-chirp settings.

  5. Electronic structure, magnetism, and exchange integrals in transition-metal oxides: Role of the spin polarization of the functional in DFT+U calculations

    Science.gov (United States)

    Keshavarz, Samara; Schött, Johan; Millis, Andrew J.; Kvashnin, Yaroslav O.

    2018-05-01

    Density functional theory augmented with Hubbard-U corrections (DFT+U ) is currently one of the most widely used methods for first-principles electronic structure modeling of insulating transition-metal oxides (TMOs). Since U is relatively large compared to bandwidths, the magnetic excitations in TMOs are expected to be well described by a Heisenberg model. However, in practice the calculated exchange parameters Ji j depend on the magnetic configuration from which they are extracted and on the functional used to compute them. In this work we investigate how the spin polarization dependence of the underlying exchange-correlation functional influences the calculated magnetic exchange constants of TMOs. We perform a systematic study of the predictions of calculations based on the local density approximation plus U (LDA+U ) and the local spin density approximation plus U (LSDA+U ) for the electronic structures, total energies, and magnetic exchange interactions Ji j extracted from ferromagnetic (FM) and antiferromagnetic (AFM) configurations of several transition-metal oxide materials. We report that for realistic choices of Hubbard U and Hund's J parameters, LSDA+U and LDA+U calculations result in different values of the magnetic exchange constants and band gap. The dependence of the band gap on the magnetic configuration is stronger in LDA+U than in LSDA+U and we argue that this is the main reason why the configuration dependence of Ji j is found to be systematically more pronounced in LDA+U than in LSDA+U calculations. We report a very good correspondence between the computed total energies and the parametrized Heisenberg model for LDA+U calculations, but not for LSDA+U , suggesting that LDA+U is a more appropriate method for estimating exchange interactions.

  6. Physicians' acceptance of electronic medical records exchange: an extension of the decomposed TPB model with institutional trust and perceived risk.

    Science.gov (United States)

    Hsieh, Pi-Jung

    2015-01-01

    Electronic medical records (EMRs) exchange improves clinical quality and reduces medical costs. However, few studies address the antecedent factors of physicians' intentions to use EMR exchange. Based on institutional trust and perceived risk integrated with the decomposed theory of planned behavior (TPB) model, we propose a theoretical model to explain the intention of physicians to use an EMR exchange system. We conducted a field survey in Taiwan to collect data from physicians who had experience using the EMR exchange systems. A valid sample of 191 responses was collected for data analysis. To test the proposed research model, we employed structural equation modeling using the partial least squares method. The study findings show that the following five factors have a significant influence on the physicians' intentions to use EMR exchange systems: (a) attitude; (b) subjective norm; (c) perceived behavior control; (d) institutional trust; and (e) perceived risk. These five factors are predictable by perceived usefulness, perceived ease of use, and compatibility, interpersonal and governmental influence, facilitating conditions and self-efficacy, situational normality and structural assurance, and institutional trust, respectively. The results also indicate that institutional trust and perceived risk integrated with the decomposed TPB model improve the prediction of physician's intentions to use EMR exchange. The results of this study indicate that our research model effectively predicts the intention of physicians to use EMR exchange, and provides valuable implications for academics and practitioners. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  7. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    KAUST Repository

    Bisetti, Fabrizio; El Morsli, Mbark

    2014-01-01

    The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which

  8. Exact exchange-correlation potential and approximate exchange potential in terms of density matrices

    International Nuclear Information System (INIS)

    Holas, A.; March, N.H.

    1995-01-01

    An exact expression in terms of density matrices (DM) is derived for δF[n]/δn(r), the functional derivative of the Hohenberg-Kohn functional. The derivation starts from the differential form of the virial theorem, obtained here for an electron system with arbitrary interactions, and leads to an expression taking the form of an integral over a path that can be chosen arbitrarily. After applying this approach to the equivalent system of noninteracting electrons (Slater-Kohn-Sham scheme) and combining the corresponding result with the previous one, an exact expression for the exchange-correlation potential v xc (r) is obtained which is analogous in character to that for δF[n]/δn(r), but involving, besides the interacting-system DMs, also the noninteracitng DMs. Equating the former DMs to the latter ones, we reduce the result for the exact v xc (r) to that for an approximate exchange-only potential v x (r). This leads naturally to the Harbola-Sahni exchange-only potential

  9. Novel Approaches to Spectral Properties of Correlated Electron Materials: From Generalized Kohn-Sham Theory to Screened Exchange Dynamical Mean Field Theory

    Science.gov (United States)

    Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke

    2018-04-01

    The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.

  10. RKKY coupling in the gadolinium with shielded exchange interaction

    International Nuclear Information System (INIS)

    Aveline, A.

    1973-01-01

    The model of magnetic interation by indirect exchange mechanism (RKKY) is studied. The shielding effect is estimated and exchange integral J(K vector, K' vector) and magnetic interaction energy Jmn(r) analysis is made. The magnetic interaction energy is determinated in two approximations and compared to the Ruderman-Kittel formula. The free electrons model, to conduction electrons, and 4f wave functions, to localized electrons were utilized [pt

  11. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    KAUST Repository

    Bisetti, Fabrizio

    2014-01-02

    The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which results in high-energy, non-thermal electrons, is analysed in detail at sub-breakdown conditions. The rates of inelastic collisions and the energy exchange between electrons and neutrals in the reaction zone of the flame are characterised quantitatively. The analysis includes attachment, ionisation, impact dissociation, and vibrational and electronic excitation processes. Our results suggest that Townsend breakdown occurs for E/N = 140 Td. Vibrational excitation is the dominant process up to breakdown, despite important rates of electronic excitation of CO, CO2 and N2 as well as impact dissociation of O2 being apparent from 50 Td onwards. Ohmic heating in the reaction zone is found to be negligible (less than 2% of peak heat release rate) up to breakdown field strengths for realistic electron densities equal to 1010 cm-3. The observed trends are largely independent of equivalence ratio. In the non-thermal regime, electron transport coefficients are insensitive to mixture composition and approximately constant across the flame, but are highly dependent on the electric field strength. In the thermal limit, kinetic parameters and transport coefficients vary substantially across the flame due to the spatially inhomogeneous concentration of water vapour. A practical approach for identifying the plasma regime (thermal versus non-thermal) in studies of electric field effects on flames is proposed. © 2014 Taylor & Francis.

  12. Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+-Ru3+ Self-Exchange Electron Transfer.

    Science.gov (United States)

    Zeng, Xiancheng; Hu, Xiangqian; Yang, Weitao

    2012-12-11

    A fragment-based fractional number of electron (FNE) approach, is developed to study entire electron transfer (ET) processes from the electron donor region to the acceptor region in condensed phase. Both regions are described by the density-fragment interaction (DFI) method while FNE as an efficient ET order parameter is applied to simulate the electron transfer process. In association with the QM/MM energy expression, the DFI-FNE method is demonstrated to describe ET processes robustly with the Ru 2+ -Ru 3+ self-exchange ET as a proof-of-concept example. This method allows for systematic calculations of redox free energies, reorganization energies, and electronic couplings, and the absolute ET rate constants within the Marcus regime.

  13. Theoretical Treatment of Degenerate Electron Exchange and Dimerization in Spin Dynamics of Radical Ion Pairs as Observed by Magnetic Field Effects

    NARCIS (Netherlands)

    Ivanov, K.L.; Stass, D.V.; Kalneus, E.V.; Kaptein, R.; Lukzen, N.K.

    2013-01-01

    In this work we have compared manifestations of degenerate electron exchange (DEE) and dimerization reactions in MARY (magnetically affected reaction yield) spectroscopy and time-resolved magnetic field effects (TR-MFE) of radical ion pairs (RIPs). It is shown that dimerization results in phase and

  14. Elliptically polarized electromagnetic waves in a magnetized quantum electron-positron plasma with effects of exchange-correlation

    Energy Technology Data Exchange (ETDEWEB)

    Shahmansouri, M., E-mail: mshmansouri@gmail.com [Department of Physics, Faculty of Science, Arak University, Arak 38156-8 8349 (Iran, Islamic Republic of); Misra, A. P., E-mail: apmisra@visva-bharati.ac.in, E-mail: apmisra@gmail.com [Department of Mathematics, Siksha Bhavana, Visva-Bharati University, Santiniketan 731 235, West Bengal (India)

    2016-07-15

    The dispersion properties of elliptically polarized electromagnetic waves in a magnetized electron-positron-pair (EP-pair) plasma are studied with the effects of particle dispersion associated with the Bohm potential, the Fermi degenerate pressure, and the exchange-correlation force. Two possible modes of the extraordinary or X wave, modified by these quantum effects, are identified and their propagation characteristics are investigated numerically. It is shown that the upper-hybrid frequency and the cutoff and resonance frequencies are no longer constants but are dispersive due to these quantum effects. It is found that the particle dispersion and the exchange-correlation force can have different dominating roles on each other depending on whether the X waves are of short or long wavelengths (in comparison with the Fermi Debye length). The present investigation should be useful for understanding the collective behaviors of EP plasma oscillations and the propagation of extraordinary waves in magnetized dense EP-pair plasmas.

  15. Optimization of porous microchannel heat exchanger

    Science.gov (United States)

    Kozhukhov, N. N.; Konovalov, D. A.

    2017-11-01

    The technical progress in information and communication sphere leads to a sharp increase in the use of radio electronic devices. Functioning of radio electronics is accompanied by release of thermal energy, which must be diverted from the heat-stressed element. Moreover, using of electronics at negative temperatures, on the contrary, requires supply of a certain amount of heat to start the system. There arises the task of creating a system that allows both to supply and to divert the necessary amount of thermal energy. The development of complex thermostabilization systems for radio electronic equipment is due to increasing the efficiency of each of its elements separately. For more efficient operation of a heat exchanger, which directly affects the temperature of the heat-stressed element, it is necessary to calculate the mode characteristics and to take into account the effect of its design parameters. The results of optimizing the microchannel heat exchanger are presented in the article. The target optimization functions are the mass, pressure drop and temperature. The parameters of optimization are the layout of porous fins, their geometric dimensions and coolant flow. For the given conditions, the optimum variant of porous microchannel heat exchanger is selected.

  16. Corrosion study of heat exchanger tubes in pressurized water cooled nuclear reactors by conversion electron Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Homonnay, Z.; Kuzmann, E.; Varga, K.; Nemeth, Z.; Szabo, A.; Rado, K.; Schunk, J.; Tilky, P.; Patek, G.

    2005-01-01

    Nuclear energy production tends to return into the focus of interest because of the constantly increasing energy need of the world and the green house effect problems of the strongest competitor oil or gas based power plants. In addition to the construction of new nuclear power plants, lifetime extension of the existing ones is the most cost effective investment in the energy business. However, feasibility and safety issues become very important at this point, and corrosion of the construction materials should be carefully investigated before decision on a potential lifetime extension of a reactor. 57 Fe-Conversion Electron Moessbauer Spectroscopy (CEMS) is a sensitive tool to analyze the phase composition of corrosion products on the surface of stainless steel. The upper ∼300 nm can be investigated due to the penetration range of conversion electrons. The corrosion state of heat exchanger tubes from the four reactor units of the Paks Nuclear Power Plant, Hungary, were analyzed by several methods including CEMS. The primary circuit side of the tubes was studied on selected samples cut out from the heat exchangers during regular maintenance. Cr- and Ni-substituted magnetite, sometimes hematite, amorphous Fe-oxides/oxyhydroxides as well as the signal of bulk austenitic steel of the tubes were detected. The level of Cr- and Ni-substitution in the magnetite phase could be estimated from the Moessbauer spectra. Correlation between earlier decontamination cycles and the corrosion state of the heat exchangers was sought. In combination with other methods, a hybrid structure of the surface oxide layer of several microns was established. It is suggested that previous AP-CITROX decontamination cycles can be responsible for this structure which makes the oxide layer mobile. This mobility may be responsible for unwanted corrosion product transport into the reactor vessel by the primary coolant.

  17. Orbital angular momentum exchange in post-collision interaction

    International Nuclear Information System (INIS)

    van der Burgt, P.J.M.; van Eck, J.; Heideman, H.G.M.

    1985-01-01

    The authors study the exchange of orbital angular mementum between the scattered and the ejected electron. The angular distribution of electrons ejected by the He (2s 2 ) 2 S autoionizing state after its excitation via the He (2s2p 2 ) 2 D resonance is measured. Taking into accout interference with electrons from the direct ionization of helium, the authors are able to show that the measured anisotropic angular distribution is the result of an orbital angular momentum exchange during the post-collision interaction

  18. Monte Carlo study of the double and super-exchange model with lattice distortion

    Energy Technology Data Exchange (ETDEWEB)

    Suarez, J R; Vallejo, E; Navarro, O [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Mexico D. F. (Mexico); Avignon, M, E-mail: jrsuarez@iim.unam.m [Institut Neel, Centre National de la Recherche Scientifique (CNRS) and Universite Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France)

    2009-05-01

    In this work a magneto-elastic phase transition was obtained in a linear chain due to the interplay between magnetism and lattice distortion in a double and super-exchange model. It is considered a linear chain consisting of localized classical spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins tend to align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by anti-ferromagnetic super-exchange interactions between neighbor localized spins. Additionally, lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. Phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.

  19. Investing in Post-Acute Care Transitions: Electronic Information Exchange Between Hospitals and Long-Term Care Facilities.

    Science.gov (United States)

    Cross, Dori A; Adler-Milstein, Julia

    2017-01-01

    Electronic health information exchange (HIE) is expected to help improve care transitions from hospitals to long-term care (LTC) facilities. We know little about the prevalence of hospital LTC HIE in the United States and what contextual factors may motivate or constrain this activity. Cross-sectional analysis of U.S. acute-care hospitals responding to the 2014 AHA IT Supplement survey and with available readmissions data (n = 1,991). We conducted multivariate logistic regression to explore the relationship between hospital LTC HIE and selected IT and policy characteristics. Over half of the hospitals in our study (57.2%) reported engaging in some form of HIE with LTC providers: 33.9% send-only, 0.5% receive-only, and 22.8% send and receive. Hospitals that engaged in some form of LTC HIE were more likely than those that did not engage to have attested to meaningful use (odds ratio [OR], 1.87; P = .01 for stage 1 and OR, 2.05; P investing in electronic information exchange with LTCs as part of a general strategy to adopt EHRs and engage in HIE, but also potentially to strengthen ties to LTC providers and to reduce readmissions. To achieve widespread connectivity, continued focus on adoption of related health IT infrastructure and greater emphasis on aligning incentives for hospital-LTC care transitions would be valuable. Copyright © 2016 AMDA – The Society for Post-Acute and Long-Term Care Medicine. Published by Elsevier Inc. All rights reserved.

  20. On the necessity of taking into account the contribution of multiphoton exchanges into electron-proton deep inelastic scattering

    International Nuclear Information System (INIS)

    Savrin, V.I.

    1979-01-01

    The hypothesis that the multiphoton exchanges give a substantial contribution to the electron-proton inclusive scattering is formulated. The hypothesis explains the observed violation of the Bjorken scaling law. As it is shown, the mechanism of such intensification of multiple exchanges may by connected with the properties of the processes of hadron multiproduction in the deep inelastic field. This results in the necessity to calculate the inclusive cross section in all electromagnetic coupling constant orders. This has been done in the framework of the density matrix method. As a result the deep inelastic scattering cross section calculated without application of the perturbation theory reveals a new property of the scaling invariance and leads to the natural relationship of structural functions with electromagnetic proton form-factors on the exclusive threshold

  1. Probing the Gaseous Structure of a β-Hairpin Peptide with H/D Exchange and Electron Capture Dissociation.

    Science.gov (United States)

    Straus, Rita N; Jockusch, Rebecca A

    2017-02-01

    An improved understanding of the extent to which native protein structure is retained upon transfer to the gas phase promises to enhance biological mass spectrometry, potentially streamlining workflows and providing fundamental insights into hydration effects. Here, we investigate the gaseous conformation of a model β-hairpin peptide using gas-phase hydrogen-deuterium (H/D) exchange with subsequent electron capture dissociation (ECD). Global gas-phase H/D exchange levels, and residue-specific exchange levels derived from ECD data, are compared among the wild type 16-residue peptide GB1p and several variants. High protection from H/D exchange observed for GB1p, but not for a truncated version, is consistent with the retention of secondary structure of GB1p in the gas phase or its refolding into some other compact structure. Four alanine mutants that destabilize the hairpin in solution show levels of protection similar to that of GB1p, suggesting collapse or (re)folding of these peptides upon transfer to the gas phase. These results offer a starting point from which to understand how a key secondary structural element, the β-hairpin, is affected by transfer to the gas phase. This work also demonstrates the utility of a much-needed addition to the tool set that is currently available for the investigation of the gaseous conformation of biomolecules, which can be employed in the future to better characterize gaseous proteins and protein complexes. Graphical Abstract ᅟ.

  2. Double and super-exchange model in one-dimensional systems

    International Nuclear Information System (INIS)

    Vallejo, E.; Navarro, O.; Avignon, M.

    2010-01-01

    We present an analytical and numerical study of the competition between double and super-exchange interactions in a one-dimensional model. For low super-exchange interaction energy we find phase separation between ferromagnetic and anti-ferromagnetic phases. When the super-exchange interaction energy gets larger, the conduction electrons are self-trapped within separate small magnetic polarons. These magnetic polarons contain a single electron inside two or three sites depending on the conduction electron density and form a Wigner crystallization. A new phase separation is found between these small polarons and the anti-ferromagnetic phase. Spin-glass behavior is obtained consistent with experimental results of the nickelate one-dimensional compound Y 2-x Ca x BaNiO 5 .

  3. Determination of Minimum Data Set (MSD) in Echocardiography Reporting System to Exchange with Iran's Electronic Health Record (EHR) System.

    Science.gov (United States)

    Mahmoudvand, Zahra; Kamkar, Mehran; Shahmoradi, Leila; Nejad, Ahmadreza Farzaneh

    2016-04-01

    Determination of minimum data set (MDS) in echocardiography reports is necessary for documentation and putting information in a standard way, and leads to the enhancement of electrocardiographic studies through having access to precise and perfect reports and also to the development of a standard database for electrocardiographic reports. to determine the minimum data set of echocardiography reporting system to exchange with Iran's electronic health record (EHR) system. First, a list of minimum data set was prepared after reviewing texts and studying cardiac patients' records. Then, to determine the content validity of the prepared MDS, the expert views of 10 cardiologists and 10 health information management (HIM) specialists were obtained; to estimate the reliability of the set, test-retest method was employed. Finally, the data were analyzed using SPSS software. The highest degree of consensus was found for the following MDSs: patient's name and family name (5), accepting doctor's name and family name, familial death records due to cardiac disorders, the image identification code, mitral valve, aortic valve, tricuspid valve, pulmonary valve, left ventricle, hole, atrium valve, Doppler examination of ventricular and atrial movement models and diagnoses with an average of. To prepare a model of echocardiography reporting system to exchange with EHR system, creation a standard data set is the vital point. Therefore, based on the research findings, the minimum reporting system data to exchange with Iran's electronic health record system include information on entity, management, medical record, carried-out acts, and the main content of the echocardiography report, which the planners of reporting system should consider.

  4. Exchange Reactions. Proceedings of the Symposium on Exchange Reactions

    International Nuclear Information System (INIS)

    1965-01-01

    The mechanisms and kinetics of chemical reactions are of great interest to chemists. The study of exchange reactions in particular helps to shed light on the dynamics of chemical change, providing an insight into the structures and the reactivities of the chemical species involved. The main theme of this meeting was the subject of oxidation-reduction reactions in which the net result is the transfer of one or more electrons between the different oxidation states of the same element. Other studies reported included the transfer of protons, atoms, complex ligands or organic radicals between molecules. Heterogeneous exchange, which is of importance in many cases of catalytic action, was also considered. For a long time isotopic tracers have formed the most convenient means of studying exchange reactions and today a considerable amount of work continues to be done with their aid. Consequently, several papers presented at this Symposium reported on work carried out by purely radiochemical tracer methods. In recognition, however, of the important role which nuclear magnetic resonance and electron spin resonance play in this field, in particular in the study of fast reactions, a number of reports on investigations in which these techniques had been used was included in the programme. By kind invitation of the United States Government the Symposium on Exchange Reactions was held from 31 May to 4 June at the Brookhaven National Laboratory, Upton, Long Island, N.Y., USA. It was attended by 46 participants from nine countries and one inter-governmental organization. The publication of these Proceedings makes the contents of the papers and the discussion available to a wider audience

  5. Probing two-photon exchange with OLYMPUS

    International Nuclear Information System (INIS)

    Kohl, M.

    2014-01-01

    Two-photon exchange is believed to be responsible for the discrepancies in the proton electric to magnetic form factor ratio found with the Rosenbluth and polarization transfer methods. If this explanation is correct, one expects significant differences in the lepton-proton cross sections between positrons and electrons. The OLYMPUS experiment at DESY in Hamburg, Germany was designed to measure the ratio of unpolarized positron-proton and electron-proton elastic scattering cross sections over a wide kinematic range with high precision, in order to quantify the effect of two-photon exchange. The experiment used intense beams of electrons and positrons stored in the DORIS ring at 2.0 GeV interacting with an internal windowless hydrogen gas target. The current status of OLYMPUS will be discussed. (authors)

  6. I. Exchange currents in electron scattering from light nuclei. II. Heavy-ion scattering at intermediate and high energy

    International Nuclear Information System (INIS)

    Dubach, J.F.

    1976-01-01

    The purpose of this work is to develop a formalism that will allow one to search the wide variety of transitions presented by nuclei in order to locate situations in which the exchange-current effects are important or dominant and thus allow one to study the contributions of the meson exchanges to the electromagnetic densities within the nucleus. The nuclei studied are assumed to be described in a shell model using harmonic oscillator wave functions. The formalism needed to allow one to do a multipole analysis of these exchange currents within 1s and 1p nuclei is developed. This formalism is then applied to an examination of electron scattering from a series of light nuclei: 3 He, 6 Li, 7 Li, 9 Be, and 10 B. Three significant effects due to the inclusion of exchange currents are seen: (1) The exchange currents can often introduce new structure into the form factors. (2) At larger momentum transfer (700 to 1000 MeV/c) the exchange current contributions to the form factor dominate the simpler one-body form factor by a few orders of magnitude. (3) The exchange currents can excite E4 and M5 multipoles in the p shell which are forbidden to the simpler one-body currents. The elastic scattering of two heavy ions at intermediate and high energies (compared to the Coulomb barrier) is examined in the formalism of the WKB and ''Glauber theory'' approximations. As a concrete example, the scattering of 16 O from 60 Ni is studied assuming an optical-model potential that fits elastic scattering data at low energies. One immediate result is that the WKB approximation agrees quite well with ''exact'' numerical calculations at energies as low as 60 MeV. The Glauber theory fails below about 1 GeV but correction terms are developed that can extend the usefulness of the Glauber theory to much lower energies. The model problem of scattering from a black-sphere model of the nucleus is briefly examined

  7. Next Generation Microchannel Heat Exchangers

    CERN Document Server

    Ohadi, Michael; Dessiatoun, Serguei; Cetegen, Edvin

    2013-01-01

    In Next Generation Microchannel Heat Exchangers, the authors’ focus on the new generation highly efficient heat exchangers and presentation of novel data and technical expertise not available in the open literature.  Next generation micro channels offer record high heat transfer coefficients with pressure drops much less than conventional micro channel heat exchangers. These inherent features promise fast penetration into many mew markets, including high heat flux cooling of electronics, waste heat recovery and energy efficiency enhancement applications, alternative energy systems, as well as applications in mass exchangers and chemical reactor systems. The combination of up to the minute research findings and technical know-how make this book very timely as the search for high performance heat and mass exchangers that can cut costs in materials consumption intensifies.

  8. Mulliken-Hush elucidation of the encounter (precursor) complex in intermolecular electron transfer via self-exchange of tetracyanoethylene anion-radical

    International Nuclear Information System (INIS)

    Rosokha, S.V.; Newton, M.D.; Head-Gordon, M.; Kochi, J.K.

    2006-01-01

    The paramagnetic [1:1] encounter complex (TCNE) 2 -dot is established as the important precursor in the kinetics and mechanism of electron-transfer for the self-exchange between tetracyanoethylene acceptor (TCNE) and its radical-anion as the donor. Spectroscopic observation of the dimeric complex (TCNE) 2 -dot by its intervalence absorption band at the solvent-dependent wavelength of λ IV ∼1500nm facilitates the application of Mulliken-Hush theory which reveals the significant electronic interaction extant between the pair of cofacial TCNE moieties with the sizable coupling of H DA =1000cm -1 . The transient existence of such an encounter complex provides the critical link in the electron-transfer kinetics by lowering the classical Marcus reorganization barrier by the amount of H DA in this strongly adiabatic system. Ab initio quantum-mechanical methods as applied to independent theoretical computations of both the reorganization energy (λ) and the electronic coupling element (H DA ) confirm the essential correctness of the Mulliken-Hush formalism for fast electron transfer via strongly coupled donor/acceptor encounter complexes

  9. Parameters of an indirect exchange in gadolinium and iron compounds

    International Nuclear Information System (INIS)

    Kupriyanov, A.K.; Nikitin, S.A.

    1981-01-01

    On the basis of the theory of an indirect exchange and experimental values of hyperfine fields, Curie point and electric resistance, the constants of sd and sf exchange are determined as well as the effective carrier mass for the Gdsub(x)Ysub(1-x)Fesub(3) type compounds. It is shown that the agreement with experiment can be improved on assumption that exchange interactions in the given compounds are realized not only through conductivity electrons but also through collectivized d-type electrons [ru

  10. OXYGEN 18 EXCHANGE REACTIONS OF ALDEHYDES AND KETONES

    Energy Technology Data Exchange (ETDEWEB)

    Byrn, Marianne; Calvin, Melvin

    1965-12-01

    Using infra-red spectroscopy, the equilibrium exchange times have been determined for a series of ketones, aromatic aldehydes, and {beta}-ketoesters reacting with oxygen 18 enriched water. These exchange times have been evaluated in terms of steric and electronic considerations, and applied to a discussion of the exchange times of chlorophylls a and b and chlorophyll derivatives.

  11. Charge exchange processes of high energy heavy ions channeled in crystals

    International Nuclear Information System (INIS)

    Andriamonje, S.; Dural, J.; Toulemonde, M.; Groeneveld, K.O.; Maier, R.; Quere, Y.

    1990-01-01

    The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. The experiments show that high energy heavy ion channeling deeply modifies the slowing down and charge exchange processes. In this review, we describe the opportunity offered by channeling conditions to study the charge exchange processes. Some aspects of the charge exchange processes with high energy channeled heavy ions are selected from the extensive literature published over the past few years on this subject. Special attention is given to the work performed at the GANIL facility on the study of Radiative Electron Capture (REG), Electron Impact Ionisation (EII), and convoy electron emission. Finally we emphasize the interest of studying resonant charge exchange processes such as Resonant Coherent Excitation (RCE), Resonant Transfer and Excitation (RTE) or Dielectronic Recombination (DR) and the recently proposed Nuclear Excitation by Electron Capture (NEEC)

  12. Jeans instability with exchange effects in quantum dusty magnetoplasmas

    International Nuclear Information System (INIS)

    Jamil, M.; Rasheed, A.; Rozina, Ch.; Jung, Y.-D.; Salimullah, M.

    2015-01-01

    Jeans instability is examined in magnetized quantum dusty plasmas using the quantum hydrodynamic model. The quantum effects are considered via exchange-correlation potential, recoil effect, and Fermi degenerate pressure, in addition to thermal effects of plasma species. It is found that the electron exchange and correlation potential have significant effects over the threshold value of wave vector and Jeans instability. The presence of electron exchange and correlation effect shortens the time of dust sound that comparatively stabilizes the self gravitational collapse. The results at quantum scale are helpful in understanding the collapse of the self-gravitating dusty plasma systems

  13. Local density approximations for relativistic exchange energies

    International Nuclear Information System (INIS)

    MacDonald, A.H.

    1986-01-01

    The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

  14. On exact and approximate exchange-energy densities

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1999-01-01

    Based on correspondence rules between quantum-mechanical operators and classical functions in phase space we construct exchange-energy densities in position space. Whereas these are not unique but depend on the chosen correspondence rule, the exchange potential is unique. We calculate this exchange......-energy density for 15 closed-shell atoms, and compare it with kinetic- and Coulomb-energy densities. It is found that it has a dominating local-density character, but electron-shell effects are recognizable. The approximate exchange-energy functionals that have been proposed so far are found to account only...

  15. VLER Health Exchange by Area

    Data.gov (United States)

    Department of Veterans Affairs — “Connect Your Docs” through the Virtual Lifetime Electronic Record (VLER) Health Exchange program. This program gives VA and community health care providers secure...

  16. Accuracy of local exchange in the calculation of continuum wavefunctions

    International Nuclear Information System (INIS)

    Biava, D A; Bartschat, K; Saha, H P; Madison, D H

    2002-01-01

    It is well known that electron exchange can play an important role in electron-impact elastic, inelastic and ionization scattering from atoms and molecules. The proper theoretical treatment of exchange yields an inhomogeneous differential equation with a non-local exchange operator. To simplify the calculation, a local approximation is often made for this non-local operator. In this paper, we examine the accuracy of this approximation for the calculation of elastic scattering continuum waves in the presence of an argon ion with a single vacancy in the p-shell. It is found that one can reliably use the local exchange approximation for ionization leading to s-state vacancies but not p-state vacancies

  17. Attitudes toward inter-hospital electronic patient record exchange: discrepancies among physicians, medical record staff, and patients.

    Science.gov (United States)

    Wang, Jong-Yi; Ho, Hsiao-Yun; Chen, Jen-De; Chai, Sinkuo; Tai, Chih-Jaan; Chen, Yung-Fu

    2015-07-12

    In this era of ubiquitous information, patient record exchange among hospitals still has technological and individual barriers including resistance to information sharing. Most research on user attitudes has been limited to one type of user or aspect. Because few analyses of attitudes toward electronic patient records (EPRs) have been conducted, understanding the attitudes among different users in multiple aspects is crucial to user acceptance. This proof-of-concept study investigated the attitudes of users toward the inter-hospital EPR exchange system implemented nationwide and focused on discrepant behavioral intentions among three user groups. The system was designed by combining a Health Level 7-based protocol, object-relational mapping, and other medical informatics techniques to ensure interoperability in realizing patient-centered practices. After implementation, three user-specific questionnaires for physicians, medical record staff, and patients were administered, with a 70 % response rate. The instrument showed favorable convergent construct validity and internal consistency reliability. Two dependent variables were applied: the attitudes toward privacy and support. Independent variables comprised personal characteristics, work characteristics, human aspects, and technology aspects. Major statistical methods included exploratory factor analysis and general linear model. The results from 379 respondents indicated that the patients highly agreed with privacy protection by their consent and support for EPRs, whereas the physicians remained conservative toward both. Medical record staff was ranked in the middle among the three groups. The three user groups demonstrated discrepant intentions toward privacy protection and support. Experience of computer use, level of concerns, usefulness of functions, and specifically, reason to use electronic medical records and number of outpatient visits were significantly associated with the perceptions. Overall, four

  18. Invariant exchange perturbation theory for multicenter systems: Time-dependent perturbations

    International Nuclear Information System (INIS)

    Orlenko, E. V.; Evstafev, A. V.; Orlenko, F. E.

    2015-01-01

    A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithium atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated

  19. Electronic properties of CdWO{sub 4}: Use of hybrid exchange and correlation functionals

    Energy Technology Data Exchange (ETDEWEB)

    Meena, B. S., E-mail: bsmphysics@gmail.com; Mund, H. S.; Ahuja, B. L. [Department of Physics, University College of Science, M. L. Sukhadia University, Udaipur-313001 (India); Heda, N. L. [Department of Pure and Applied Physics, University of Kota, Kota-324010 (India)

    2016-05-23

    Energy bands, density of states (DOS), Mulliken population (MP) and electron momentum densities (EMDs) of CdWO{sub 4} are presented using hybrid exchange and correlation functionals namely B3LYP, B3PW and PBE0. To validate the present hybrid potentials, theoretical EMDs have been compared with the experimental Compton profile. It is found that LCAO-B3LYP based Compton profile gives a better agreement with experiment than other theoretical profiles. The energy bands and DOS show a wide band gap semiconducting nature of CdWO{sub 4}. The theoretical band gap obtained using B3LYP scheme reconciles well with the available experimental data. In addition, we have also presented the anisotropies in EMDs along [100], [110] and [001] directions and the bonding effects using the MP data.

  20. Chemical uranium enrichment with ion exchanger

    International Nuclear Information System (INIS)

    Takeda, Kunihiko; Onitsuka, Hatsuki; Obanawa, Heiichiro

    1991-01-01

    The uranium enrichment by using ion-exchange has been studied and developed since 1972. The ion-exchange rate has been improved approx. 3000 times and the electron exchange reaction, which occurs with ion-exchange reaction, was also accelerated with catalyst. Flow disturbance in a ion-exchange column has been fully studied and the value of turbulence has been reduced to 150μm. These results allowed us to design a very fine separation column, in which about 10000 stages can be obtained even when the column is more than 1 m in diameter. In the course of the development, a self-regenerating reaction between the redox agents was discovered and incorporated into the process, and has resulted in a reduction of 70 % in the separation energy requirement. (author)

  1. Determination of Minimum Data Set (MSD) in Echocardiography Reporting System to Exchange with Iran’s Electronic Health Record (EHR) System

    Science.gov (United States)

    Mahmoudvand, Zahra; Kamkar, Mehran; Shahmoradi, Leila; Nejad, Ahmadreza Farzaneh

    2016-01-01

    Background: Determination of minimum data set (MDS) in echocardiography reports is necessary for documentation and putting information in a standard way, and leads to the enhancement of electrocardiographic studies through having access to precise and perfect reports and also to the development of a standard database for electrocardiographic reports. Aim: to determine the minimum data set of echocardiography reporting system to exchange with Iran’s electronic health record (EHR) system. Methods: First, a list of minimum data set was prepared after reviewing texts and studying cardiac patients’ records. Then, to determine the content validity of the prepared MDS, the expert views of 10 cardiologists and 10 health information management (HIM) specialists were obtained; to estimate the reliability of the set, test-retest method was employed. Finally, the data were analyzed using SPSS software. Results: The highest degree of consensus was found for the following MDSs: patient’s name and family name (5), accepting doctor’s name and family name, familial death records due to cardiac disorders, the image identification code, mitral valve, aortic valve, tricuspid valve, pulmonary valve, left ventricle, hole, atrium valve, Doppler examination of ventricular and atrial movement models and diagnoses with an average of. Conclusions: To prepare a model of echocardiography reporting system to exchange with EHR system, creation a standard data set is the vital point. Therefore, based on the research findings, the minimum reporting system data to exchange with Iran’s electronic health record system include information on entity, management, medical record, carried-out acts, and the main content of the echocardiography report, which the planners of reporting system should consider. PMID:27147803

  2. Spin and orbital exchange interactions from Dynamical Mean Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Secchi, A., E-mail: a.secchi@science.ru.nl [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands); Lichtenstein, A.I., E-mail: alichten@physnet.uni-hamburg.de [Universitat Hamburg, Institut für Theoretische Physik, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I., E-mail: m.katsnelson@science.ru.nl [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands)

    2016-02-15

    We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping between the initial electronic system and a spin model including up to quadratic interactions between the effective spins, with a general interaction (exchange) tensor that accounts for anisotropic exchange, Dzyaloshinskii–Moriya interaction and other symmetric terms such as dipole–dipole interaction. We present the formulas in a format that can be used for computations via Dynamical Mean Field Theory algorithms. - Highlights: • We give formulas for the exchange interaction tensor in strongly correlated systems. • Interactions are written in terms of electronic Green's functions and self-energies. • The method is suitable for a Dynamical Mean Field Theory implementation. • No quenching of the orbital magnetic moments is assumed. • Spin and orbital contributions to magnetism can be computed separately.

  3. Role of electron-electron interactions in the RKKY theory of magnetism

    International Nuclear Information System (INIS)

    Cooke, J.F.

    1978-10-01

    The theory of magnetism in heavy rare earth metals is based on the RKKY theory. In this formalism the indirect exchange interaction between the local 4f spins is mediated by the conduction electrons. When carried to second order in the 4f-conduction electron interaction, traditional perturbation theory leads to a Heisenberg-like interaction between the local spins which depends on the electronic energy bands and 4f-conduction electron exchange matrix elements. This derivation neglects the detailed behavior of electron-electron interaction within the conduction band, which is known to be important in metallic systems. By using an equation of motion method, an expression for the inelastic neutron scattering cross-section has been derived which includes, in an approximate way, this electron-electron interaction. The results of this calculation indicate that spin-wave peaks can be broadened and shifted if the spin-wave band lies near the conduction electron Stoner continuum. The origin of this effect is similar to that found in itinerant electron systems where the spin-wave band actually intersects the Stoner continuum, resulting in the disappearance of the spin-wave mode

  4. Role of electron-electron interactions in the RKKY theory of magnetism

    International Nuclear Information System (INIS)

    Cooke, J.F.

    1979-01-01

    The theory of magnetism in heavy rare earth metals is based on the RKKY theory. In this formalism the indirect exchange interaction between the local 4f spins is mediated by the conduction electrons. When carried to second order in the 4f-conduction electron interaction, traditional pertubation theory leads to a Heisenberg-like interaction between the local spins which depends on the electronic energy bands and 4f-conduction electron exchange matrix elements. This derivation neglects the detailed behavior of electron-electron interaction within the conduction band, which is known to be important in metallic systems. By using an equation of motion method, an expression for the inelastic neutron scattering cross-section has been derived which includes, in an approximate way, this electron-electron interaction. The results of this calculation indicate that spin-wave peaks can be broadened and shifted if the spin-wave band lies near the conduction electron Stoner continuum. The origin of this effect is similar to that found in itinerant electron systems where the spin-wave band actually intersects the Stoner continuum, resulting in the disappearance of the spin-wave mode

  5. Monte Carlo study of electron relaxation in graphene with spin polarized, degenerate electron gas in presence of electron-electron scattering

    Science.gov (United States)

    Borowik, Piotr; Thobel, Jean-Luc; Adamowicz, Leszek

    2017-12-01

    The Monte Carlo simulation method is applied to study the relaxation of excited electrons in monolayer graphene. The presence of spin polarized background electrons population, with density corresponding to highly degenerate conditions is assumed. Formulas of electron-electron scattering rates, which properly account for electrons presence in two energetically degenerate, inequivalent valleys in this material are presented. The electron relaxation process can be divided into two phases: thermalization and cooling, which can be clearly distinguished when examining the standard deviation of electron energy distribution. The influence of the exchange effect in interactions between electrons with parallel spins is shown to be important only in transient conditions, especially during the thermalization phase.

  6. Double Emittance Exchanger as a Bunch Compressor for the MaRIE XFEL electron beam line at 1GeV

    Energy Technology Data Exchange (ETDEWEB)

    Malyzhenkov, Alexander [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Northern Illinois Univ., DeKalb, IL (United States); Yampolsky, Nikolai [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carlsten, Bruce Eric [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-09-22

    We demonstrate an alternative realization of a bunch compressor (specifically the second bunch compressor for the MaRIE XFEL beamline, 1GeV electron energy) using a double emittance exchanger (EEX) and a telescope in the transverse phase space.We compare our results with a traditional bunch compressor realized via chicane, taking into account the nonlinear dynamics, Coherent Synchrotron Radiation (CSR) and Space Charge (SC) effects. In particular, we use the Elegant code for tracking particles through the beam line and analyze the eigen-emittances evolution to separate the influence of the CSR/SC effects from the nonlinear dynamics effects. We optimize the scheme parameters to reach a desirable compression factor and minimize the emittance growth. We observe dominant CSR-effects in our scheme resulting in critical emittance growth and introduce alternative version of an emittance exchanger with a reduced number of bending magnets to minimize the impact of CSR effects.

  7. A computational study of magnetic exchange interactions of 3d and 4f electrons in Ti-Ce co-doped AlN

    Energy Technology Data Exchange (ETDEWEB)

    Majid, Abdul, E-mail: abdulmajid40@yahoo.com [Department of Physics, University of Gujrat, Gujrat (Pakistan); Department of Adaptive Machine Systems, Osaka University, Osaka (Japan); Azmat, Mian [Department of Physics, University of Gujrat, Gujrat (Pakistan); Rana, Usman Ali; Khan, Salah Ud-Din [Sustainable Energy Technologies Center, College of Engineering, King Saud University, PO-Box 800, Riyadh 11421 (Saudi Arabia); Alzahrani, Eman [Department of Chemistry, Faculty of Science, Taif University, 888 Taif (Saudi Arabia)

    2016-08-15

    To investigate the nature of 3d-4f exchange interactions in III-Nitride semiconductors, Ti-Ce co-doped AlN were studied using first principles calculations. The calculations were performed using supercell approach with varying dopant concentration and different inter-dopant separation. The configuration with dopant located as nearest neighbor distance and diluted concentration of 3.125% was found most stable. The results exhibited prominent evidence of 3d-4f-5d strong hybridization suggesting 3d-4f direct exchange interactions which may play valuable role to exploit the system as high Curie temperature ferromagnetic semiconductors for use in spintronics. Moreover, metal to metal charge transfer was also observed in the materials which may be exploited for their use in electrochemical applications. The 4f-5d and 3d-5d hybridizations were observed that predicts excellent luminescence phenomena in the materials. The presence of impurity related deep intermediate bands suggest applications of the materials in opto-electronic and spintronics devices. - Highlights: • Double exchange interaction in Ti:AlN. • Impurity induced narrowing of band gap. • Superexchange interaction in Ce:AlN. • 3d-4f exchange interaction between Ti-3d and Ce-4f states. • High Curie temperature n-type ferromagnetic semiconductors.

  8. A computational study of magnetic exchange interactions of 3d and 4f electrons in Ti-Ce co-doped AlN

    International Nuclear Information System (INIS)

    Majid, Abdul; Azmat, Mian; Rana, Usman Ali; Khan, Salah Ud-Din; Alzahrani, Eman

    2016-01-01

    To investigate the nature of 3d-4f exchange interactions in III-Nitride semiconductors, Ti-Ce co-doped AlN were studied using first principles calculations. The calculations were performed using supercell approach with varying dopant concentration and different inter-dopant separation. The configuration with dopant located as nearest neighbor distance and diluted concentration of 3.125% was found most stable. The results exhibited prominent evidence of 3d-4f-5d strong hybridization suggesting 3d-4f direct exchange interactions which may play valuable role to exploit the system as high Curie temperature ferromagnetic semiconductors for use in spintronics. Moreover, metal to metal charge transfer was also observed in the materials which may be exploited for their use in electrochemical applications. The 4f-5d and 3d-5d hybridizations were observed that predicts excellent luminescence phenomena in the materials. The presence of impurity related deep intermediate bands suggest applications of the materials in opto-electronic and spintronics devices. - Highlights: • Double exchange interaction in Ti:AlN. • Impurity induced narrowing of band gap. • Superexchange interaction in Ce:AlN. • 3d-4f exchange interaction between Ti-3d and Ce-4f states. • High Curie temperature n-type ferromagnetic semiconductors.

  9. Kinetics of the metal exchange in Bis(salicylaldiminato)-copper(II)-complexes. Pt. 3. Influence of the electron density at the donor nitrogen

    Energy Technology Data Exchange (ETDEWEB)

    Winkler, H; Wannowius, K J; Elias, H [Technische Hochschule Darmstadt (Germany, F.R.). Fachbereich Anorganische Chemie und Kernchemie

    1977-01-01

    The kinetics of isotopic copper exchange between various (bis-(N-phenyl-salicylaldiminato))copper(II)complexes (= CuL/sub 2/) and mono(pyridine)copper(II)acetate (= CuAc/sub 2/py) was studied in dichloromethane as solvent in the temperature range -20 to +20/sup 0/C. The exchange follows the experimental rate law (5), which is simplified in certain cases due to k''((CuAc/sub 2/py)/sub 2/)/sup 1///sup 2/ < 1. The variation of substituents X on the salicylaldehyde ring and of substituents Y on the N-phenyl ring leads via Hammett plots to the conclusion that substituent effects become apparent as rate increasing or rate decreasing only in those cases, in which they cause an increase or decrease in electron density at the donor oxygen. Substituents Y in 2-position, and especially in 2.6-position, reduce the rate of exchange with increasing van der Waals radius of Y. The mechanistic implications of the results are discussed. (orig.) 891 HK.

  10. Electronic Commerce

    OpenAIRE

    Slavko Đerić

    2016-01-01

    Electronic commerce can be defined in different ways. Any definition helps to understand and explain that concept as better as possible.. Electronic commerce is a set of procedures and technologies that automate the tasks of financial transactions using electronic means. Also, according to some authors, electronic commerce is defined as a new concept, which is being developed and which includes process of buying and selling or exchanging products, services or information via computer networks...

  11. The character of resonant charge exchange involving highly excited atoms

    International Nuclear Information System (INIS)

    Kosarim, A. V.; Smirnov, B. M.; Capitelli, M.; Laricchiuta, A.

    2012-01-01

    We study the process of resonant charge exchange involving excited helium atoms with the principal quantum number n = 5 colliding with the helium ion in the ground state in the collision energy range from thermal up to 10 eV. This information may be important for the analysis of planet atmospheres containing helium, in particular, for Jupiter’s atmosphere, but our basic interest is the transition from the quantum to classical description of this process, where, due to large cross sections, evaluations of the cross sections are possible. For the chosen process, quantum theory allows determining the cross section as a result of a tunnel electron transition, while classical theory accounts for over-barrier electron transitions. The classical theory additionally requires effective transitions between states with close energies. The analysis of these transitions for helium with n = 5 shows that electron momenta and their projections are mixed for a part of the states, while for other states, the mixing is absent. A simple criterion to separate such states is given. In addition, the main contribution to the cross section of resonant charge exchange follows from tunnel electron transitions. As a result, the quantum theory is better for calculating the cross sections of resonant charge exchange than the classical one and also allows finding the partial cross sections of resonant charge exchange, while the classical approach gives the cross section of resonant charge exchange in a simple manner with the accuracy of 20%.

  12. Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit

    International Nuclear Information System (INIS)

    Zhou, Yongxi; Ernzerhof, Matthias; Bahmann, Hilke

    2015-01-01

    Drawing on the adiabatic connection of density functional theory, exchange-correlation functionals of Kohn-Sham density functional theory are constructed which interpolate between the extreme limits of the electron-electron interaction strength. The first limit is the non-interacting one, where there is only exchange. The second limit is the strong correlated one, characterized as the minimum of the electron-electron repulsion energy. The exchange-correlation energy in the strong-correlation limit is approximated through a model for the exchange-correlation hole that is referred to as nonlocal-radius model [L. O. Wagner and P. Gori-Giorgi, Phys. Rev. A 90, 052512 (2014)]. Using the non-interacting and strong-correlated extremes, various interpolation schemes are presented that yield new approximations to the adiabatic connection and thus to the exchange-correlation energy. Some of them rely on empiricism while others do not. Several of the proposed approximations yield the exact exchange-correlation energy for one-electron systems where local and semi-local approximations often fail badly. Other proposed approximations generalize existing global hybrids by using a fraction of the exchange-correlation energy in the strong-correlation limit to replace an equal fraction of the semi-local approximation to the exchange-correlation energy in the strong-correlation limit. The performance of the proposed approximations is evaluated for molecular atomization energies, total atomic energies, and ionization potentials

  13. Precession mechanism of spin relaxation at frequent electron-electron collisions

    CERN Document Server

    Glazov, M M

    2002-01-01

    It is shown that the spin relaxation mechanism in the two-dimensional electron gas, is controlled not only through the electron pulse relaxation processes, determining the mobility, but through the electron-electron collisions as well. It is decided to use the kinetic equation, describing the electron spin mixing in the k-space, for determining the spin relaxation time tau sub s at frequent electron-electron collisions. The tau sub s time is calculated for the nondegenerated electron gas both with an account and with no account of the exchange interaction

  14. ORGANIZATIONAL, LEGAL AND TECHNOLOGICAL ASPECTS OF HEALTH INFORMATION EXCHANGE

    Directory of Open Access Journals (Sweden)

    N. A. Karasev

    2017-01-01

    Full Text Available The article discusses organizational and legal aspects of electronic health information exchange in developed countries, particularly, introduction of electronic medical records in the United States and Europe, as well as topical issues related to standardization of information technologies in health care. We briefly describe the most popular standards used in e-medicine, such as Digital Imaging and Communications in Medicine (DICOM, openEHR and HL7. The questions of syntactic and semantic interoperability in the exchange of electronic medical records and some aspects of the digital signature use are also considered. We suggest mechanisms for implementation of electronic document management and sharing of digital medical information, as one of the most important directions of information technologies in health care. It is noted that today, the main limiting factor in providing the digital exchange of health information in Russian Federation is unresolved legal issues, i.e. the absence of a legal framework of electronic medical records share. At the same time, the level of IT development in our country is quite sufficient to meet current challenges. It is stated that, despite the unresolved number of problems (for example, completeness of medical data on a patient, given to relatives in critical situations, the adoption of a single electronic card is able to bring medical care to a new level, especially in emergency and urgent medicine.

  15. Electron beam welding of heat exchangers

    International Nuclear Information System (INIS)

    Chergov, I.V.; Jarinov, V.I.; Minine, V.A.

    1983-01-01

    For a long time neither qualitative, nor quantitative criteria have been available that would have allowed choosing the most suitable welding techniques from the three stated below: 1) electron gun rotates relative to stationary tube; 2) electron beam is magnetically deviated relative to stationary tube; 3) permanent deviation magnet is rotated mechanically relative to stationary tube and gun. To our experience, the 2nd technique is most promising when welding 16x1.5 diameter stainless tubes. The e-b welds are vulnerable to root defects. With welding done in a movable manner, the root defect area will be found to locate in the tube plate body and, hence, the weldment, as a whole, will not be impaired [fr

  16. Statistical thermodynamics and energy exchanges

    International Nuclear Information System (INIS)

    Oudet, X.

    1987-01-01

    The probability of finding the energy of a particle in the vicinity of a given energy is determined, taking into account of the conservation of energy during the exchanges of energy. As a result the exchanges which determine the different probabilities also introduce a dependence between them, allowing a full calculation. The solution has the main properties of the distribution of Fermi-Dirac, with the mean energy per particle as variable in place of temperature. It allows to propose a localized model for the conduction electrons [fr

  17. Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory.

    Science.gov (United States)

    Vikramaditya, Talapunur; Lin, Shiang-Tai

    2017-06-05

    Accurate determination of ionization potentials (IPs), electron affinities (EAs), fundamental gaps (FGs), and HOMO, LUMO energy levels of organic molecules play an important role in modeling and predicting the efficiencies of organic photovoltaics, OLEDs etc. In this work, we investigate the effects of Hartree Fock (HF) Exchange, correlation energy, and long range corrections in predicting IP and EA in Hybrid Functionals. We observe increase in percentage of HF exchange results in increase of IPs and decrease in EAs. Contrary to the general expectations inclusion of both HF exchange and correlation energy (from the second order perturbation theory MP2) leads to poor prediction. Range separated Hybrid Functionals are found to be more reliable among various DFT Functionals investigated. DFT Functionals predict accurate IPs whereas post HF methods predict accurate EAs. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  18. THE ELECTRONIC SIGNATURE

    Directory of Open Access Journals (Sweden)

    Voiculescu Madalina Irena

    2009-05-01

    Full Text Available Article refers to significance and the digital signature in electronic commerce. Internet and electronic commerce open up many new opportunities for the consumer, yet, the security (or perceived lack of security of exchanging personal and financial data

  19. Novel Power Electronics Three-Dimensional Heat Exchanger: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Bennion, K.; Cousineau, J.; Lustbader, J.; Narumanchi, S.

    2014-08-01

    Electric drive systems for vehicle propulsion enable technologies critical to meeting challenges for energy, environmental, and economic security. Enabling cost-effective electric drive systems requires reductions in inverter power semiconductor area. As critical components of the electric drive system are made smaller, heat removal becomes an increasing challenge. In this paper, we demonstrate an integrated approach to the design of thermal management systems for power semiconductors that matches the passive thermal resistance of the packaging with the active convective cooling performance of the heat exchanger. The heat exchanger concept builds on existing semiconductor thermal management improvements described in literature and patents, which include improved bonded interface materials, direct cooling of the semiconductor packages, and double-sided cooling. The key difference in the described concept is the achievement of high heat transfer performance with less aggressive cooling techniques by optimizing the passive and active heat transfer paths. An extruded aluminum design was selected because of its lower tooling cost, higher performance, and scalability in comparison to cast aluminum. Results demonstrated a heat flux improvement of a factor of two, and a package heat density improvement over 30%, which achieved the thermal performance targets.

  20. Live-cell imaging of biothiols via thiol/disulfide exchange to trigger the photoinduced electron transfer of gold-nanodot sensor

    International Nuclear Information System (INIS)

    Liu, Ching-Ping; Wu, Te-Haw; Liu, Chia-Yeh; Lin, Shu-Yi

    2014-01-01

    Highlights: • The ultrasmall size, PAMAM dendrimer-entrapped Au 8 -clusters were synthesized. • Thiol/disulfide exchange with biothiols to release 2-PyT resulted in quenching. • The sensing platform can detect both low and high molecular weight thiols. • Capable of imaging biothiols including protein thiols in living cells. - Abstract: Biothiols have been reported to involve in intracellular redox-homeostasis against oxidative stress. In this study, a highly selective and sensitive fluorescent probe for sensing biothiols is explored by using an ultrasmall gold nanodot (AuND), the dendrimer-entrapped Au 8 -cluster. This strategy relies upon a thiol/disulfide exchange to trigger the fluorescence change through a photoinduced electron transfer (PET) process between the Au 8 -cluster (as an electron donor) and 2-pyridinethiol (2-PyT) (as an electron acceptor) for sensing biothiols. When 2-PyT is released via the cleavage of disulfide bonds by biothiols, the PET process from the Au 8 -cluster to 2-PyT is initiated, resulting in fluorescence quenching. The fluorescence intensity was found to decrease linearly with glutathione (GSH) concentration (0–1500 μM) at physiological relevant levels and the limit of detection for GSH was 15.4 μM. Compared to most nanoparticle-based fluorescent probes that are limited to detect low molecular weight thiols (LMWTs; i.e., GSH and cysteine), the ultrasmall Au 8 -cluster-based probe exhibited less steric hindrance and can be directly applied in selectively and sensitively detecting both LMWTs and high molecular weight thiols (HMWTs; i.e., protein thiols). Based on such sensing platform, the surface-functionalized Au 8 -cluster has significant promise for use as an efficient nanoprobe for intracellular fluorescence imaging of biothiols including protein thiols in living cells whereas other nanoparticle-based fluorescent probes cannot

  1. Live-cell imaging of biothiols via thiol/disulfide exchange to trigger the photoinduced electron transfer of gold-nanodot sensor

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Ching-Ping; Wu, Te-Haw; Liu, Chia-Yeh; Lin, Shu-Yi, E-mail: shuyi@nhri.org.tw

    2014-11-07

    Highlights: • The ultrasmall size, PAMAM dendrimer-entrapped Au{sub 8}-clusters were synthesized. • Thiol/disulfide exchange with biothiols to release 2-PyT resulted in quenching. • The sensing platform can detect both low and high molecular weight thiols. • Capable of imaging biothiols including protein thiols in living cells. - Abstract: Biothiols have been reported to involve in intracellular redox-homeostasis against oxidative stress. In this study, a highly selective and sensitive fluorescent probe for sensing biothiols is explored by using an ultrasmall gold nanodot (AuND), the dendrimer-entrapped Au{sub 8}-cluster. This strategy relies upon a thiol/disulfide exchange to trigger the fluorescence change through a photoinduced electron transfer (PET) process between the Au{sub 8}-cluster (as an electron donor) and 2-pyridinethiol (2-PyT) (as an electron acceptor) for sensing biothiols. When 2-PyT is released via the cleavage of disulfide bonds by biothiols, the PET process from the Au{sub 8}-cluster to 2-PyT is initiated, resulting in fluorescence quenching. The fluorescence intensity was found to decrease linearly with glutathione (GSH) concentration (0–1500 μM) at physiological relevant levels and the limit of detection for GSH was 15.4 μM. Compared to most nanoparticle-based fluorescent probes that are limited to detect low molecular weight thiols (LMWTs; i.e., GSH and cysteine), the ultrasmall Au{sub 8}-cluster-based probe exhibited less steric hindrance and can be directly applied in selectively and sensitively detecting both LMWTs and high molecular weight thiols (HMWTs; i.e., protein thiols). Based on such sensing platform, the surface-functionalized Au{sub 8}-cluster has significant promise for use as an efficient nanoprobe for intracellular fluorescence imaging of biothiols including protein thiols in living cells whereas other nanoparticle-based fluorescent probes cannot.

  2. Replacing Electron Transport Cofactors with Hydrogenases

    KAUST Repository

    Laamarti, Rkia

    2016-01-01

    to directly exchange electrons with electrodes. Hence, the co-immobilization of both, an electron-utilizing and an electron-generating oxidoreductase on conductive nanoparticles should facilitate the direct electron flow from an enzymatic oxidation to a

  3. Exact time-dependent exchange-correlation potentials for strong-field electron dynamics

    International Nuclear Information System (INIS)

    Lein, Manfred; Kuemmel, Stephan

    2005-01-01

    By solving the time-dependent Schroedinger equation and inverting the time-dependent Kohn-Sham scheme we obtain the exact time-dependent exchange-correlation potential of density-functional theory for the strong-field dynamics of a correlated system. We demonstrate that essential features of the exact exchange-correlation potential can be related to derivative discontinuities in stationary density-functional theory. Incorporating the discontinuity in a time-dependent density-functional calculation greatly improves the description of the ionization process

  4. Radiology Reporting System Data Exchange With the Electronic Health Record System: A Case Study in Iran.

    Science.gov (United States)

    Ahmadi, Maryam; Ghazisaeidi, Marjan; Bashiri, Azadeh

    2015-03-18

    In order to better designing of electronic health record system in Iran, integration of health information systems based on a common language must be done to interpret and exchange this information with this system is required. This study provides a conceptual model of radiology reporting system using unified modeling language. The proposed model can solve the problem of integration this information system with the electronic health record system. By using this model and design its service based, easily connect to electronic health record in Iran and facilitate transfer radiology report data. This is a cross-sectional study that was conducted in 2013. The study population was 22 experts that working at the Imaging Center in Imam Khomeini Hospital in Tehran and the sample was accorded with the community. Research tool was a questionnaire that prepared by the researcher to determine the information requirements. Content validity and test-retest method was used to measure validity and reliability of questioner respectively. Data analyzed with average index, using SPSS. Also Visual Paradigm software was used to design a conceptual model. Based on the requirements assessment of experts and related texts, administrative, demographic and clinical data and radiological examination results and if the anesthesia procedure performed, anesthesia data suggested as minimum data set for radiology report and based it class diagram designed. Also by identifying radiology reporting system process, use case was drawn. According to the application of radiology reports in electronic health record system for diagnosing and managing of clinical problem of the patient, with providing the conceptual Model for radiology reporting system; in order to systematically design it, the problem of data sharing between these systems and electronic health records system would eliminate.

  5. Uranium isotopic effect studies on cation and anion exchange resins

    International Nuclear Information System (INIS)

    Sarpal, S.K.; Gupta, A.R.

    1975-01-01

    Uranium isotope effects in exchange reactions involving hexavalent and tetravalent uranium, on ion exchange resins, have been re-examined. The earlier work on uranium isotope effects in electron exchange reactions involving hexavalent and tetravalent uranium, has been critically reviewed. New experimental data on these systems in hydrochloric acid medium, has been obtained, using break-through technique on anion-exchange columns. The isotope effects in these break-through experiments have been reinterpreted in a way which is consistent with the anion exchange behaviour of the various uranium species in these systems. (author)

  6. Direct in situ transmission electron microscopy observation of Al push up during early stages of the Al-induced layer exchange

    International Nuclear Information System (INIS)

    Birajdar, B.I.; Antesberger, T.; Butz, B.; Stutzmann, M.; Spiecker, E.

    2012-01-01

    The mechanism of Al transport during Al-induced layer exchange and crystallization of amorphous Si (a-Si) has been investigated by in situ and analytical transmission electron microscopy. Significant grain boundary realignment and coarsening of Al grains close to the Si crystallization growth front as well as push up of excess Al into the a-Si layer at distances even a few micrometers away from the crystallization front were observed. Stress-mediated diffusion of Al is postulated to explain the experimental observations.

  7. Electron transfer reactions

    CERN Document Server

    Cannon, R D

    2013-01-01

    Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal ions in solution, as well as the electron exchange between atoms or molecules in either the gaseous or solid state. The book is divided into three parts. Part 1 covers the electron transfer between atoms and molecules in the gas state. Part 2 tackles the reaction paths of oxidation states and binuclear intermediates, as well as the mechanisms of electron transfer. Part 3 discusses the theories and models of the electron transfer process; theories and experiments involving bridged electron transfe

  8. Assessment, Cleanup and Redevelopment Exchange System (ACRES)

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Assessment, Cleanup and Redevelopment Exchange System (ACRES) is an online database for Brownfields Grantees to electronically submit data directly to EPA.

  9. Exchange-correlation energy in the orbital occupancy method: electronic structure of organic molecules

    International Nuclear Information System (INIS)

    Oszwaldowski, R; Vazquez, H; Pou, P; Ortega, J; Perez, R; Flores, F

    2003-01-01

    A new DF-LCAO (density functional with local combination of atomic orbitals) method is used to calculate the electronic properties of 3,4,9,10 perylenetetracarboxylic dianhydride (PTCDA), C 6 H 6 , CH 4 , and CO. The method, called the OO (orbital occupancy) method, is a DF-based theory, which uses the OOs instead of ρ(r) to calculate the exchange and correlation energies. In our calculations, we compare the OO method with the conventional local density approximation approach. Our results show that, using a minimal basis set, we obtain equilibrium bond lengths and binding energies for PTCDA, C 6 H 6 , and CH 4 which are respectively within 6, and 10-15% of the experimental values. We have also calculated the affinity and ionization levels, as well as the optical gap, for benzene and PTCDA and have found that a variant of Koopmans' theorem works well for these molecules. Using this theorem we calculate the Koopmans relaxation energies of the σ- and π-orbitals for PTCDA and have obtained this molecule's density of states which compares well with experimental evidence

  10. Back-exchange: a novel approach to quantifying oxygen diffusion and surface exchange in ambient atmospheres.

    Science.gov (United States)

    Cooper, Samuel J; Niania, Mathew; Hoffmann, Franca; Kilner, John A

    2017-05-17

    A novel two-step Isotopic Exchange (IE) technique has been developed to investigate the influence of oxygen containing components of ambient air (such as H 2 O and CO 2 ) on the effective surface exchange coefficient (k*) of a common mixed ionic electronic conductor material. The two step 'back-exchange' technique was used to introduce a tracer diffusion profile, which was subsequently measured using Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The isotopic fraction of oxygen in a dense sample as a function of distance from the surface, before and after the second exchange step, could then be used to determine the surface exchange coefficient in each atmosphere. A new analytical solution was found to the diffusion equation in a semi-infinite domain with a variable surface exchange boundary, for the special case where D* and k* are constant for all exchange steps. This solution validated the results of a numerical, Crank-Nicolson type finite-difference simulation, which was used to extract the parameters from the experimental data. When modelling electrodes, D* and k* are important input parameters, which significantly impact performance. In this study La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF6428) was investigated and it was found that the rate of exchange was increased by around 250% in ambient air compared to high purity oxygen at the same pO 2 . The three experiments performed in this study were used to validate the back-exchange approach and show its utility.

  11. Charge-Transfer Effects in Ligand Exchange Reactions of Au25 Monolayer-Protected Clusters.

    Science.gov (United States)

    Carducci, Tessa M; Blackwell, Raymond E; Murray, Royce W

    2015-04-16

    Reported here are second-order rate constants of associative ligand exchanges of Au25L18 nanoparticles (L = phenylethanethiolate) of various charge states, measured by proton nuclear magnetic resonance at room temperature and below. Differences in second-order rate constants (M(-1) s(-1)) of ligand exchange (positive clusters ∼1.9 × 10(-5) versus negative ones ∼1.2 × 10(-4)) show that electron depletion retards ligand exchange. The ordering of rate constants between the ligands benzeneselenol > 4-bromobenzene thiol > benzenethiol reveals that exchange is accelerated by higher acidity and/or electron donation capability of the incoming ligand. Together, these observations indicate that partial charge transfer occurs between the nanoparticle and ligand during the exchange and that this is a rate-determining effect in the process.

  12. The effect of exchange-correlation on change and stability of crystal structure

    International Nuclear Information System (INIS)

    Yazdani, A.; Niazi, M.; Alimardan, V.

    2007-01-01

    Since exchange interaction energy has effect on band structure via polarization of spin of free electron, then can directly effects formation crystal structure. Therefore exchange-correlation is able to have an effect on determination of crystal structure or its change and stability. This energy is subject to fluctuation range of electrons between conduction band and valance band or density of electrons which due to increase the entropy of system, via Gibss Energy .We investigated these factors: 1) Size of ions 2) Density of States 3) Range of inter atomic and pair-potential.

  13. The dielectric environment dependent exchange self-energy of the energy structure in graphene

    International Nuclear Information System (INIS)

    Yang, C.H.; Xu, W.

    2010-01-01

    We theoretically calculate the energy dispersion in the presence of the screened exchange self-energy in extrinsic monolayer graphene. It is found that the exchange self-energy enhances the renormalized Fermi velocity. With decreasing the dielectric constant, the screening effect and the electron correlation effect increase which induces the Fermi velocity increasing. The screened exchange energy has an energy shift at the Dirac points. The self-energy from the valance band carriers gives the main contribution to the effective energy. We also discuss the electron density dependence of the self-energy.

  14. The dielectric environment dependent exchange self-energy of the energy structure in graphene

    Energy Technology Data Exchange (ETDEWEB)

    Yang, C.H., E-mail: chyang@nuist.edu.c [Faculty of Maths and Physics, Nanjing University of Information Science and Technology, Nanjing 210044 (China); Xu, W. [Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

    2010-10-01

    We theoretically calculate the energy dispersion in the presence of the screened exchange self-energy in extrinsic monolayer graphene. It is found that the exchange self-energy enhances the renormalized Fermi velocity. With decreasing the dielectric constant, the screening effect and the electron correlation effect increase which induces the Fermi velocity increasing. The screened exchange energy has an energy shift at the Dirac points. The self-energy from the valance band carriers gives the main contribution to the effective energy. We also discuss the electron density dependence of the self-energy.

  15. An electronic specimen collection protocol schema (eSCPS). Document architecture for specimen management and the exchange of specimen collection protocols between biobanking information systems.

    Science.gov (United States)

    Eminaga, O; Semjonow, A; Oezguer, E; Herden, J; Akbarov, I; Tok, A; Engelmann, U; Wille, S

    2014-01-01

    The integrity of collection protocols in biobanking is essential for a high-quality sample preparation process. However, there is not currently a well-defined universal method for integrating collection protocols in the biobanking information system (BIMS). Therefore, an electronic schema of the collection protocol that is based on Extensible Markup Language (XML) is required to maintain the integrity and enable the exchange of collection protocols. The development and implementation of an electronic specimen collection protocol schema (eSCPS) was performed at two institutions (Muenster and Cologne) in three stages. First, we analyzed the infrastructure that was already established at both the biorepository and the hospital information systems of these institutions and determined the requirements for the sufficient preparation of specimens and documentation. Second, we designed an eSCPS according to these requirements. Finally, a prospective study was conducted to implement and evaluate the novel schema in the current BIMS. We designed an eSCPS that provides all of the relevant information about collection protocols. Ten electronic collection protocols were generated using the supplementary Protocol Editor tool, and these protocols were successfully implemented in the existing BIMS. Moreover, an electronic list of collection protocols for the current studies being performed at each institution was included, new collection protocols were added, and the existing protocols were redesigned to be modifiable. The documentation time was significantly reduced after implementing the eSCPS (5 ± 2 min vs. 7 ± 3 min; p = 0.0002). The eSCPS improves the integrity and facilitates the exchange of specimen collection protocols in the existing open-source BIMS.

  16. Experimental study of heat transfer in a heat exchanger with rectangular channels

    International Nuclear Information System (INIS)

    Hammami, Mahmoud; Ben Said, Akrem; Ben Maad, Rejeb; Rebay, Mourad

    2009-01-01

    This paper presents the results of an experimental study related to characterisation of a mini channel heat exchanger. Such heat exchanger may be used in water cooling of electronic components. The results obtained show the efficiency of this exchanger even with very low water flow rates. Indeed, in spite of the importance of the extracted heat fluxes which can reach about 50Kw/m 2 , the temperature of the cooled Aluminium bloc remained always lower than the tolerated threshold of 80 degree in electronic cooling. Moreover, several thermal characteristics such as equivalent thermal resistance of the exchanger, the average internal convective heat transfer coefficient and the increase in the temperature of the cooling water have been measured. The results presented have been obtained with in q uinconce r ectangular mini-channel heat exchanger, with a hydraulic diameter D h = 2mm. NOMENCLATURE h D Hydraulic diameter (mm). int

  17. Laboratory Studies of X-ray Spectra Formed by Charge Exchange

    Science.gov (United States)

    Beiersdorfer, Peter; Ali, R.; Brown, G. V.; Koutroumpa, D.; Kelley, R. L.; Kilbourne, C.; Leutenegger, M. A.; Porter, F.

    2013-04-01

    Charge exchange between ions and neutral atoms or molecules has been accepted at an important soft producing process in our solar system. By extension, charge exchange may contribute to the X-ray emission of circumstellar material. It may also produce X-ray emission at the boundaries of supernova ejecta and star burst galaxies, or whenever hot plasma collides with neutral matter. X-ray spectra of K-shell and L-shell ions formed by charge exchange have now been studied in a variety of laboratory settings. These experiments have shown several characteristic features of line formation by charge exchange when compared to the X-ray emission produced by electron-impact excitation, e.g., enhancement emission of forbidden lines and of lines from levels with high principal quantum number. They have also shown a dependence on the interaction gas and on the energy of the ion-neutral collision. Moreover, the transfer of multiple electrons is typically preferred, provided the donor molecules or atoms have multiple valence-shell electrons. The laboratory measurements are in qualitative agreement with theory. However, the details of the observed X-ray spectra, especially those recorded with high spectral resolution, can differ substantially from predictions, especially for spectra produced at collision velocities equal to or lower than those found in thermal plasmas or produced with neutral gases other than atomic hydrogen. Puzzling discrepancies can be noted, such as enhanced emission from an upper level with the 'wrong' principal quantum number. Even more puzzling is a recent experiment in which two, co-mixed bare ion species of similar atomic number produce very different Lyman series emission upon charge exchange with a given neutral gas, defying both theoretical predictions and empirical scaling. Laboratory measurements have also shown that some of the characteristic features of charge exchange can be reproduced by radiative electron capture, i.e., by capture of a continuum

  18. Electronic device for measuring the polarization parameter in the π-p → π0n charge exchange reaction on a polarized proton target

    International Nuclear Information System (INIS)

    Brehin, S.

    1967-12-01

    An electronic apparatus has been constructed to measure the polarization parameter P 0 (t) in π - p → π 0 n charge exchange scattering at 5.9 GeV/c and 11,2 GeV/c on polarized proton target. This device insures triggering of a heavy plate spark chamber, allowing visualisation of γ rays from the π 0 decays when the associated neutron offers suitable characteristics in direction and energy. The neutron is detected by an array of 32 counters and his energy is measured by a time of flight method. Electronic circuits of this apparatus are described as test and calibration methods used. (author) [fr

  19. Designing for acceptance : Exchange design for electronic intermediaries

    NARCIS (Netherlands)

    Fielt, E.J.

    2006-01-01

    Electronic business has brought many success stories as well as failures. Intermediaries are a particularly interesting application domain: on the one hand, they are given opportunities by electronic business to reinvent their value logic, while on the other they are threatened by opportunities for

  20. Non-local exchange correlation functionals impact on the structural, electronic and optical properties of III-V arsenides

    KAUST Repository

    Anua, N. Najwa

    2013-08-20

    Exchange correlation (XC) energy functionals play a vital role in the efficiency of density functional theory (DFT) calculations, more soundly in the calculation of fundamental electronic energy bandgap. In the present DFT study of III-arsenides, we investigate the implications of XC-energy functional and corresponding potential on the structural, electronic and optical properties of XAs (X = B, Al, Ga, In). Firstly we report and discuss the optimized structural lattice parameters and the band gap calculations performed within different non-local XC functionals as implemented in the DFT-packages: WIEN2k, CASTEP and SIESTA. These packages are representative of the available code in ab initio studies. We employed the LDA, GGA-PBE, GGA-WC and mBJ-LDA using WIEN2k. In CASTEP, we employed the hybrid functional, sX-LDA. Furthermore LDA, GGA-PBE and meta-GGA were employed using SIESTA code. Our results point to GGA-WC as a more appropriate approximation for the calculations of structural parameters. However our electronic bandstructure calculations at the level of mBJ-LDA potential show considerable improvements over the other XC functionals, even the sX-LDA hybrid functional. We report also the optical properties within mBJ potential, which show a nice agreement with the experimental measurements in addition to other theoretical results. © 2013 IOP Publishing Ltd.

  1. Statistical Analysis of the Exchange Rate of Bitcoin.

    Science.gov (United States)

    Chu, Jeffrey; Nadarajah, Saralees; Chan, Stephen

    2015-01-01

    Bitcoin, the first electronic payment system, is becoming a popular currency. We provide a statistical analysis of the log-returns of the exchange rate of Bitcoin versus the United States Dollar. Fifteen of the most popular parametric distributions in finance are fitted to the log-returns. The generalized hyperbolic distribution is shown to give the best fit. Predictions are given for future values of the exchange rate.

  2. Flow with vibrational energy exchange, application to CO2 electric laser

    International Nuclear Information System (INIS)

    Dahan, Claude.

    1974-01-01

    The performances of a continuous wave (CO 2 , N 2 , He) laser ionized by an electron beam are calculated. Several types of phenomena are considered: energy exchange processes between molecules of laser medium, electron molecular excitation processes, aerodynamic phenomena: the energy exchanges accompanying the laser effect generate important quantities of heat, which have to be evacuated by the flow. After a survey of the fundamental assumptions on molecular phenomena, a computer code was developed for following, along the flow, the evolution of the thermodynamic parameters (pressure, temperature), of the laser gain, and of the electrical properties (electron density and temperature). To provide a finer description of the last ones, a model giving the energy distribution of the electrons in the laser medium was established [fr

  3. ION EXCHANGE IN GLASS-CERAMICS

    Directory of Open Access Journals (Sweden)

    George Halsey Beall

    2016-08-01

    Full Text Available In the past few years ion-exchange in glasses has found a renewed interest with a lot of new development and research in industrial and academic labs and the commercialization of materials with outstanding mechanical properties. These glasses are now widely used in many electronic devices including hand-held displays and tablets. The exchange is generally conducted in a bath of molten salt below the transition temperature of the glass. The exchange at the surface of an alkali ion by a bigger one brings compressive stress at the surface. The mechanical properties are dependent on the stress level at the surface and the depth of penetration of the bigger ion. As compared to glasses, glass-ceramics have the interest to display a wide range of aspects (transparent to opaque and different mechanical properties (especially higher modulus and toughness. There has been little research on ion-exchange in glass-ceramics. In these materials the mechanisms are much more complex than in glasses because of their polyphasic nature: ion-exchange generally takes place mostly in one phase (crystalline phase or residual glass. The mechanism can be similar to what is observed in glasses with the replacement of an ion by another in the structure. But in some cases this ion-exchange leads to microstructural modifications (for example amorphisation or phase change.This article reviews these ion-exchange mechanisms using several transparent and opaque alumino-silicate glass-ceramics as examples. The effect of the ion exchange in the various glass-ceramics will be described, with particular emphasis on flexural strength.

  4. Cross sections of electron excitation out of metastable helium levels with a fast metastable target product produced via charge exchange

    International Nuclear Information System (INIS)

    Lagus, M.E.; Boffard, J.B.; Anderson, L.W.; Lin, C.C.

    1996-01-01

    Absolute direct cross sections for electron excitation out of the 2 3 S level and into the 3 3 D, 4 3 D, and 3 3 S levels of the helium atom from threshold to 500 eV and into the 3 3 P level over a more limited energy range have been measured using a fast metastable atomic beam target. We produce the metastable atoms via near-resonant charge exchange between a 1.6-keV He + ion beam and Cs vapor. Because this reaction is highly nonresonant with the ground state of helium, the charge-transfer process yields a primarily metastable beam. We use a thermal detector which we calibrate with ions to measure absolutely the neutral beam flux. The atomic beam is crossed by an electron beam, and we collect the resulting fluorescence at right angles to both the electron and atomic beams. We obtain the cross sections for excitation out of the 2 3 S level into the various excited levels by monitoring the emission out of the excited level of interest. copyright 1996 The American Physical Society

  5. Microscopic theory of the Coulomb based exchange coupling in magnetic tunnel junctions.

    Science.gov (United States)

    Udalov, O G; Beloborodov, I S

    2017-05-04

    We study interlayer exchange coupling based on the many-body Coulomb interaction between conduction electrons in magnetic tunnel junction. This mechanism complements the known interaction between magnetic layers based on virtual electron hopping (or spin currents). We find that these two mechanisms have different behavior on system parameters. The Coulomb based coupling may exceed the hopping based exchange. We show that the Coulomb based exchange interaction, in contrast to the hopping based coupling, depends strongly on the dielectric constant of the insulating layer. The dependence of the interlayer exchange interaction on the dielectric properties of the insulating layer in magnetic tunnel junction is similar to magneto-electric effect where electric and magnetic degrees of freedom are coupled. We calculate the interlayer coupling as a function of temperature and electric field for magnetic tunnel junction with ferroelectric layer and show that the exchange interaction between magnetic leads has a sharp decrease in the vicinity of the ferroelectric phase transition and varies strongly with external electric field.

  6. Effects of electron correlation, exchange, and relaxation on x-ray, Auger, and Coster-Kronig transitions

    International Nuclear Information System (INIS)

    Karim, K.R.

    1983-01-01

    The first topic deals with Auger and radiative deexcitation of highly stripped phosphorus atoms. X-ray wavelengths, Auger energies, and decay rates have been calculated for various states of the P 4+ ion, with configurations (1s 2 2s 2 2p 5 )3s3p, 3s3d, 3s 2 , 3p 2 , and 3d 2 . Intermediate coupling and configuration interaction have been taken into account. The energies and decay rates are found to be strongly affected by configuration interaction. The theoretical results are compared with recent observations in ion-atom collision experiments. Good agreement with measured spectra is found, and the calculations characterize a number of lines that had not previously been identified. The second topic relates to the effects of exchange, relaxation, and electron correlation on the L 1 -L 23 M 1 Coster-Kronig spectrum of argon. The present calculation leads to good agreement with experimental transition energies and removes some of the discrepancies in transition rates. The total calculated transition rates are still about a factor of two higher than the measured rates. Relaxation tends to minimize the differences between individual L 1 -L 23 M 1 ( 1 P) and L 1 -L 23 M 1 ( 3 P) transition rates. The initial- and final-ionic-configuration interaction reduces the total decay rate by approx.35%. Inclusion of complete relaxation increases the total rate, however, by approx.1.5% rather than reducing it, with respect to calculations without relaxation. The exchange interaction also increases this rate by approx.9%

  7. 77 FR 10026 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing of...

    Science.gov (United States)

    2012-02-21

    ... Substance of the Proposed Rule Change The Exchange is proposing to amend its complex order processing rules... Exchange notes that at least one other options exchange that offers electronic complex order processing... simplify the rule text. In addition, the Exchange is proposing certain changes to simplify the definitions...

  8. A linear algebraic approach to electron-molecule collisions

    International Nuclear Information System (INIS)

    Collins, L.A.; Schnieder, B.I.

    1982-01-01

    The linear algebraic approach to electron-molecule collisions is examined by firstly deriving the general set of coupled integrodifferential equations that describe electron collisional processes and then describing the linear algebraic approach for obtaining a solution to the coupled equations. Application of the linear algebraic method to static-exchange, separable exchange and effective optical potential, is examined. (U.K.)

  9. Statistical Analysis of the Exchange Rate of Bitcoin.

    Directory of Open Access Journals (Sweden)

    Jeffrey Chu

    Full Text Available Bitcoin, the first electronic payment system, is becoming a popular currency. We provide a statistical analysis of the log-returns of the exchange rate of Bitcoin versus the United States Dollar. Fifteen of the most popular parametric distributions in finance are fitted to the log-returns. The generalized hyperbolic distribution is shown to give the best fit. Predictions are given for future values of the exchange rate.

  10. Statistical Analysis of the Exchange Rate of Bitcoin

    Science.gov (United States)

    Chu, Jeffrey; Nadarajah, Saralees; Chan, Stephen

    2015-01-01

    Bitcoin, the first electronic payment system, is becoming a popular currency. We provide a statistical analysis of the log-returns of the exchange rate of Bitcoin versus the United States Dollar. Fifteen of the most popular parametric distributions in finance are fitted to the log-returns. The generalized hyperbolic distribution is shown to give the best fit. Predictions are given for future values of the exchange rate. PMID:26222702

  11. Electrochemically Controlled Ion-exchange Property of Carbon Nanotubes/Polypyrrole Nanocomposite in Various Electrolyte Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Daiwon [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; Zhu, Chengzhou [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Fu, Shaofang [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Du, Dan [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Engelhard, Mark H. [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; Lin, Yuehe [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States

    2016-09-15

    The electrochemically controlled ion-exchange properties of multi-wall carbon nanotube (MWNT)/electronically conductive polypyrrole (PPy) polymer composite in the various electrolyte solutions have been investigated. The ion-exchange behavior, rate and capacity of the electrochemically deposited polypyrrole with and without carbon nanotube (CNT) were compared and characterized using cyclic voltammetry (CV), chronoamperometry (CA), electrochemical quartz crystal microbalance (EQCM), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). It has been found that the presence of carbon nanotube backbone resulted in improvement in ion-exchange rate, stability of polypyrrole, and higher anion loading capacity per PPy due to higher surface area, electronic conductivity, porous structure of thin film, and thinner film thickness providing shorter diffusion path. Chronoamperometric studies show that electrically switched anion exchange could be completed more than 10 times faster than pure PPy thin film. The anion selectivity of CNT/PPy film is demonstrated using X-ray photoelectron spectroscopy (XPS).

  12. Microscopic theory of cation exchange in CdSe nanocrystals.

    Science.gov (United States)

    Ott, Florian D; Spiegel, Leo L; Norris, David J; Erwin, Steven C

    2014-10-10

    Although poorly understood, cation-exchange reactions are increasingly used to dope or transform colloidal semiconductor nanocrystals (quantum dots). We use density-functional theory and kinetic Monte Carlo simulations to develop a microscopic theory that explains structural, optical, and electronic changes observed experimentally in Ag-cation-exchanged CdSe nanocrystals. We find that Coulomb interactions, both between ionized impurities and with the polarized nanocrystal surface, play a key role in cation exchange. Our theory also resolves several experimental puzzles related to photoluminescence and electrical behavior in CdSe nanocrystals doped with Ag.

  13. Graphene-coated polymeric anion exchangers for ion chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai; Cao, Minyi; Lou, Chaoyan [Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou 310028 (China); Wu, Shuchao, E-mail: wushch2002@163.com [Zhejiang Institute of Geology and Mineral Resources, Hangzhou 310007 (China); Zhang, Peimin [Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou 310028 (China); Zhi, Mingyu [Hangzhou Vocational & Technical College, Hangzhou, 310018 (China); Zhu, Yan, E-mail: zhuyan@zju.edu.cn [Department of Chemistry, Xixi Campus, Zhejiang University, Hangzhou 310028 (China)

    2017-06-01

    Carbonaceous stationary phases have gained much attention for their peculiar selectivity and robustness. Herein we report the fabrication and application of a graphene-coated polymeric stationary phase for anion exchange chromatography. The graphene-coated particles were fabricated by a facile evaporation-reduction method. These hydrophilic particles were proven appropriate substrates for grafting of hyperbranched condensation polymers (HBCPs) to make pellicular anion exchangers. The new phase was characterized by zeta potentials, Fourier transform infrared spectroscopy, thermogravimetry and scanning electron microscope. Frontal displacement chromatography showed that the capacities of the anion exchangers were tuned by both graphene amount and HBCPs layer count. The chromatographic performance of graphene-coated anion exchangers was demonstrated with separation of inorganic anions, organic acids, carbohydrates and amino acids. Good reproducibility was obtained by consecutive injections, indicating high chemical stability of the coating. - Highlights: • Graphene-coated polymeric particles were fabricated by a facile method. • Hyperbranched condensation polymers (HBCPs) were grafted from graphene-coated particles to make anion exchangers. • Graphene amount and HBCPs layer count had significant effects on the anion exchange capacities. • Separation of diverse anionic analytes on the anion exchangers was demonstrated. • The prepared anion exchangers exhibited high stability.

  14. Extracellular electron transfer mechanisms between microorganisms and minerals

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Liang; Dong, Hailiang; Reguera, Gemma; Beyenal, Haluk; Lu, Anhuai; Liu, Juan; Yu, Han-Qing; Fredrickson, James K.

    2016-08-30

    Electrons can be transferred from microorganisms to multivalent metal ions that are associated with minerals and vice versa. As the microbial cell envelope is neither physically permeable to minerals nor electrically conductive, microorganisms have evolved strategies to exchange electrons with extracellular minerals. In this Review, we discuss the molecular mechanisms that underlie the ability of microorganisms to exchange electrons, such as c-type cytochromes and microbial nanowires, with extracellular minerals and with microorganisms of the same or different species. Microorganisms that have extracellular electron transfer capability can be used for biotechnological applications, including bioremediation, biomining and the production of biofuels and nanomaterials.

  15. Kohn–Sham exchange-correlation potentials from second-order reduced density matrices

    Energy Technology Data Exchange (ETDEWEB)

    Cuevas-Saavedra, Rogelio; Staroverov, Viktor N., E-mail: vstarove@uwo.ca [Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7 (Canada); Ayers, Paul W. [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1 (Canada)

    2015-12-28

    We describe a practical algorithm for constructing the Kohn–Sham exchange-correlation potential corresponding to a given second-order reduced density matrix. Unlike conventional Kohn–Sham inversion methods in which such potentials are extracted from ground-state electron densities, the proposed technique delivers unambiguous results in finite basis sets. The approach can also be used to separate approximately the exchange and correlation potentials for a many-electron system for which the reduced density matrix is known. The algorithm is implemented for configuration-interaction wave functions and its performance is illustrated with numerical examples.

  16. Experience of the New York Mercantile Exchange

    International Nuclear Information System (INIS)

    Seetin, Mark; Palmer-Huggins, Denisse

    1999-01-01

    Future's markets are for governments and managers valuable tools a minute by minute window to the market place; you can see exactly what that market is at any time of the day. NYMEX represents virtually a 22 hour market place. We have an electronic trading system in place now in Sidney, Australia, in London, in Hong Kong and probably very soon there will be a couple of other locations that we will have our electronic trading systems. We are updating our electronic trading system in a join effort with the International Petroleum Exchange in London

  17. Electron paramagnetic resonance study of exchange coupled Ce.sup.3+./sup. ions in Lu.sub.2./sub.SiO.sub.5./sub. single crystal scintillator

    Czech Academy of Sciences Publication Activity Database

    Buryi, Maksym; Laguta, Valentyn; Rosa, Jan; Nikl, Martin

    2016-01-01

    Roč. 90, Jul (2016), s. 23-26 ISSN 1350-4487 R&D Projects: GA ČR GAP204/12/0805; GA MŠk(CZ) LM2011029; GA MŠk LO1409 Institutional support: RVO:68378271 Keywords : electron paramagnetic resonance * scintillators * lutetium oxyorthosilicate * exchange coupled ions * cerium ions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.442, year: 2016

  18. Observation of two-orbital spin-exchange interactions with ultracold SU(N)-symmetric fermions

    Science.gov (United States)

    Scazza, F.; Hofrichter, C.; Höfer, M.; de Groot, P. C.; Bloch, I.; Fölling, S.

    2014-10-01

    Spin-exchanging interactions govern the properties of strongly correlated electron systems such as many magnetic materials. When orbital degrees of freedom are present, spin exchange between different orbitals often dominates, leading to the Kondo effect, heavy fermion behaviour or magnetic ordering. Ultracold ytterbium or alkaline-earth ensembles have attracted much recent interest as model systems for these effects, with two (meta-) stable electronic configurations representing independent orbitals. We report the observation of spin-exchanging contact interactions in a two-orbital SU(N)-symmetric quantum gas realized with fermionic 173Yb. We find strong inter-orbital spin exchange by spectroscopic characterization of all interaction channels and demonstrate SU(N = 6) symmetry within our measurement precision. The spin-exchange process is also directly observed through the dynamic equilibration of spin imbalances between ensembles in separate orbitals. The realization of an SU(N)-symmetric two-orbital Hubbard Hamiltonian opens the route to quantum simulations with extended symmetries and with orbital magnetic interactions, such as the Kondo lattice model.

  19. Electron-capture ratios in radio-active decay

    International Nuclear Information System (INIS)

    Pelt, J. van.

    1978-01-01

    A review of the theory of electron capture is given and expressions for the electron-capture ratios derived. Attention is paid to the calculations of exchange and overlap correction factors. The theoretical results are then compared with experimental values on the basis of two recently published compilations. The experimental set-up used in this investigation is described and the analysis of the scintillation spectra discussed. Measurements on 131 Ba, 106 Agsup(m) and 196 Au are described and values derived for the exchange and overlap corrections and for the atomic electron-capture transition energy Qsub(EC). (Auth.)

  20. Mapping the influence of molecular structure on rates of electron transfer using direct measurements of the electron spin-spin exchange interaction.

    Science.gov (United States)

    Lukas, Aaron S; Bushard, Patrick J; Weiss, Emily A; Wasielewski, Michael R

    2003-04-02

    The spin-spin exchange interaction, 2J, in a radical ion pair produced by a photoinduced electron transfer reaction can provide a direct measure of the electronic coupling matrix element, V, for the subsequent charge recombination reaction. We have developed a series of dyad and triad donor-acceptor molecules in which 2J is measured directly as a function of incremental changes in their structures. In the dyads the chromophoric electron donors 4-(N-pyrrolidinyl)- and 4-(N-piperidinyl)naphthalene-1,8-dicarboximide, 5ANI and 6ANI, respectively, and a naphthalene-1,8:4,5-bis(dicarboximide) (NI) acceptor are linked to the meta positions of a phenyl spacer to yield 5ANI-Ph-NI and 6ANI-Ph-NI. In the triads the same structure is used, except that the piperidine in 6ANI is replaced by a piperazine in which a para-X-phenyl, where X = H, F, Cl, MeO, and Me(2)N, is attached to the N' nitrogen to form a para-X-aniline (XAn) donor to give XAn-6ANI-Ph-NI. Photoexcitation yields the respective 5ANI(+)-Ph-NI(-), 6ANI(+)-Ph-NI(-), and XAn(+)-6ANI-Ph-NI(-) singlet radical ion pair states, which undergo subsequent radical pair intersystem crossing followed by charge recombination to yield (3)NI. The radical ion pair distances within the dyads are about 11-12 A, whereas those in the triads are about approximately 16-19 A. The degree of delocalization of charge (and spin) density onto the aniline, and therefore the average distance between the radical ion pairs, is modulated by the para substituent. The (3)NI yields monitored spectroscopically exhibit resonances as a function of magnetic field, which directly yield 2J for the radical ion pairs. A plot of ln 2J versus r(DA), the distance between the centroids of the spin distributions of the two radicals that comprise the pair, yields a slope of -0.5 +/- 0.1. Since both 2J and k(CR), the rate of radical ion pair recombination, are directly proportional to V(2), the observed distance dependence of 2J shows directly that the recombination

  1. Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation

    Directory of Open Access Journals (Sweden)

    N. Vaeck

    2002-03-01

    Full Text Available We report the application of the quantum approach, which takes full account of electron translation at low collisional energies, to the charge exchange process H, D + C4+ → H+, D+ + C3+(3s; 3p; 3d. The partial and the total integral cross sections of the process are calculated in the energy range from 1 till 60 eV/amu. It is shown that the present results are independent from the upper integration limit for numerical solution of the coupled channel equations although nonadiabatic couplings remain nonzero up to infinity. The calculated partial and total cross sections are in agreement with the previous low-energy calculations and the available experimental data. It is shown that for low collisional energies the isotopic effect takes place. The observed effect is explained in terms of the nonadiabatic dynamics.

  2. Electronic Commerce

    Directory of Open Access Journals (Sweden)

    Slavko Đerić

    2016-12-01

    Full Text Available Electronic commerce can be defined in different ways. Any definition helps to understand and explain that concept as better as possible.. Electronic commerce is a set of procedures and technologies that automate the tasks of financial transactions using electronic means. Also, according to some authors, electronic commerce is defined as a new concept, which is being developed and which includes process of buying and selling or exchanging products, services or information via computer networks, including the Internet. Electronic commerce is not limited just to buying and selling, but it also includes all pre-sales and after-sales ongoing activities along the supply chain. Introducing electronic commerce, using the Internet and Web services in business, realizes the way to a completely new type of economy - internet economy.

  3. Electron-electron Thomas peak in fast transfer ionization

    International Nuclear Information System (INIS)

    Tolmanov, S. G.; McGuire, J. H.

    2000-01-01

    ''Thomas process'' is a name used for a family of singular two-step processes that can lead to electron transfer. The Thomas process of the ''second kind,'' occurring in reactions with both transfer and ionization, utilizes the e-e scattering in the second step, so this Thomas process requires the dynamics of the electron-electron interaction. We calculate numerically the second order element of an S matrix and corresponding cross sections for the transfer ionization process. We find that the position and shape of the Thomas peak depend on both electron-electron and the electron-nucleus interaction. Also the direct and exchange amplitudes are equal at the peak position. We test the peaking approximation used for transfer ionization. Our results can be compared to experimental results for p + +He→H+He 2+ +e - . (c) 2000 The American Physical Society

  4. Operating revenue changes in a demutualized stock exchange

    Directory of Open Access Journals (Sweden)

    Mohamed Hesham Abdel-Hafez

    2015-03-01

    Full Text Available Stock exchanges were traditionally run as cooperative venues. The globalization, the development of technology, and the increase of competition among stock exchanges forced these venues to change their structure and adopt a new one-demutualization- that can be a lifeline in facing these environmental changes in regards to stock exchanges. This new trend enables the exchange to expand their activities and supply the market with new products and services, therefore enhancing the value of the exchange itself. The main sources of revenue for traditional exchanges have been listing fees, transaction fees, membership fees and the sale of information services such as market data, quotations, and trade data. Due to the environmental changes the stock exchanges' services are now executed electronically, and in turn, this has led to an increase in the competition among exchanges. Furthermore, this increased competition has led to the re-adjustment of the regulation structure which gradually erodes the sources of revenues provided by the conventional stock exchanges. The paper divided the research plan into two sections: the first section is to highlight the concept of demutualization process; the phases of demutualization, the factors that push the stock exchanges to demutualize and the benefits of demutualization. The second section was based on statistical comparative analysis of the stock exchanges' revenues prior and after demutualization. The researcher used the regression analysis tool on seven demutualized stock exchanges during the period from 1997-2012. The paper aims to prove that demutualization has a positive effect on the revenues of the stock exchange, thus it enhances the value of the exchange.

  5. Relativistic one-boson-exchange model and elastic electron-deuteron scattering at high momentum transfer

    International Nuclear Information System (INIS)

    Hummel, E.; Tjon, J.A.

    1989-01-01

    Using the one-boson-exchange model a relativistic covariant analysis is carried out of the elastic electromagnetic form factors of the deuteron including the ρπγ and ωεγ mesonic-exchange-current contributions. The theoretical predictions are compared with the recent experimental data at high momentum transfer

  6. Formation of silver colloids on ion exchanged soda lime silicate glasses by irradiation

    International Nuclear Information System (INIS)

    Yoshimura, E.M.; Okuno, E.

    1998-01-01

    The effect of ionizing radiation (gamma rays, X-rays and electrons) on soda lime silicate glasses, in which part of the Na + was substituted by Ag + by means of an ionic exchange process, was studied. The techniques of thermally stimulated depolarization current (TSDC) and transmission electron microscopy (TEM) were employed to follow the formation of silver colloids by irradiation. Also the thermoluminescence (TL) of the samples was measured and three peaks between room temperature and 450 C were observed. The TEM and TSDC results agree that, as expected, ionizing radiation promotes the formation of silver colloids on the ion exchanged surface of soda lime glasses. Soft X-rays are much more efficient in the process than gamma rays and electrons. The correlation with thermoluminescence glow curves indicates that the intensity of a TL peak at 230 C can provide a rapid means of evaluating the presence of silver colloids. TL sensitivities, measured as area under the glow curve per unit mass and unit dose, are very similar for ion exchanged and not exchanged samples submitted to X-ray irradiation, although the peak temperatures differ in about 40 C in the two cases. For both electron and gamma irradiated samples, the TL sensitivity drops about an order of magnitude when compared to the X-ray irradiated ones. (orig.)

  7. Anisotropic exchange interaction for magnetic ion pairs in insulators

    International Nuclear Information System (INIS)

    Passeggi, M.C.G.

    1975-12-01

    The sources of possible contributions to the magnetic anisotropy for a pair of orbitally non degenerate magnetic ions are investigated. The problem being formulated with the help of the operator form of perturbation theory and irreducible tensor operators. Apart from the usual dipole-dipole effective interaction, mainly induced by the electronic spin-spin dipole coupling corrected by covalency, other mechanisms mediated by the spin-orbit coupling appear. These are a consequence of an appropriate description of the spin-orbit operators for a system which allows for delocalization of the magnetic electrons. A process similar to that known as pseudodipolar appears from contributions in which spin orbit combined with the Coulomb repulsion and with one-electron interactions (acting analogously as for the ''kinetic exchange'') produce compensating effects in third and fourth order, respectively. However, this effect does not appear to be describable in terms of the phenomenological exchange, as is usually assumed. (Passeggi, M.C.G.)

  8. Incommensurate Spiral Order from Double-Exchange Interactions

    NARCIS (Netherlands)

    Azhar, Maria; Mostovoy, Maxim

    2017-01-01

    The double-exchange model describing interactions of itinerant electrons with localized spins is usually used to explain ferromagnetism in metals. We show that for a variety of crystal lattices of different dimensionalities and for a wide range of model parameters, the ferromagnetic state is

  9. Two electron Rydberg states

    International Nuclear Information System (INIS)

    Cooke, W.E.

    1981-01-01

    This paper addresses the study of two-electron Rydberg atoms. With Multichannel Quantum Defect Theory (MQDT), there is a technique for characterizing a spectra in terms of a small number of parameters. A survey of some important effects specific to two-electon Rydberg states, using primarily the alkaline earth atoms for examples, is made. The remainder of the paper deals with a discussion of the electron-electron interaction, including some of the basic points of MQDT. Energy exchange between two electrons is also addressed

  10. Quantum dust magnetosonic waves with spin and exchange correlation effects

    Energy Technology Data Exchange (ETDEWEB)

    Maroof, R.; Qamar, A. [Department of Physics, University of Peshawar, Peshawar 25000 (Pakistan); Mushtaq, A. [Department of Physics, Abdul Wali Khan University, Mardan 23200 (Pakistan); National Center for Physics, Shahdra Valley Road, Islamabad 44000 (Pakistan)

    2016-01-15

    Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.)

  11. Quantum dust magnetosonic waves with spin and exchange correlation effects

    Science.gov (United States)

    Maroof, R.; Mushtaq, A.; Qamar, A.

    2016-01-01

    Dust magnetosonic waves are studied in degenerate dusty plasmas with spin and exchange correlation effects. Using the fluid equations of magnetoplasma with quantum corrections due to the Bohm potential, temperature degeneracy, spin magnetization energy, and exchange correlation, a generalized dispersion relation is derived. Spin effects are incorporated via spin force and macroscopic spin magnetization current. The exchange-correlation potentials are used, based on the adiabatic local-density approximation, and can be described as a function of the electron density. For three different values of angle, the dispersion relation is reduced to three different modes under the low frequency magnetohydrodynamic assumptions. It is found that the effects of quantum corrections in the presence of dust concentration significantly modify the dispersive properties of these modes. The results are useful for understanding numerous collective phenomena in quantum plasmas, such as those in compact astrophysical objects (e.g., the cores of white dwarf stars and giant planets) and in plasma-assisted nanotechnology (e.g., quantum diodes, quantum free-electron lasers, etc.).

  12. 78 FR 21642 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Order Granting...

    Science.gov (United States)

    2013-04-11

    ..., the Exchange provided rationale for terminating the HAL auction early and cancelling of the market... proposes to modify Exchange Rule 6.14A, ``Hybrid Agency Liaison (``HAL''). This functionality provides... bid or offer (``BBO''),\\28\\ HAL electronically exposes the order \\29\\ at the NBBO price to allow...

  13. 75 FR 8156 - Electronic Game Card, Inc.; Order of Suspension of Trading

    Science.gov (United States)

    2010-02-23

    ... SECURITIES AND EXCHANGE COMMISSION [File No. 500-1] Electronic Game Card, Inc.; Order of Suspension of Trading February 19, 2010. It appears to the Securities and Exchange Commission that there is a lack of current and accurate information concerning the securities of Electronic Game Card, Inc...

  14. Charge exchange in collisions of beryllium with its ion.

    Science.gov (United States)

    Zhang, Peng; Dalgarno, Alexander; Côté, Robin; Bodo, Enrico

    2011-11-14

    Close-coupling calculations of the resonance and near resonance charge exchange in ion-atom collisions of Be at low and intermediate energies are presented. Accurate ab initio calculations are carried out of the Born-Oppenheimer potentials and the non-adiabatic couplings that are due to the finite nuclear masses and drive the near resonance charge exchange. We show that the near resonance charge exchange cross section follows Wigner's threshold law of inelastic processes for energies below 10(-8) eV and that the zero temperature rate constant for it is 4.5 × 10(-10) cm(3) s(-1). At collision energies much larger than the isotope shift of the ionization potentials of the atoms, we show that the near resonance charge exchange process is equivalent to the resonance charge exchange with cross sections having a logarithmic dependence. We also investigate the perturbation to the charge exchange process due to the non-adiabatic interaction to an electronic excited state. We show that the influence is negligible at low temperatures and still small at intermediate energies despite the presence of resonances.

  15. Charge exchange in ion-atom collisions

    International Nuclear Information System (INIS)

    Bransden, B.H.

    1990-01-01

    Charge exchange reactions in which electrons are transferred from one ion (or atom) to another during a collision have been studied both as interesting examples of rearrangement collisions and because of important applications in plasma physics. This article reviews the modern theory developed for use at non-relativistic energies, but excluding the thermal and very low energy region. (author)

  16. Charge-exchange collisions of multiply charged ions with atoms

    International Nuclear Information System (INIS)

    Grozdanov, T.P.; Janev, R.K.

    1978-01-01

    The problem of electron transfer between neutral atoms and multiply charged ions is considered at low and medium energies. It is assumed that a large number of final states are available for the electron transition so that the electron-capture process is treated as a tunnel effect caused by the strong attractive Coulomb field of the multicharged ions. The electron transition probability is obtained in a closed form using the modified-comparison-equation method to solve the Schroedinger equation. An approximately linear dependence of the one-electron transfer cross section on the charge of multicharged ion is found. Cross-section calculations of a number of charge-exchange reactions are performed

  17. Energy loss and charge exchange processes of high energy heavy ions channeled in crystals

    International Nuclear Information System (INIS)

    Poizat, J.C.; Andriamonje, S.; Anne, R.; Faria, N.V.d.C.; Chevallier, M.; Cohen, C.; Dural, J.; Farizon-Mazuy, B.; Gaillard, M.J.; Genre, R.; Hage-Ali, M.; Kirsch, R.; L'hoir, A.; Mory, J.; Moulin, J.; Quere, Y.; Remillieux, J.; Schmaus, D.; Toulemonde, M.

    1990-01-01

    The interaction of moving ions with single crystals is very sensitive to the orientation of the incident beam with respect to the crystalline directions of the target. Our experiments show that high energy heavy ion channeling deeply modifies their slowing down and charge exchange processes. This is due to the fact that channeled ions interact only with outershell target electrons, which means that the electron density they experience is very low and that the binding energy, and then the momentum distribution of these electrons, are quite different from the corresponding average values associated to random incidence. The two experimental studies presented here show the reduction of the energy loss rate for fast channeled heavy ions and illustrate the two aspects of channeling effects on charge exchange, the reduction of electron loss on one hand, and of electron capture on the other hand

  18. Meson exchange and neutral weak currents

    Energy Technology Data Exchange (ETDEWEB)

    Beck, D.H. [Univ. of Illinois, Urbana, IL (United States)

    1994-04-01

    Measurements of parity-violating electron scattering asymmetries to determine weak neutral currents in nuclei will be effected by the presence of meson exchange currents. Present low momentum transfer calculations, based on a flavor independent framework, show these effects to be small. In general, however, as the momentum transfer increases to values typical of deep-inelastic scattering, fragmentation functions show a clear flavor dependence. It is suggested that a good experimental starting point for understanding the flavor dependence of meson production and exchange currents is the Q{sup 2} dependence of parity-violating asymmetry in inclusive single pion electroproduction. A CEBAF facility with doubled energy is necessary to approach momentum transfers where this process begins to scale.

  19. Radiation deterioration of ion-exchange Nafion N117CS membranes

    International Nuclear Information System (INIS)

    Iwai, Yasunori; Hiroki, Akihiro; Tamada, Masao; Isobe, Kanetsugu; Yamanishi, Toshihiko

    2010-01-01

    The cation-exchange Nafion N117 membranes swelling in electrolyte solution were irradiated with γ-rays or electron beams at various doses up to 1500 kGy in the temperature range from room temperature to 343 K to obtain detailed information on the effect of ion-exchange on the radiation deterioration in mechanical properties and ion-exchange capacity. Considerable deterioration in mechanical properties was observed when the Nafion membranes swelling in electrolyte solution were irradiated. A reason is the promotion of degradation with oxygen molecules produced by the irradiation of electrolyte solution. The concentration of electrolyte solution influenced strongly the radiation deterioration in mechanical properties. Keeping the concentration of metal ions to be negligible is important when electrolyzed highly radioactive solution in the light of the durability of polyperfluorosulfonic acid (PFSA) membrane. A sort of cation in electrolyte solution negligibly influenced radiation deterioration in mechanical properties. A sort of anion in electrolyte solution had negligible effect on radiation deterioration in mechanical properties and ion-exchange capacity. The discrepancy in the radiation deterioration in mechanical properties of Nafion membranes swelling in NaCl solution was observed between the specimens irradiated with γ-rays and electron beams. This discrepancy can be explained from the low diffusivity of oxygen from bulk into the membrane.

  20. Inhomogeneity induced and appropriately parameterized semilocal exchange and correlation energy functionals in two-dimensions

    Science.gov (United States)

    Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

    2018-04-01

    The construction of meta generalized gradient approximations based on the density matrix expansion (DME) is considered as one of the most accurate techniques to design semilocal exchange energy functionals in two-dimensional density functional formalism. The exchange holes modeled using DME possess unique features that make it a superior entity. Parameterized semilocal exchange energy functionals based on the DME are proposed. The use of different forms of the momentum and flexible parameters is to subsume the non-uniform effects of the density in the newly constructed semilocal functionals. In addition to the exchange functionals, a suitable correlation functional is also constructed by working upon the local correlation functional developed for 2D homogeneous electron gas. The non-local effects are induced into the correlation functional by a parametric form of one of the newly constructed exchange energy functionals. The proposed functionals are applied to the parabolic quantum dots with a varying number of confined electrons and the confinement strength. The results obtained with the aforementioned functionals are quite satisfactory, which indicates why these are suitable for two-dimensional quantum systems.

  1. Two-Photon Exchange Effects in Elastic Electron-Proton Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Myriam James [Argonne National Lab. (ANL), Argonne, IL (United States)

    2013-08-01

    Two methods, Rosenbluth separation and polarization transfer, can be used to extract the proton form factor ratio μp GEp/GMp, but they do not yield the same results. It is thought that the disagreement is due to two photon exchange corrections to the differential cross sections. High precision proton Rosenbluth extractions were carried out at 102 kinematics points spanning 16 values of momentum transfer Q2, from 0.40 to 5.76 GeV2. Reduced cross sections were found to 1.1% or better for Q2 less than 3 GeV2 increasing to 4% at 5.76 GeV2 The form factor ratios were determined to 1:5-3% for Q2 < 1.5 GeV2, increasing to 9% by 3 GeV2 and rapidly above. Our data agrees with prior Rosenbluth, improving upon it the 1.0 - 2.0 GeV2 range to conclusively show a separation from polarization transfer where it had not been certain before. In addition, reduced cross sections at each Q2 were tested for nonlinearity in the angular variable. Such a departure from linearity would be a signature of two photon exchange effects, and prior data had not been sufficiently precise to show nonzero curvature. Our data begins to hint at negative curvature but does not yet show a significant departure from zero.

  2. Cation exchange properties of zeolites in hyper alkaline aqueous media.

    Science.gov (United States)

    Van Tendeloo, Leen; de Blochouse, Benny; Dom, Dirk; Vancluysen, Jacqueline; Snellings, Ruben; Martens, Johan A; Kirschhock, Christine E A; Maes, André; Breynaert, Eric

    2015-02-03

    Construction of multibarrier concrete based waste disposal sites and management of alkaline mine drainage water requires cation exchangers combining excellent sorption properties with a high stability and predictable performance in hyper alkaline media. Though highly selective organic cation exchange resins have been developed for most pollutants, they can serve as a growth medium for bacterial proliferation, impairing their long-term stability and introducing unpredictable parameters into the evolution of the system. Zeolites represent a family of inorganic cation exchangers, which naturally occur in hyper alkaline conditions and cannot serve as an electron donor or carbon source for microbial proliferation. Despite their successful application as industrial cation exchangers under near neutral conditions, their performance in hyper alkaline, saline water remains highly undocumented. Using Cs(+) as a benchmark element, this study aims to assess the long-term cation exchange performance of zeolites in concrete derived aqueous solutions. Comparison of their exchange properties in alkaline media with data obtained in near neutral solutions demonstrated that the cation exchange selectivity remains unaffected by the increased hydroxyl concentration; the cation exchange capacity did however show an unexpected increase in hyper alkaline media.

  3. Comparison of Methods for Computing the Exchange Energy of quantum helium and hydrogen

    International Nuclear Information System (INIS)

    Cayao, J. L. C. D.

    2009-01-01

    I investigate approach methods to find the exchange energy for quantum helium and hydrogen. I focus on Heitler-London, Hund-Mullikan, Molecular Orbital and variational approach methods. I use Fock-Darwin states centered at the potential minima as the single electron wavefunctions. Using these we build Slater determinants as the basis for the two electron problem. I do a comparison of methods for two electron double dot (quantum hydrogen) and for two electron single dot (quantum helium) in zero and finite magnetic field. I show that the variational, Hund-Mullikan and Heitler-London methods are in agreement with the exact solutions. Also I show that the exchange energy calculation by Heitler-London (HL) method is an excellent approximation for large inter dot distances and for single dot in magnetic field is an excellent approximation the Variational method. (author)

  4. Barrier versus tilt exchange gate operations in spin-based quantum computing

    Science.gov (United States)

    Shim, Yun-Pil; Tahan, Charles

    2018-04-01

    We present a theory for understanding the exchange interaction between electron spins in neighboring quantum dots, either by changing the detuning of the two quantum dots or independently tuning the tunneling barrier between quantum dots. The Hubbard model and a more realistic confining-potential model are used to investigate how the tilting and barrier control affect the effective exchange coupling and thus the gate fidelity in both the detuning and symmetric regimes. We show that the exchange coupling is less sensitive to the charge noise through tunnel barrier control (while allowing for exchange coupling operations on a sweet spot where the exchange interaction has zero derivative with respect to the detuning). Both GaAs and Si quantum dots are considered, and we compare our results with experimental data showing qualitative agreements. Our results answer the open question of why barrier gates are preferable to tilt gates for exchange-based gate operations.

  5. Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

    International Nuclear Information System (INIS)

    Umino, Satoru; Takahashi, Hideaki; Morita, Akihiro

    2016-01-01

    In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E ex between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E ex on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ ex from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

  6. Where do Electronic Markets Come From?

    DEFF Research Database (Denmark)

    Castelle, Michael; Millo, Yuval; Beunza, Daniel

    2016-01-01

    of automated markets was produced through an interweaving of both technological and political change. This processual redefinition of the ‘exchange’, in addition, may provide a suggestive precedent for understanding contemporary regulatory crises generated by other digital marketplace platforms.......The practices of high-frequency trading (HFT) are dependent on automated financial markets, especially those produced by securities exchanges electronically interconnected with competing exchanges. How did this infrastructural and organizational state of affairs come to be? Employing the conceptual...... distinction between fixed-role and switch-role markets, we analyse the discourse surrounding the design and eventual approval of the Securities and Exchange Commission’s Regulation of Exchanges and Alternative Trading Systems (Reg ATS). We find that the disruption of the exchange industry at the hands...

  7. Cables, Sharks and Servers: Technology and the Geography of the Foreign Exchange Market

    OpenAIRE

    Eichengreen, Barry; Lafarguette, Romain; Mehl, Arnaud

    2016-01-01

    We analyze the impact of technology on production and trade in services, focusing on the foreign exchange market. We identify exogenous technological changes by the connection of countries to submarine fiber-optic cables used for electronic trading, but which were not laid for purposes related to the foreign exchange market. We estimate the impact of cable connections on the share of offshore foreign exchange transactions. Cable connections between local markets and matching servers in the ma...

  8. A First Standardized Swiss Electronic Maternity Record.

    Science.gov (United States)

    Murbach, Michel; Martin, Sabine; Denecke, Kerstin; Nüssli, Stephan

    2017-01-01

    During the nine months of pregnancy, women have to regularly visit several physicians for continuous monitoring of the health and development of the fetus and mother. Comprehensive examination results of different types are generated in this process; documentation and data transmission standards are still unavailable or not in use. Relevant information is collected in a paper-based maternity record carried by the pregnant women. To improve availability and transmission of data, we aim at developing a first prototype for an electronic maternity record for Switzerland. By analyzing the documentation workflow during pregnancy, we determined a maternity record data set. Further, we collected requirements towards a digital maternity record. As data exchange format, the Swiss specific exchange format SMEEX (swiss medical data exchange) was exploited. Feedback from 27 potential users was collected to identify further improvements. The relevant data is extracted from the primary care information system as SMEEX file, stored in a database and made available in a web and a mobile application, developed as prototypes of an electronic maternity record. The user confirmed the usefulness of the system and provided multiple suggestions for an extension. An electronical maternity record as developed in this work could be in future linked to the electronic patient record.

  9. Design of a tensor polarized deuterium target polarized by spin-exchange with optically pumped NA

    International Nuclear Information System (INIS)

    Green, M.C.

    1984-01-01

    A proposed design for a tensor polarized deuterium target (approx. 10 15 atoms/cm 2 ) for nuclear physics studies in an electron storage ring accelerator is presented. The deuterium atoms undergo electron spin exchange with a highly polarized sodium vapor; this polarization is transferred to the deuterium nuclei via the hyperfine interaction. The deuterium nuclei obtain their tensor polarization through repeated electron spin exchange/hyperfine interactions. The sodium vapor polarization is maintained by standard optical pumping techniques. Model calculations are presented in detail leading to a discussion of the expected performance and the technical obstacles to be surmounted in the development of such a target

  10. Design of a tensor polarized deuterium target polarized by spin-exchange with optically pumped NA

    International Nuclear Information System (INIS)

    Green, M.C.

    1984-05-01

    A proposed design for a tensor polarized deuterium target (approx. 10 15 atoms/cm 2 ) for nuclear physics studies in an electron storage ring accelerator is presented. The deuterium atoms undergo electron spin exchange with a highly polarized sodium vapor; this polarization is transferred to the deuterium nuclei via the hyperfine interaction. The deuterium nuclei obtain their tensor polarization through repeated electron spin exchange/hyperfine interactions. The sodium vapor polarization is maintained by standard optical pumping techniques. Model calculations are presented in detail leading to a discussion of the expected performance and the technical obstacles to be surmounted in the development of such a target. 15 references, 10 figures

  11. Exchange energy in the local Airy gas approximation

    DEFF Research Database (Denmark)

    Vitos, Levente; Johansson, B.; Kollár, J.

    2000-01-01

    The Airy gas model of the edge electron gas is used to construct an exchange-energy functional that is an alternative to those obtained in the local-density and generalized-gradient approximations. Test calculations for rare-gas atoms, molecules, solids, and surfaces show that the Airy gas...

  12. Deep-inelastic electron-proton diffraction

    International Nuclear Information System (INIS)

    Dainton, J.B.

    1995-11-01

    Recent measurements by the H1 collaboration at HERA of the cross section for deep-inelastic electron-proton scattering in which the proton interacts with minimal energy transfer and limited 4-momentum transfer squared are presented in the form of the contribution F 2 D(3) to the proton structure function F 2 . By parametrising the cross section phenomenologically in terms of a leading effective Regge pole exchange and comparing the result with a similar parametrisation of hadronic pp physics, the proton interaction is demonstrated to be dominantly of a diffractive nature. The quantitative interpretation of the parametrisation in terms of the properties of an effective leading Regge pole exchange, the pomeron (IP), shows that there is no evidence for a 'harder' BFKL-motivated IP in such deep-inelastic proton diffraction. The total contribution of proton diffraction to deep-inelastic electron-proton scattering is measured to be ∝10% and to be rather insensitive to Bjorken-x and Q 2 . A first measurement of the partonic structure of diffractive exchange is presented. It is shown to be readily interpreted in terms of the exchange of gluons, and to suggest that the bulk of diffractive momentum transfer is carried by a leading gluon. (orig.)

  13. Ionization and charge exchange in atom collision with multicharged ion

    International Nuclear Information System (INIS)

    Presnyakov, L.P.; Uskov, D.B.

    1984-01-01

    Single-electron ionization and charge exchange are considered in collisions of an atom with an ion of charge Z> or =3 and at velocities v>Z -1 /sup // 3 . The approach is based on the Keldysh quasiclassical method. The ionization and charge exchange processes are described within the framework of a single formalism. Effects of rotation and translation are taken into account. The calculated total and partial cross sections agree well with the available experimental data. OFF

  14. Kinetics of ethylenediaminetetraacetate exchange of americium (3) with copper (2) in aqueous solution

    International Nuclear Information System (INIS)

    Nikitenko, S.I.; Martynenko, L.I.; Pechurova, N.I.

    1985-01-01

    By the method of spectrophotometry exchange kinetics in the AmA - -Cu 2+ , where A 4- -ethylenediaminetetraacetate, is studied. The values of exchange rate constants and thermodynamic activation parameters have been found. It is shown that exchange of central ions is rialized according to the dissociative mechanism with formation of intermediate protonated complexes and according to the associative mechanism with formation of binuclear intermediates. The exchange mechanisms identity for AmA - and LnA - , where Ln 3+ -RE cations of cerium subgroup is proved. It is assumed that values of activation entropy in exchange processes are determined by the radius of the leaving cation and of activation enthalpy - by the peculiarities of the electronic structure

  15. Fibrinogen Reduction During Selective Plasma Exchange due to Membrane Fouling.

    Science.gov (United States)

    Ohkubo, Atsushi; Okado, Tomokazu; Miyamoto, Satoko; Hashimoto, Yurie; Komori, Shigeto; Yamamoto, Motoki; Maeda, Takuma; Itagaki, Ayako; Yamamoto, Hiroko; Seshima, Hiroshi; Kurashima, Naoki; Iimori, Soichiro; Naito, Shotaro; Sohara, Eisei; Uchida, Shinichi; Rai, Tatemitsu

    2017-06-01

    Fibrinogen is substantially reduced by most plasmapheresis modalities but retained in selective plasma exchange using Evacure EC-4A10 (EC-4A). Although EC-4A's fibrinogen sieving coefficient is 0, a session of selective plasma exchange reduced fibrinogen by approximately 19%. Here, we investigated sieving coefficient in five patients. When the mean processed plasma volume was 1.15 × plasma volume, the mean reduction of fibrinogen during selective plasma exchange was approximately 15%. Fibrinogen sieving coefficient was 0 when the processed plasma volume was 1.0 L, increasing to 0.07 when the processed plasma volume was 3.0 L, with a mean of 0.03 during selective plasma exchange. When fibrinogen sieving coefficient was 0, selective plasma exchange reduced fibrinogen by approximately 10%. Scanning electron microscopy images revealed internal fouling of EC-4A's hollow fiber membrane by substances such as fibrinogen fibrils. Thus, fibrinogen reduction by selective plasma exchange may be predominantly caused by membrane fouling rather than filtration. © 2017 International Society for Apheresis, Japanese Society for Apheresis, and Japanese Society for Dialysis Therapy.

  16. Improved price transparency : how electronic trading is affecting natural gas prices

    International Nuclear Information System (INIS)

    Gault, G.

    2002-01-01

    New electronic trading platforms can be categorized as: (1) proprietary or marketplace systems owned by the market maker or liquidity provider, (2) matching systems for brokerage systems where counter parties are matched and electronically executed through bilateral trading agreements, and (3) cleared exchanges which have traditional characteristics such as neutrality, anonymity, and clearing. The Calgary-based Natural Gas Exchange (NGX) is an independent electronic energy exchange. It is owned by OM in Stockholm, Sweden and operates under an order from the Alberta Securities Commission. Its main objective is to provide electronic energy trading and clearing services to participants in the the North American energy market. NGX has transacted more than 270,000 trades with zero default. The services at NGX include: centralized and anonymous electronic trading; centralized risk management and netting; centralized collateral management; transaction facilitation; pipeline title transfer coordination; and, real time price index generation. This paper described the impact of the many different types of trading platforms on liquidity and volatility in the marketplace. It also addresses the future of online energy trading and their respective platforms. Supply and demand of natural gas, storage, and weather are the basic market fundamentals, but trading platforms have an impact of volatility of natural gas because of market fragmentation, transparency, and market systems. As online energy exchanges evolve, we will see a consolidation of online energy exchanges that will thin a shrinking pool of players, and appropriately capitalized and centralized clearinghouses will become the backbone of all major online energy trading operations

  17. Meson exchange currents and two neutrino double beta decay

    International Nuclear Information System (INIS)

    Simkovic, F.

    1995-01-01

    By using a field theory approach a detailed analysis of the two neutrino double beta decay amplitude has been performed. We have shown that the summation over the intermediate nuclear states in the present two neutrino double beta decay studies corresponds to a summation over a class of meson exchange diagrams. We offer some arguments showing that the two nucleon mechanism considered at present does not provide the main contribution to the two neutrino double beta decay amplitude. A new electron-gamma exchange mechanism for this process is suggested. 31 refs., 1 fig

  18. EIC Electron Beam Polarimetry Workshop Summary

    International Nuclear Information System (INIS)

    Lorenzon, W.

    2008-01-01

    A summary of the Precision Electron Beam Polarimetry Workshop for a future Electron Ion Collider (EIC) is presented. The workshop was hosted by the University of Michigan Physics Department in Ann Arbor on August 23-24, 2007 with the goal to explore and study the electron beam polarimetry issues associated with the EIC to achieve sub-1% precision in polarization determination. Ideas are being presented that were exchanged among experts in electron polarimetry and source and accelerator design to examine existing and novel electron beam polarization measurement schemes

  19. Heat pipes in modern heat exchangers

    International Nuclear Information System (INIS)

    Vasiliev, Leonard L.

    2005-01-01

    Heat pipes are very flexible systems with regard to effective thermal control. They can easily be implemented as heat exchangers inside sorption and vapour-compression heat pumps, refrigerators and other types of heat transfer devices. Their heat transfer coefficient in the evaporator and condenser zones is 10 3 -10 5 W/m 2 K, heat pipe thermal resistance is 0.01-0.03 K/W, therefore leading to smaller area and mass of heat exchangers. Miniature and micro heat pipes are welcomed for electronic components cooling and space two-phase thermal control systems. Loop heat pipes, pulsating heat pipes and sorption heat pipes are the novelty for modern heat exchangers. Heat pipe air preheaters are used in thermal power plants to preheat the secondary-primary air required for combustion of fuel in the boiler using the energy available in exhaust gases. Heat pipe solar collectors are promising for domestic use. This paper reviews mainly heat pipe developments in the Former Soviet Union Countries. Some new results obtained in USA and Europe are also included

  20. Quantum electron transfer processes induced by thermo-coherent ...

    Indian Academy of Sciences (India)

    WINTEC

    Thermo-coherent state; electron transfer; quantum rate. 1. Introduction. The study ... two surfaces,16 namely, one electron two-centered exchange problem,7–10 many ... temperature classical regime for the single and the two-mode cases have ...

  1. Building the DAML Electronic Commerce Domain

    National Research Council Canada - National Science Library

    Anyiwo, David

    2001-01-01

    The project captured additional functional and technical requirements for collaboration and exchange in the electronics industry's value chain, and refined the eCommerce domain ontology requirements...

  2. Recoil chemistry and solid state exchange in cobalt complexes : a new model

    International Nuclear Information System (INIS)

    Ramshesh, V.

    1981-01-01

    During the last thirty years considerable work has been done on various aspects of recoil chemistry and solid state exchange in cobalt complexes. Several interesting features such as 'oxygen effect', 'water of hydration effect', 'dilution with isomorphous materials', etc., have been observed. These data led workers to reject the older hypothesis based on 'fragmentation' and 'recombination' and suggest models based on exciton or electron induced exchange. However some recent data show that perhaps both the processes viz., thermal annealing in n-irradiated systems and solid state exchange are not bulk processes. This has led the author to propose a new model. In this model greater emphasis is placed on dissociation reactions followed by recombination and/or exchange reactions. (author)

  3. Time-dependent exchange and tunneling: detection at the same place of two electrons emitted simultaneously from different sources

    International Nuclear Information System (INIS)

    Marian, D; Colomés, E; Oriols, X

    2015-01-01

    Two-particle scattering probabilities in tunneling scenarios with exchange interaction are analyzed with quasi-particle wave packets. Two initial one-particle wave packets (with opposite central momentums) are spatially localized at each side of a barrier. After impinging upon a tunneling barrier, each wave packet splits into transmitted and reflected components. When the initial two-particle anti-symmetrical state is defined as a Slater determinant of any type of (normalizable) one-particle wave packet, it is shown that the probability of detecting two (identically injected) electrons at the same side of the barrier is different from zero in very common (single or double barrier) scenarios. In some particular scenarios, the transmitted and reflected components become orthogonal and the mentioned probabilities reproduce those values associated to distinguishable particles. These unexpected non-zero probabilities are still present when non-separable Coulomb interaction or non-symmetrical potentials are considered. On the other hand, for initial wave packets close to Hamiltonian eigenstates, the usual zero two-particle probability for electrons at the same side of the barrier found in the literature is recovered. The generalization to many-particle scattering probabilities with quasi-particle wave packets for low and high phase-space density are also analyzed. The far-reaching consequences of these non-zero probabilities in the accurate evaluation of quantum noise in mesoscopic systems are briefly indicated. (paper)

  4. Electron-electron interaction in Multiple Quantum Wells

    Science.gov (United States)

    Zybert, M.; Marchewka, M.; Tomaka, G.; Sheregii, E. M.

    2012-07-01

    The complex investigation of the magneto-transport effects in structures containing multiple quantum well (MQWs) based on the GaAs/AlGaAs-heterostructures has been performed. The MQWs investigated have different electron densities in QWs. The parameters of 2DEG in MQWs were determined from the data of the Integer Quantum Hall Effect (IQHE) and Shubnikov-de Haas oscillations (SdH) observed at low temperatures (0.6-4.2 K). The method of calculation of the electron states energies in MQWs has been developed which is based on the splitting of these states due to the exchange interaction (SAS-splitting, see D. Płoch et al., Phys. Rev. B 79 (2009) 195434) including the screening of this interaction. The IQHE and SdH observed in these multilayer structures with the third degree of freedom for electrons are interpreted from this.

  5. Condensed phase QM/MM simulations utilizing the exchange core functions to describe exchange repulsions at the QM boundary region

    Energy Technology Data Exchange (ETDEWEB)

    Umino, Satoru; Takahashi, Hideaki, E-mail: hideaki@m.tohoku.ac.jp; Morita, Akihiro [Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Miyagi 980-8578 (Japan)

    2016-08-28

    In a recent work, we developed a method [H. Takahashi et al., J. Chem. Phys. 143, 084104 (2015)] referred to as exchange-core function (ECF) approach, to compute exchange repulsion E{sub ex} between solute and solvent in the framework of the quantum mechanical (QM)/molecular mechanical (MM) method. The ECF, represented with a Slater function, plays an essential role in determining E{sub ex} on the basis of the overlap model. In the work of Takahashi et al. [J. Chem. Phys. 143, 084104 (2015)], it was demonstrated that our approach is successful in computing the hydrogen bond energies of minimal QM/MM systems including a cationic QM solute. We provide in this paper the extension of the ECF approach to the free energy calculation in condensed phase QM/MM systems by combining the ECF and the QM/MM-ER approach [H. Takahashi et al., J. Chem. Phys. 121, 3989 (2004)]. By virtue of the theory of solutions in energy representation, the free energy contribution δμ{sub ex} from the exchange repulsion was naturally formulated. We found that the ECF approach in combination with QM/MM-ER gives a substantial improvement on the calculation of the hydration free energy of a hydronium ion. This can be attributed to the fact that the ECF reasonably realizes the contraction of the electron density of the cation due to the deficit of an electron.

  6. Strain effects on the electronic structure of ZnSnP{sub 2} via modified Becke–Johnson exchange potential

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Ying, E-mail: yingxuy@126.com [School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201 (China); Ao, Zhi Min [Centre for Clean Energy Technology, School of Chemistry and Forensic Science, University of Technology Sydney, PO Box 123, Broadway, Sydney, NSW 2007 (Australia); Zou, Dai Feng; Nie, Guo Zheng; Sheng, Wei [School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201 (China); Yuan, Ding Wang [College of Materials Science and Engineering, Hunan University, ChangSha 410082 (China)

    2015-02-20

    ZnSnP{sub 2} is a promising photovoltaic absorber material with a direct band gap of 1.68 eV, further reducing the band gap of ZnSnP{sub 2} that can achieve higher photovoltaic conversion efficiency. To achieve this target, the influence of biaxial in-plane strain (±3%) on the band gap, hole effective mass and optical properties of ZnSnP{sub 2} were investigated by first-principles calculations via Modified Becke–Johnson exchange potential. The results indicate that the biaxial tensile strain can reduce the band gap of ZnSnP{sub 2} from 1.3 eV to 1.0 eV and enhance the absorption of visible light of c-axis direction, while the biaxial compress strain increases the band gap of ZnSnP{sub 2} slightly. This research provides an alternative approach to tune the band gap of ZnSnP{sub 2} by strains. The variation of the band gap under different strains is determined by the highest-energy valance band state, and it can be explained by the redistribution of electrons under different strain. - Highlights: • The influence of biaxial in-plane strain (±3%) on the band gap of ZnSnP{sub 2} were investigated by DFT calculations. • MBJ exchange potential can describe the band structure of ZnSnP{sub 2} quite well. • Tensile strain brings a substantial decrease of the band gap, while the compress strain has no evident effect. • The calculated visible light adsorption coefficient increases along c-axis direction under tensile strain.

  7. Inorganic ion exchangers in industrial and nuclear waste treatment

    International Nuclear Information System (INIS)

    Manosso, Helena C.; Forbicini, Christina A.L.G.O.

    2000-01-01

    Zirconium and titanium phosphates have been used as inorganic ion exchangers for many years. Their characteristics, as high exchange capacity and ionizing and oxidizing reagents resistance, among others, have made them suitable for the treatment of wastes, mostly the radioactive ones. Due to its granulometry, zirconium phosphate (Zr P) must be prepared on an inert support, or it can be synthesized , as well as titanium phosphate, with modifiers, to promote better distribution of the exchanger over the support surface and to enlarge the cavities of their crystal lattice. The prepared exchangers were analyzed by electronic sweep microscopy. The studies on cesium and chromium sorption were made by using radioactive tracer technique, with Cs-134 and Cr-51 radioisotopes. The sorption of cesium in Zr P and Ti P was about 95%, but chromium showed very low sorption in the studied conditions, indicating the necessity of more experiments varying pH and temperature of the solutions. (author)

  8. 78 FR 58354 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing and...

    Science.gov (United States)

    2013-09-23

    ... AA classes based on several factors, including competitive forces and trading volume.\\3\\ The Exchange... electronically in additional Hybrid option classes. The Exchange believes this may result in more competitive pricing in IWM and other Hybrid option classes, which will promote just and equitable principles of trade...

  9. Applicability of the local field concept for the electron gas

    International Nuclear Information System (INIS)

    Neilson, D.; Sjoelander, A.; Swierkowski, L.

    1990-01-01

    The static exchange-correlation hole surrounding an electron in an electron gas at metallic densities has been a highly successful and useful concept. The properties of the static exchange-correlation hole can be accurately reflected by the construction of a static local field. This field surrounds each electron and modifies it interaction with the other electrons in the system. An important limitation of the local field concept is that it does not handle the time-dependent relaxation of the surrounding electron cloud in a particularly transparent way. At metallic densities this is if no consequence since relaxation effects are only small corrections anyway, but at lower densities and in two-dimensional systems they become increasingly important. Approaches which attempt to address these problems are discussed. (author). 12 refs, 4 figs

  10. Electron correlation in single-electron capture from helium by fast protons

    International Nuclear Information System (INIS)

    Purkait, M

    2012-01-01

    The differential and total cross sections for single charge exchange in p-He collisions have been calculated within the framework of four-body boundary corrected continuum intermediate state (BCCIS-4B) approximation. The effect of dynamic electron correlations is explicitly taken into account through the complete perturbation potentials.

  11. Exchange interaction in the heavy rare-earth metals calculated from energy bands

    International Nuclear Information System (INIS)

    Lindgard, P.A.; Liu, S.H.

    1973-01-01

    The exchange interaction in the ordered phases was calculated and found to be significantly influenced by the magnetic perturbation of the conduction electron states. The exchange interaction is intrinsically temperature dependent and is anisotropic. The effect explains how it is possible to have a spiral phase of Tb, although spin wave measurements show no maximum in J/sub q/ for q not equal to 0. The energy difference between the ferromagnetic and spiral phases is of correct order of magnitude to be counterbalanced by the magnetoelastic energy. The wave vector dependent matrix element is found to be similar for Gd, Tb, Dy, and Er with a narrow central conduction electron contribution and a flat region. (U.S.)

  12. Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization.

    Science.gov (United States)

    Phillips, Jordan J; Peralta, Juan E

    2012-09-11

    Semilocal functionals generally yield poor magnetic exchange couplings for transition-metal complexes, typically overpredicting in magnitude the experimental values. Here we show that semilocal functionals evaluated nonself-consistently on densities from hybrid functionals can yield magnetic exchange couplings that are greatly improved with respect to their self-consistent semilocal values. Furthermore, when semilocal functionals are evaluated nonself-consistently on densities from a "half-and-half" hybrid, their errors with respect to experimental values can actually be lower than those from self-consistent calculations with standard hybrid functionals such as PBEh or TPSSh. This illustrates that despite their notoriously poor performance for exchange couplings, for many systems semilocal functionals are capable of delivering accurate relative energies for magnetic states provided that their electron delocalization error is corrected. However, while self-consistent calculations with hybrids uniformly improve results for all complexes, evaluating nonself-consistently with semilocal functionals does not give a balanced improvement for both ferro- and antiferromagnetically coupled complexes, indicating that there is more at play with the overestimation problem than simply the delocalization error. Additionally, we show that for some systems the conventional wisdom of choice of exchange functional mattering more than correlation does not hold. This combined with results from the nonself-consistent calculations provide insight on clarifying the relative roles of exchange, correlation, and delocalization in calculating magnetic exchange coupling parameters in Kohn-Sham Density Functional Theory.

  13. Mechanism and kinetics of hydrated electron diffusion

    International Nuclear Information System (INIS)

    Tay, Kafui A.; Coudert, Francois-Xavier; Boutin, Anne

    2008-01-01

    Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that of the solvent. As previously postulated by both experimental and theoretical works, the instantaneous response of the electron to the librational motions of surrounding water molecules constitutes the principal mode of motion. The diffusive mechanism can be understood within the traditional framework of transfer diffusion processes, where the diffusive step is akin to the exchange of an extramolecular electron between neighboring water molecules. This is a second-order process with a computed rate constant of 5.0 ps -1 at 298 K. In agreement with experiment the electron diffusion exhibits Arrhenius behavior over the temperature range of 298-400 K. We compute an activation energy of 8.9 kJ mol -1 . Through analysis of Arrhenius plots and the application of a simple random walk model it is demonstrated that the computed rate constant for exchange of an excess electron is indeed the phenomenological rate constant associated with the diffusive process

  14. The differing privacy concerns regarding exchanging electronic medical records of internet users in Taiwan.

    Science.gov (United States)

    Hwang, Hsin-Ginn; Han, Hwai-En; Kuo, Kuang-Ming; Liu, Chung-Feng

    2012-12-01

    This study explores whether Internet users have different privacy concerns regarding the information contained in electronic medical records (EMRs) according to gender, age, occupation, education, and EMR awareness. Based on the Concern for Information Privacy (CFIP) scale developed by Smith and colleagues in 1996, we conducted an online survey using 15 items in four dimensions, namely, collection, unauthorized access, secondary use, and errors, to investigate Internet users' concerns regarding the privacy of EMRs under health information exchanges (HIE). We retrieved 213 valid questionnaires. The results indicate that the respondents had substantial privacy concerns regarding EMRs and their educational level and EMR awareness significantly influenced their privacy concerns regarding unauthorized access and secondary use of EMRs. This study recommends that the Taiwanese government organizes a comprehensive EMR awareness campaign, emphasizing unauthorized access and secondary use of EMRs. Additionally, to cultivate the public's understanding of EMRs, the government should employ various media, especially Internet channels, to promote EMR awareness, thereby enabling the public to accept the concept and use of EMRs. People who are highly educated and have superior EMR awareness should be given a comprehensive explanation of how hospitals protect patients' EMRs from unauthorized access and secondary use to address their concerns. Thus, the public can comprehend, trust, and accept the use of EMRs, reducing their privacy concerns, which should facilitate the future implementation of HIE.

  15. Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

    Science.gov (United States)

    Soniat, Marielle; Rogers, David M; Rempe, Susan B

    2015-07-14

    A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

  16. Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory.

    Science.gov (United States)

    Schweigert, Igor V; Bartlett, Rodney J

    2008-09-28

    Adding a fraction of the nonlocal exchange operator to the local orbital-dependent exchange potential improves the many-body perturbation expansion based on the Kohn-Sham determinant. The effect of such a hybrid scheme on the performance of the orbital-dependent correlation functional from the second-order perturbation theory (PT2H) is investigated numerically. A small fraction of the nonlocal exchange is often sufficient to ensure the existence of the self-consistent solution for the PT2H potential. In the He and Be atoms, including 37% of the nonlocal exchange leads to the correlation energies and electronic densities that are very close to the exact ones. In molecules, varying the fraction of the nonlocal exchange may result in the PT2H energy closely reproducing the CCSD(T) value; however such a fraction depends on the system and does not always result in an accurate electronic density. We also numerically verify that the "semicanonical" perturbation series includes most of the beneficial effects of the nonlocal exchange without sacrificing the locality of the exchange potential.

  17. Electron transport effects in ion induced electron emission

    Energy Technology Data Exchange (ETDEWEB)

    Dubus, A. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. FD Roosevelt, B-1050 Brussels (Belgium)]. E-mail: adubus@ulb.ac.be; Pauly, N. [Universite Libre de Bruxelles, Service de Metrologie Nucleaire (CP 165/84), 50 av. FD Roosevelt, B-1050 Brussels (Belgium); Roesler, M. [Karl-Pokern-Str. 12, D-12587 Berlin (Germany)

    2007-03-15

    Ion induced electron emission (IIEE) is usually described as a three-step process, i.e. electron excitation by the incident projectile, electron transport (and multiplication) and electron escape through the potential barrier at the surface. In many cases, the first step of the process has been carefully described. The second step of the process, i.e. electron transport and multiplication, has often been treated in a very rough way, a simple decreasing exponential law being sometimes used. It is precisely the aim of the present work to show the importance of a correct description of electron transport and multiplication in a theoretical calculation of IIEE. A short overview of the electron transport models developed for IIEE is given in this work. The so-called 'Infinite medium slowing-down model' often used in recent works is evaluated by means of Monte Carlo simulations. In particular, the importance of considering correctly the semi-infinite character of the medium and the boundary condition at the vacuum-medium interface is discussed. Quantities like the electron escape depth are also briefly discussed. This evaluation has been performed in the particular case of protons (25keVexchange) incident on polycrystalline aluminium targets.

  18. Spin exchange between ion probes and localized moments in ferromagnets as the origin of transient fields

    International Nuclear Information System (INIS)

    Hagelberg, F.; Das, T.P.; Speidel, K.

    1993-01-01

    The transient field phenomenon has been ascribed to a polarization transfer between the electrons of the ionic projectiles and the surplus of majority spin electrons of the ferromagnetic host over the minority spin electrons. Earlier attempts to explain this crucial process failed to account for the order of magnitude of the experimentally observed transient field strengths. A recent model which proposes spin exchange scattering between bound projectile electrons and quasifree host electrons as the mechanism of polarization transfer arrives at the correct orders of magnitude but is in conflict with the weak velocity dependence of the experimental polarization, exhibiting a strongly decreasing behavior with increasing velocity. The new model presented here proposes spin exchange between the ionic shell and localized electrons of the ferromagnet as a more adequate approach to the problem. It is shown that calculations involving hydrogenlike ions explain the size of the experimentally observed polarization effects as well as their velocity dependence for various ion probes traversing thin iron foils

  19. Demonstration on endurance of ion exchange membrane immersed in high-concentration tritiated water under the Broader Approach Activities

    Energy Technology Data Exchange (ETDEWEB)

    Iwai, Yasunori, E-mail: iwai.yasunori@jaea.go.jp; Sato, Katsumi; Kawamura, Yoshinori; Yamanishi, Toshihiko

    2013-10-15

    Highlights: • Endurance of Nafion ion exchange membrane immersed in 1.38 × 10{sup 12} Bq/kg of highly concentrated tritiated water was demonstrated. • Degradation of Nafion backbone structure by tritium beta was similar to that by gamma rays and electron beams at an equivalent dose. • Degradation directly by radiation was dominant at room temperature compared with that by reactions with radicals produced from water radiolysis. -- Abstract: The Nafion{sup ®} ion exchange membrane is a key material for electrolysis cells of the water detritiation system. Endurance of Nafion ion exchange membrane immersed in 1.38 × 10{sup 12} Bq/kg of highly concentrated tritiated water has been demonstrated at room temperature for up to 2 years under the Broader Approach Activities. The curves of percent elongation at break vs. dose and tensile strength vs. dose for the Nafion membranes immersed in tritiated water were well consistent with those for Nafion membranes irradiated to an equivalent dose with gamma rays and electron beams. This shows that the degradation of Nafion backbone structure by tritium beta is similar to that by gamma rays and electron beams. The results of ferric Fenton test indicated that the degradation directly by radiation was dominant at room temperature compared with that by reactions with radicals produced from water radiolysis. The curve of ion exchange capacity vs. dose for the Nafion membranes immersed in tritiated water was also well consistent with that for Nafion membranes irradiated to an equivalent dose with gamma rays and electron beams. These results showed irradiation tests with gamma rays and electron beams were alternative for predicting degradation of ion exchange membrane by tritium beta.

  20. Dissociative electron attachment and charge transfer in condensed matter

    International Nuclear Information System (INIS)

    Bass, A.D.; Sanche, L.

    2003-01-01

    Experiments using energy-selected beams of electrons incident from vacuum upon thin vapour deposited solids show that, as in the gas-phase, scattering cross sections at low energies are dominated by the formation of temporary negative ions (or resonances) and that molecular damage may be effected via dissociative electron attachment (DEA). Recent results also show that charge transfer between anionic states of target molecules and their environment is often crucial in determining cross sections for electron driven processes. Here, we review recent work from our laboratory, in which charge transfer is observed. For rare gas solids, electron exchange between the electron-exciton complex and either a metal substrate or co-adsorbed molecule enhances the desorption of metastable atoms and/or molecular dissociation. We discuss how transient electron capture by surface electron states of a substrate and subsequent electron transfer to a molecular adsorbate enhances the effective cross sections for DEA. We also consider the case of DEA to CF 2 Cl 2 condensed on water and ammonia ices, where electron exchange between pre-solvated electron states of ice and transient molecular anions can also increase DEA cross sections. Electron transfer from molecular resonances into pre-solvated electron states of ice is also discussed

  1. Epinephrine syringe exchange events in a paediatric cardiovascular ICU: analysing the storm.

    Science.gov (United States)

    Achuff, Barbara-Jo; Achuff, Jameson C; Park, Hwan H; Moffett, Brady; Acosta, Sebastian; Rusin, Craig G; Checchia, Paul A

    2018-03-01

    Introduction Haemodynamically unstable patients can experience potentially hazardous changes in vital signs related to the exchange of depleted syringes of epinephrine to full syringes. The purpose was to determine the measured effects of epinephrine syringe exchanges on the magnitude, duration, and frequency of haemodynamic disturbances in the hour after an exchange event (study) relative to the hours before (control). Materials and methods Beat-to-beat vital signs recorded every 2 seconds from bedside monitors for patients admitted to the paediatric cardiovascular ICU of Texas Children's Hospital were collected between 1 January, 2013 and 30 June, 2015. Epinephrine syringe exchanges without dose/flow change were obtained from electronic records. Time, magnitude, and duration of changes in systolic blood pressure and heart rate were characterised using Matlab. Significant haemodynamic events were identified and compared with control data. In all, 1042 syringe exchange events were found and 850 (81.6%) had uncorrupted data for analysis. A total of 744 (87.5%) exchanges had at least 1 associated haemodynamic perturbation including 2958 systolic blood pressure and 1747 heart-rate changes. Heart-rate perturbations occurred 37% before exchange and 63% after exchange, and 37% of systolic blood pressure perturbations happened before syringe exchange, whereas 63% occurred after syringe exchange with significant differences found in systolic blood pressure frequency (pexchange events.

  2. The changes in the microstructure of ion-exchanged clays

    Directory of Open Access Journals (Sweden)

    Nartowska Edyta

    2017-01-01

    Full Text Available Three natural bentonites and their monoionic forms were investigated by the X-Ray Diffractometry (XRD and Scanning Electron Microscopy (SEM. SEM photographs were analysed using the Photoshop CS4 software and the pore parameters were calculated. The parameters were compared to a interplanar spacing d001 value changes between different homoionic forms. The results suggest the connection between the type of exchangeable cation with the structural parameters of the pores and physicomechanical parameters of the soil, therefore the ion exchange method could be used for controlling soil properties corresponding to their suitability for use in the industry.

  3. Correlation between charge transfer and exchange coupling in carbon-based magnetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Anh Tuan, E-mail: tuanna@hus.edu.vn [Faculty of Physics, VNU University of Science, 334 Nguyen Trai, Thanh Xuan, Ha Noi (Viet Nam); Science and Technology Department, Vietnam National University, Hanoi, 144 Xuan Thuy, Cau Giay, Hanoi (Viet Nam); Japan Advanced Institute of Science and Technology, 1-1, Asahidai, Nomi, Ishikawa, 923-1292 Japan (Japan); Nguyen, Van Thanh; Nguyen, Huy Sinh [Faculty of Physics, VNU University of Science, 334 Nguyen Trai, Thanh Xuan, Ha Noi (Viet Nam); Pham, Thi Tuan Anh [Faculty of Physics, VNU University of Science, 334 Nguyen Trai, Thanh Xuan, Ha Noi (Viet Nam); Faculty of Science, College of Hai Duong, Nguyen Thi Due, Hai Duong (Viet Nam); Do, Viet Thang [Faculty of Physics, VNU University of Science, 334 Nguyen Trai, Thanh Xuan, Ha Noi (Viet Nam); Faculty of Science, Haiphong University, 171 Phan Dang Luu, Kien An, Hai Phong (Viet Nam); Dam, Hieu Chi [Japan Advanced Institute of Science and Technology, 1-1, Asahidai, Nomi, Ishikawa, 923-1292 Japan (Japan)

    2015-10-15

    Several forms of carbon-based magnetic materials, i.e. single radicals, radical dimers, and alternating stacks of radicals and diamagnetic molecules, have been investigated using density-functional theory with dispersion correction and full geometry optimization. Our calculated results demonstrate that the C{sub 31}H{sub 15} (R{sub 4}) radical has a spin of ½. However, in its [R{sub 4}]{sub 2} dimer structure, the net spin becomes zero due to antiferromagnetic spin-exchange between radicals. To avoid antiferromagnetic spin-exchange of identical face-to-face radicals, eight alternating stacks, R{sub 4}/D{sub 2m}/R{sub 4} (with m = 3-10), were designed. Our calculated results show that charge transfer (Δn) between R{sub 4} radicals and the diamagnetic molecule D{sub 2m} occurs with a mechanism of spin exchange (J) in stacks. The more electrons that transfer from R{sub 4} to D{sub 2m}, the stronger the ferromagnetic spin-exchange in stacks. In addition, our calculated results show that Δn can be tailored by adjusting the electron affinity (E{sub a}) of D{sub 2m}. The correlation between Δn, E{sub a}, m, and J is discussed. These results give some hints for the design of new ferromagnetic carbon-based materials.

  4. 76 FR 59754 - Self-Regulatory Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate...

    Science.gov (United States)

    2011-09-27

    ... Rule 6.51 governs the operation of an Exchange feature that allows agency orders to electronically... today under the existing rules) adjust their ``quoting'' behavior accordingly, similar to how they and... Organizations; C2 Options Exchange, Incorporated; Notice of Filing and Immediate Effectiveness of Proposed Rule...

  5. The f electron collapse revisited

    International Nuclear Information System (INIS)

    Bennett, B.I.

    1987-03-01

    A reexamination of the collapse of 4f and 5f electrons in the lanthanide and actinide series is presented. The calculations show the well-known collapse of the f electron density at the thresholds of these series along with an f 2 collapse between thorium and protactinium. The collapse is sensitive to the choice of model for the exchange-correlation potential and the behavior of the potential at large radius

  6. Computer data exchanges spur need for worldwide well numbering standard

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    This paper reports that the American Association of Petroleum Geologists database standards subcommittee has voted to pursue development of a worldwide well numbering standard. Aim of such a standard would be to facilitate the exchange of well data between operators, service companies, and governments. The need for such a standard is heightened by the explosive growth of electronic data interchange (EDI), which uses industry standards to exchange data computer to computer. The subcommittee has reviewed various well numbering methods, identified advantages and disadvantages of each approach for publication to obtain industrywide comments

  7. Frictional drag between quantum wells mediated by phonon exchange

    DEFF Research Database (Denmark)

    Bønsager, M.C.; Flensberg, Karsten; Hu, Ben Yu-Kuang

    1998-01-01

    We use the Kubo formalism to evaluate the contribution of acoustic-phonon exchange to the frictional drag between nearby two-dimensional electron systems. In the case of free phonons, we find a divergent drag rate (tau(D)(-l)). However, tau(D)(-l) becomes finite when phonon scattering from either...

  8. Fe atom exchange between aqueous Fe2+ and magnetite.

    Science.gov (United States)

    Gorski, Christopher A; Handler, Robert M; Beard, Brian L; Pasakarnis, Timothy; Johnson, Clark M; Scherer, Michelle M

    2012-11-20

    The reaction between magnetite and aqueous Fe(2+) has been extensively studied due to its role in contaminant reduction, trace-metal sequestration, and microbial respiration. Previous work has demonstrated that the reaction of Fe(2+) with magnetite (Fe(3)O(4)) results in the structural incorporation of Fe(2+) and an increase in the bulk Fe(2+) content of magnetite. It is unclear, however, whether significant Fe atom exchange occurs between magnetite and aqueous Fe(2+), as has been observed for other Fe oxides. Here, we measured the extent of Fe atom exchange between aqueous Fe(2+) and magnetite by reacting isotopically "normal" magnetite with (57)Fe-enriched aqueous Fe(2+). The extent of Fe atom exchange between magnetite and aqueous Fe(2+) was significant (54-71%), and went well beyond the amount of Fe atoms found at the near surface. Mössbauer spectroscopy of magnetite reacted with (56)Fe(2+) indicate that no preferential exchange of octahedral or tetrahedral sites occurred. Exchange experiments conducted with Co-ferrite (Co(2+)Fe(2)(3+)O(4)) showed little impact of Co substitution on the rate or extent of atom exchange. Bulk electron conduction, as previously invoked to explain Fe atom exchange in goethite, is a possible mechanism, but if it is occurring, conduction does not appear to be the rate-limiting step. The lack of significant impact of Co substitution on the kinetics of Fe atom exchange, and the relatively high diffusion coefficients reported for magnetite suggest that for magnetite, unlike goethite, Fe atom diffusion is a plausible mechanism to explain the rapid rates of Fe atom exchange in magnetite.

  9. Attractive electron-electron interactions within robust local fitting approximations.

    Science.gov (United States)

    Merlot, Patrick; Kjærgaard, Thomas; Helgaker, Trygve; Lindh, Roland; Aquilante, Francesco; Reine, Simen; Pedersen, Thomas Bondo

    2013-06-30

    An analysis of Dunlap's robust fitting approach reveals that the resulting two-electron integral matrix is not manifestly positive semidefinite when local fitting domains or non-Coulomb fitting metrics are used. We present a highly local approximate method for evaluating four-center two-electron integrals based on the resolution-of-the-identity (RI) approximation and apply it to the construction of the Coulomb and exchange contributions to the Fock matrix. In this pair-atomic resolution-of-the-identity (PARI) approach, atomic-orbital (AO) products are expanded in auxiliary functions centered on the two atoms associated with each product. Numerical tests indicate that in 1% or less of all Hartree-Fock and Kohn-Sham calculations, the indefinite integral matrix causes nonconvergence in the self-consistent-field iterations. In these cases, the two-electron contribution to the total energy becomes negative, meaning that the electronic interaction is effectively attractive, and the total energy is dramatically lower than that obtained with exact integrals. In the vast majority of our test cases, however, the indefiniteness does not interfere with convergence. The total energy accuracy is comparable to that of the standard Coulomb-metric RI method. The speed-up compared with conventional algorithms is similar to the RI method for Coulomb contributions; exchange contributions are accelerated by a factor of up to eight with a triple-zeta quality basis set. A positive semidefinite integral matrix is recovered within PARI by introducing local auxiliary basis functions spanning the full AO product space, as may be achieved by using Cholesky-decomposition techniques. Local completion, however, slows down the algorithm to a level comparable with or below conventional calculations. Copyright © 2013 Wiley Periodicals, Inc.

  10. The Veteran-Initiated Electronic Care Coordination: A Multisite Initiative to Promote and Evaluate Consumer-Mediated Health Information Exchange.

    Science.gov (United States)

    Klein, Dawn M; Pham, Kassi; Samy, Leila; Bluth, Adam; Nazi, Kim M; Witry, Matthew; Klutts, J Stacey; Grant, Kathleen M; Gundlapalli, Adi V; Kochersberger, Gary; Pfeiffer, Laurie; Romero, Sergio; Vetter, Brian; Turvey, Carolyn L

    2017-04-01

    Information continuity is critical to person-centered care when patients receive care from multiple healthcare systems. Patients can access their electronic health record data through patient portals to facilitate information exchange. This pilot was developed to improve care continuity for rural Veterans by (1) promoting the use of the Department of Veterans Affairs (VA) patient portal to share health information with non-VA providers, and (2) evaluating the impact of health information sharing at a community appointment. Veterans from nine VA healthcare systems were trained to access and share their VA Continuity of Care Document (CCD) with their non-VA providers. Patients and non-VA providers completed surveys on their experiences. Participants (n = 620) were primarily older, white, and Vietnam era Veterans. After training, 78% reported the CCD would help them be more involved in their healthcare and 86% planned to share it regularly with non-VA providers. Veterans (n = 256) then attended 277 community appointments. Provider responses from these appointments (n = 133) indicated they were confident in the accuracy of the information (97%) and wanted to continue to receive the CCD (96%). Ninety percent of providers reported the CCD improved their ability to have an accurate medication list and helped them make medication treatment decisions. Fifty percent reported they did not order a laboratory test or another procedure because of information available in the CCD. This pilot demonstrates feasibility and value of patient access to a CCD to facilitate information sharing between VA and non-VA providers. Outreach and targeted education are needed to promote consumer-mediated health information exchange.

  11. Charge exchange of muons in gases

    International Nuclear Information System (INIS)

    Turner, R.E.; Senba, M.

    1983-06-01

    The effects of the charge exchange process on muon spin dynamics have been investigated using a density operator formalism with special interest placed upon the diamagnetic muon and paramagnetic muonium signals observed after thermalization. In the charge exchange region the dynamics of the spin density operator is assumed to be determined by the muonium hyperfine interaction and by electron capture and loss processes for muons. Analytical expressions are obtained for the amplitudes and phases of the diamagnetic muon and paramagnetic muonium signals as a function of the duration of the charge exchange region, tsub(c), which is inversely proportional to the number density of the moderating gas. The theoretical signals exhibit three features which have, as yet, to be experimentally observed, namely: i) that the amplitudes associated with the muonium Larmor frequency and with the hyperfine frequency are not, in general, equal, ii) that all the amplitudes are, in general, damped oscillatory functions of tsub(c) (temperature/pressure) and iii) that phase jumps occur when an amplitude decreases to zero and then increases with falling pressure. Fits to the experimental argon data are discussed in light of the above points

  12. Molecular digital pathology: progress and potential of exchanging molecular data.

    Science.gov (United States)

    Roy, Somak; Pfeifer, John D; LaFramboise, William A; Pantanowitz, Liron

    2016-09-01

    Many of the demands to perform next generation sequencing (NGS) in the clinical laboratory can be resolved using the principles of telepathology. Molecular telepathology can allow facilities to outsource all or a portion of their NGS operation such as cloud computing, bioinformatics pipelines, variant data management, and knowledge curation. Clinical pathology laboratories can electronically share diverse types of molecular data with reference laboratories, technology service providers, and/or regulatory agencies. Exchange of electronic molecular data allows laboratories to perform validation of rare diseases using foreign data, check the accuracy of their test results against benchmarks, and leverage in silico proficiency testing. This review covers the emerging subject of molecular telepathology, describes clinical use cases for the appropriate exchange of molecular data, and highlights key issues such as data integrity, interoperable formats for massive genomic datasets, security, malpractice and emerging regulations involved with this novel practice.

  13. 78 FR 28262 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing of...

    Science.gov (United States)

    2013-05-14

    ... exchange be designed to prevent fraudulent and manipulative acts and practices, to promote just and... electronic) [mail message or market letter] communication distributed or made available [by a Trading Permit... electronic) communication concerning options that is distributed or made available only to institutional...

  14. Fast electrons from multi-electron dynamics in xenon clusters induced by inner-shell ionization

    International Nuclear Information System (INIS)

    Bostedt, Christoph; Thomas, Heiko; Hoener, Matthias; Moeller, Thomas; Saalmann, Ulf; Georgescu, Ionut; Gnodtke, Christian; Rost, Jan-Michael

    2010-01-01

    Fast electrons emitted from xenon clusters in strong femtosecond 90 eV pulses have been measured at the Free-electron Laser in Hamburg (FLASH). Energy absorption occurs mainly through atomic inner-shell photo-ionization. Photo-electrons are trapped in the strong Coulomb potential of the cluster ions and form a non-equilibrium plasma with supra-atomic density. Its equilibration through multiple energy-exchanging collisions within the entire cluster volume produces electrons with energies well beyond the dominant emission line of atomic xenon. Here, in contrast to traditional low-frequency laser plasma heating, the plasma gains energy from electrons delivered through massive single-photon excitation from bound states. Electron emission induced by thermalization of a non-equilibrium plasma is expected to be a general phenomenon occurring for strong atomic x-ray absorption in extended systems.

  15. Resonance charge exchange mechanism at high and moderate energies

    International Nuclear Information System (INIS)

    Bogdanov, A.V.; Gevorkyan, A.S.

    1984-01-01

    Charge exchange mechanisms at high and medium energies are investigated, ta king the resonance charge exchange of a proton by an hydrogen atom as an example . It is established that there are two classical charge exchange mechanisms rel ated to direct proton knockout from the bound state and one quantum-mechanical mechanism corresponding to the electron tunnelling from one bound state to anoth er. The classical cross-section diverges for two of these mechanisms, and the quasiclassical scattering amplitude must be calculated on the base of a complex classical trajectory. Physical grounds for the choice of such trajectories are discussed and calculations of the Van Vleck determinant for these mechanisms a re presented. Contributions from different mechanisms to the total charge excha nge cross-section are analyzed. A comparison with experimental data and results of other authors is made

  16. Spin polarization of a magnetic electron gas induced by a van Vleck ion

    International Nuclear Information System (INIS)

    Palermo, L.; Silva, X.A. do

    1978-11-01

    The mutual polarization of a magnetic electron gas and a van Vleck ion, interacting via exchange, are theoretically investigated using the double-time Green function method. A pair of equations describing the dynamics of the electron gas and the ion are conveniently decoupled and an analytic expression for the electron gas polarization, which depends on the square of the exchange parameter, is obtained. Besides a RKKY-like term, a new term associated to the process of formation of the magnetic moment of the ion appears [pt

  17. Charge exchange induced X-ray transitions of hollow ions in laser field ionized plasmas

    International Nuclear Information System (INIS)

    Rosmej, F.B.; Hoffmann, D.H.H.; Faenov, A. Ya.; Pikuz, T.A.; Magunov, A.I.; Skobelev, I.Yu.; Auguste, T.; D'Oliveira, P.; Hulin, S.; Monot, P.

    2000-01-01

    Double electron charge exchange is proposed for the formation of hollow He-like ions when laser field ionized nuclei penetrate into the residual gas. Using transitions from different configurations in hollow ions a method for the determination of the electron temperature in the long lasting recombination phase is developed

  18. Cesium-137 uptake studies on ammonium phospho molybdate irradiated with electrons

    International Nuclear Information System (INIS)

    Rao, K.L.N.; Balasubramanian, K.R.; Shukla, J.P.

    1992-01-01

    Ammonium phospho molybdate is an important inorganic ion exchanger having high selectivity for cesium. This paper discusses the effects of electron irradiation to a dose of 1 mGy on this exchanger with special reference to its ion exchange performance using cesium-137 as a tracer. An explanation is attempted for the slight increase in the distribution coefficients. (author). 5 refs., 1 tab

  19. Calculation of exchange constants in manganese ferrite (MnFe2O4)

    International Nuclear Information System (INIS)

    Zuo Xu; Barbiellini, Bernardo; Vittoria, Carmine

    2004-01-01

    The exchange constants and electronic structure of manganese ferrite (MnFe 2 O 4 ) were calculated using Becke's density functional. The total exchange energy consists of Hartree-Fock (HF) and Becke's density functional terms. We introduced one parameter w as the weight of HF's contribution. We also introduced a parameter α to scale the radial part of the 3d wave functions of Fe 3+ ions. By varying w and α the calculated exchange constants were quantitatively fitted to the experimental values of a spinel ferrite for the first time. Direct (d-d) and indirect (d-p-d) hopping are controlled by the parameters w and α

  20. Oscillatory wake potential with exchange-correlation in plasmas

    Science.gov (United States)

    Khan, Arroj A.; Zeba, I.; Jamil, M.; Asif, M.

    2017-12-01

    The oscillatory wake potential of a moving test charge is studied in quantum dusty plasmas. The plasma system consisting of electrons, ions and negatively charged dust species is embedded in an ambient magnetic field. The modified equation of dispersion is derived using a Quantum Hydrodynamic Model for magnetized plasmas. The quantum effects are inculcated through Fermi degenerate pressure, the tunneling effect and exchange-correlation effects. The study of oscillatory wake is important to know the existence of silence zones in space and astrophysical objects as well as for crystal formation. The graphical description of the potential depicts the significance of the exchange and correlation effects arising through spin and other variables on the wake potential.

  1. Segmented heat exchanger

    Science.gov (United States)

    Baldwin, Darryl Dean; Willi, Martin Leo; Fiveland, Scott Byron; Timmons, Kristine Ann

    2010-12-14

    A segmented heat exchanger system for transferring heat energy from an exhaust fluid to a working fluid. The heat exchanger system may include a first heat exchanger for receiving incoming working fluid and the exhaust fluid. The working fluid and exhaust fluid may travel through at least a portion of the first heat exchanger in a parallel flow configuration. In addition, the heat exchanger system may include a second heat exchanger for receiving working fluid from the first heat exchanger and exhaust fluid from a third heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the second heat exchanger in a counter flow configuration. Furthermore, the heat exchanger system may include a third heat exchanger for receiving working fluid from the second heat exchanger and exhaust fluid from the first heat exchanger. The working fluid and exhaust fluid may travel through at least a portion of the third heat exchanger in a parallel flow configuration.

  2. 76 FR 48769 - Metadata Standards To Support Nationwide Electronic Health Information Exchange

    Science.gov (United States)

    2011-08-09

    ... Medicare & Medicaid Services EHR Electronic Health Record EPAL Enterprise Privacy Authorization Language EO... care provider's electronic health record technology or requests for it to be transmitted to their... Specifications, and Certification Criteria for Electronic Health Record Technology; Interim Final Rule and Final...

  3. Exchange rate rebounds after foreign exchange market interventions

    Science.gov (United States)

    Hoshikawa, Takeshi

    2017-03-01

    This study examined the rebounds in the exchange rate after foreign exchange intervention. When intervention is strongly effective, the exchange rate rebounds at next day. The effect of intervention is reduced slightly by the rebound after the intervention. The exchange rate might have been 67.12-77.47 yen to a US dollar without yen-selling/dollar-purchasing intervention of 74,691,100 million yen implemented by the Japanese government since 1991, in comparison to the actual exchange rate was 103.19 yen to the US dollar at the end of March 2014.

  4. Light Quality Affects Chloroplast Electron Transport Rates Estimated from Chl Fluorescence Measurements.

    Science.gov (United States)

    Evans, John R; Morgan, Patrick B; von Caemmerer, Susanne

    2017-10-01

    Chl fluorescence has been used widely to calculate photosynthetic electron transport rates. Portable photosynthesis instruments allow for combined measurements of gas exchange and Chl fluorescence. We analyzed the influence of spectral quality of actinic light on Chl fluorescence and the calculated electron transport rate, and compared this with photosynthetic rates measured by gas exchange in the absence of photorespiration. In blue actinic light, the electron transport rate calculated from Chl fluorescence overestimated the true rate by nearly a factor of two, whereas there was closer agreement under red light. This was consistent with the prediction made with a multilayer leaf model using profiles of light absorption and photosynthetic capacity. Caution is needed when interpreting combined measurements of Chl fluorescence and gas exchange, such as the calculation of CO2 partial pressure in leaf chloroplasts. © Crown copyright 2017.

  5. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Peters, William K.; Jonas, David M.

    2017-10-01

    Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

  6. Local versus non-local core potentials in electron scattering from sodium atoms

    International Nuclear Information System (INIS)

    Bartschat, K.; Bray, I.

    1996-01-01

    We have tested the use of a local potential instead of the non-local Hartree-Fock potential to represent exchange effects between the valence or the projectile electron and the core in electron scattering from sodium atoms. For some of the most detailed observables in this collision system, the results of the two approaches are nearly identical, even though the effect of the exchange part is shown to be particularly large. (Author)

  7. Semi-Local DFT Functionals with Exact-Exchange-Like Features: Beyond the AK13

    Science.gov (United States)

    Armiento, Rickard

    The Armiento-Kümmel functional from 2013 (AK13) is a non-empirical semi-local exchange functional on generalized gradient approximation form (GGA) in Kohn-Sham (KS) density functional theory (DFT). Recent works have established that AK13 gives improved electronic-structure exchange features over other semi-local methods, with a qualitatively improved orbital description and band structure. For example, the Kohn-Sham band gap is greatly extended, as it is for exact exchange. This talk outlines recent efforts towards new exchange-correlation functionals based on, and extending, the AK13 design ideas. The aim is to improve the quantitative accuracy, the description of energetics, and to address other issues found with the original formulation. Swedish e-Science Research Centre (SeRC).

  8. EPR of exchange coupled systems

    CERN Document Server

    Bencini, Alessandro

    2012-01-01

    From chemistry to solid state physics to biology, the applications of Electron Paramagnetic Resonance (EPR) are relevant to many areas. This unified treatment is based on the spin Hamiltonian approach and makes extensive use of irreducible tensor techniques to analyze systems in which two or more spins are magnetically coupled. This edition contains a new Introduction by coauthor Dante Gatteschi, a pioneer and scholar of molecular magnetism.The first two chapters review the foundations of exchange interactions, followed by examinations of the spectra of pairs and clusters, relaxation in oligon

  9. Electron impact spectroscopy of methane, silane, and germane

    International Nuclear Information System (INIS)

    Dillon, M.A.; Wang, R.G.; Spence, D.

    1985-01-01

    Electronic spectra of the group IV/sub a/ hydrides, i.e., methane (CH 4 ), silane (SiH 4 ), and germane (GeH 4 ) have been investigated by means of electron energy loss spectroscopy in an energy range that includes all single-electron excitation from the valence shell. Electron impact spectra of the three gases recorded using electrons of 200-eV incidence are presented. The conditions employed were chosen to favor the excitation of states by direct scattering and to exclude those transitions requiring an exchange mechanism

  10. Towards improved local hybrid functionals by calibration of exchange-energy densities

    International Nuclear Information System (INIS)

    Arbuznikov, Alexei V.; Kaupp, Martin

    2014-01-01

    A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities

  11. Analysis of defect tubes of fast reactor heat exchanger

    International Nuclear Information System (INIS)

    Rukhlyada, N.Ya.

    2014-01-01

    The experimental Auger electron spectroscopy and X-ray diffraction microanalysis data of laboratory investigations of defect tubes of heat exchanger with sodium coolant are presented. Element distribution through depth of corrosion layers form on the side of coolant (sodium) and on the surface contacting with steam in heat exchanger tube is studied. Sodium presence through all thickness of the tube is determined. It is shown that treatment of 12Cr18N9 steel surface by plasma pulses decreases intergranular corrosion susceptibility. It is related with structural changes of surface layer (∼ 20 μm), its enrichment by chromium and formation of chromium oxide protective film [ru

  12. Tensor exchange amplitudes in K +- N charge exchange reactions

    International Nuclear Information System (INIS)

    Svec, M.

    1979-01-01

    Tensor (A 2 ) exchange amplitudes in K +- N charge exchange (CEX) are constructed from the K +- N CEX data supplemented by information on the vector (rho) exchange amplitudes from πN sca tering. We observed new features in the t-structure of A 2 exchange amplitudes which contradict the t-de pendence anticipated by most of the Regge models. The results also provide evidence for violation of weak exchange degeneracy

  13. Chemical trend of exchange coupling in diluted magnetic II-VI semiconductors: Ab initio calculations

    Science.gov (United States)

    Chanier, T.; Virot, F.; Hayn, R.

    2009-05-01

    We have calculated the chemical trend of magnetic exchange parameters ( Jdd , Nα , and Nβ ) of Zn-based II-VI semiconductors ZnA ( A=O , S, Se, and Te) doped with Co or Mn. We show that a proper treatment of electron correlations by the local spin-density approximation (LSDA)+U method leads to good agreement between experimental and theoretical values of the nearest-neighbor exchange coupling Jdd between localized 3d spins in contrast to the LSDA method. The exchange couplings between localized spins and doped electrons in the conduction band Nα are in good agreement with experiment as well. But the values for Nβ (coupling to doped holes in the valence band) indicate a crossover from weak coupling (for A=Te and Se) to strong coupling (for A=O ) and a localized hole state in ZnO:Mn. This hole localization explains the apparent discrepancy between photoemission and magneto-optical data for ZnO:Mn.

  14. Global Concept of Financial Institutional Transformation of Stock Exchange

    Directory of Open Access Journals (Sweden)

    Burmaka Mykola

    2017-12-01

    Full Text Available The article is about the research of processes of global transformation of stock exchanges through the mechanisms of internationalization, corporate and network consolidation, and technology. Objective processes of internationalization in stock markets affected by financial globalization and arising global information resources create new challenges for stock exchanges that can be overcome by adequate development strategies. The growing competition between stock exchanges and new capital institutes requires stock exchanges to use modern exchange technologies, primarily innovative, in order to maintain liquidity and increase investment attractiveness. Have been analysed the newest tendencies and determinants of modern global financial institutional architecture construction, the leading role in which are starting to play new stock exchanges and stalk exchange platforms, formed in growing financial centres of the world. Have been identified he main components of international stock market restructurization in the process of financial globalization, one of the attributes of which turned out to be a certain fragmentation of markets and their universalization. Through the example of US and EU financial market modernization processes of the last decade have been analysed financial and legal mechanisms of the national and regional levels, which are designed to ensure sustainable development of the global economy at the postcrisis stage. Have been diagnosed international activity of stock exchanges through the quantity indexed of foreign companies in listing, volume of trade with foreign financial instruments, and participation of foreign investors in exchange trade. Have been offered and calculated indices of internationalization of the world’s leading stock market. Have been analysed consolidation processes of the leading stock exchanges and new electronic trading systems at the regional, meso-global and global levels, which resulted in formation of

  15. Exchange bias and bistable magneto-resistance states in amorphous TbFeCo thin films

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiaopu, E-mail: xl6ba@virginia.edu; Ma, Chung T.; Poon, S. Joseph, E-mail: sjp9x@virginia.edu [Department of Physics, University of Virginia, Charlottesville, Virginia 22904 (United States); Lu, Jiwei [Department of Materials Science and Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Devaraj, Arun [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Spurgeon, Steven R.; Comes, Ryan B. [Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2016-01-04

    Amorphous TbFeCo thin films sputter deposited at room temperature on thermally oxidized Si substrate are found to exhibit strong perpendicular magnetic anisotropy. Atom probe tomography, scanning transmission electron microscopy, and energy dispersive X-ray spectroscopy mapping have revealed two nanoscale amorphous phases with different Tb atomic percentages distributed within the amorphous film. Exchange bias accompanied by bistable magneto-resistance states has been uncovered near room temperature by magnetization and magneto-transport measurements. The exchange anisotropy originates from the exchange interaction between the ferrimagnetic and ferromagnetic components corresponding to the two amorphous phases. This study provides a platform for exchange bias and magneto-resistance switching using single-layer amorphous ferrimagnetic thin films that require no epitaxial growth.

  16. Electron transparent graphene windows for environmental scanning electron microscopy in liquids and dense gases.

    Science.gov (United States)

    Stoll, Joshua D; Kolmakov, Andrei

    2012-12-21

    Due to its ultrahigh electron transmissivity in a wide electron energy range, molecular impermeability, high electrical conductivity and excellent mechanical stiffness, suspended graphene membranes appear to be a nearly ideal window material for in situ (in vivo) environmental electron microscopy of nano- and mesoscopic objects (including bio-medical samples) immersed in liquids and/or in dense gaseous media. In this paper, taking advantage of a small modification of the graphene transfer protocol onto metallic and SiN supporting orifices, reusable environmental cells with exchangeable graphene windows have been designed. Using colloidal gold nanoparticles (50 nm) dispersed in water as model objects for scanning electron microscopy in liquids as proof of concept, different conditions for imaging through the graphene membrane were tested. Limiting factors for electron microscopy in liquids, such as electron beam induced water radiolysis and damage of the graphene membrane at high electron doses, are discussed.

  17. Angular distribution of scattered electron and medium energy electron spectroscopy for metals

    International Nuclear Information System (INIS)

    Oguri, Takeo; Ishioka, Hisamichi; Fukuda, Hisashi; Irako, Mitsuhiro

    1986-01-01

    The angular distribution (AD) of scattered electrons produced by medium energy incident electrons (E P = 50 ∼ 300 eV) from polycrystalline Ti, Fe, Ni, Cu and Au were obtained by the angle-resolved medium energy electron spectrometer. The AD of the energy loss peaks are similar figures to AD of the elastically reflected electron peaks. Therefore, the exchanged electrons produced by the knock-on collision between the incident electrons and those of metals without momentum transfer are observed as the energy loss spectra (ELS). This interpretation differs from the inconsequent interpretation by the dielectric theory or the interband transition. The information depth and penetration length are obtained from AD of the Auger electron peaks. The contribution of the surface to spectra is 3 % at the maximum for E P = 50 eV. The true secondary peaks representing the secondary electron emission spectroscopy (SES) are caused by the emissions of the energetic electrons (kT e ≥ 4 eV), and SES is the inversion of ELS. The established fundamental view is that the medium energy electron spectra represent the total bulk density of states. (author)

  18. Experimental evidence of spin glass and exchange bias behavior in sputtered grown α-MnO{sub 2} nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashwani; Sanger, Amit; Singh, Amit Kumar; Kumar, Arvind [Nanoscience Laboratory, Institute Instrumentation Centre, Indian Institute of Technology Roorkee, Roorkee 247667 (India); Kumar, Mohit [Department of Condensed Matter Physics, Weizmann Institute of Science, Rehovot 76100 (Israel); Chandra, Ramesh [Nanoscience Laboratory, Institute Instrumentation Centre, Indian Institute of Technology Roorkee, Roorkee 247667 (India)

    2017-07-01

    Highlights: • We have synthesized the α-MnO{sub 2} nanorods by using DC reactive sputtering. • We observed Spin glass and exchange bias behavior at low temperature in sputtered grown α-MnO{sub 2} nanorods. • Exchange bias arises due to exchange coupling of uncompensated FM spins and AFM spins at FM/AFM interface. - Abstract: Here, we present a single-step process to synthesize the α-MnO{sub 2} nanorods forest using reactive DC magnetron sputtering for the application of magnetic memories. The structural and morphological properties of the α-MnO{sub 2} nanorods were systematically studied using numerous analytical techniques, including X-ray diffraction, Raman spectroscopy, field-emission scanning electron microscopy and transmission electron microscopy. The magnetic measurements suggest that the α-MnO{sub 2} nanorods exhibit spin glass and exchange bias behaviour at low temperature. Such low temperature behaviour is explained by the core-shell type structure of nanorods. Antiferromagnetic core and shell of uncompensated ferromagnetic spins leads to the formation of antiferromagnetic/ferromagnetic (AFM/FM) interfaces, which originates exchange bias in the sample.

  19. Effect of exchange correlation potential on dispersion properties of lower hybrid wave in degenerate plasma

    Science.gov (United States)

    Rimza, Tripti; Sharma, Prerana

    2017-05-01

    The dispersion properties of lower hybrid wave are studied in electron-iondegenerate plasma with exchange effect in non-relativistic regime. It is found that the combined effect of Bohm potential and exchange correlation potential significantly modifies the dispersion properties of lower hybrid wave. The graphical results explicitly show the influence of degeneracy pressure, Bohm force and exchange correlation potential on the frequency of the lower hybrid mode. Present work should be of relevance for the dense astrophysical environments like white dwarfs and for laboratory experiments.

  20. Health information exchange: national and international approaches.

    Science.gov (United States)

    Vest, Joshua R

    2012-01-01

    Health information exchange (HIE), the process of electronically moving patient-level information between different organizations, is viewed as a solution to the fragmentation of data in health care. This review provides a description of the current state of HIE in seven nations, as well was three international HIE efforts, with a particular focus on the relation of exchange efforts to national health care systems, common challenges, and the implications of cross-border information sharing. National and international efforts highlighted in English language informatics journals, professional associations, and government reports are described. Fully functioning HIE is not yet a common phenomenon worldwide. However, multiple nations see the potential benefits of HIE and that has led to national and international efforts of varying scope, scale, and purview. National efforts continue to work to overcome the challenges of interoperability, record linking, insufficient infrastructures, governance, and interorganizational relationships, but have created architectural strategies, oversight agencies, and incentives to foster exchange. The three international HIE efforts reviewed represent very different approaches to the same problem of ensuring the availability of health information across borders. The potential of HIE to address many cost and quality issues will ensure HIE remains on many national agendas. In many instances, health care executives and leaders have opportunities to work within national programs to help shape local exchange governance and decide technology partners. Furthermore, HIE raises policy questions concerning the role of centralized planning, national identifiers, standards, and types of information exchanged, each of which are vital issues to individual health organizations and worthy of their attention.

  1. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    International Nuclear Information System (INIS)

    Al-Hamdani, Yasmine S.; Michaelides, Angelos; Alfè, Dario; Lilienfeld, O. Anatole von

    2014-01-01

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B 3 N 3 H 6 ) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy

  2. Origin of spin-dependent asymmetries in electron transmission through ultrathin ferromagnetic films

    International Nuclear Information System (INIS)

    Gokhale, M.P.; Mills, D.L.

    1991-01-01

    We present theoretical calculations of exchange asymmetries in the transmission of electrons through ultrathin films of ferromagnetic Fe. The results account nicely for the magnitude of the asymmetries observed by Pappas et al. in photoemission studies of Cu covered by an ultrathin film of Fe. We argue that exchange asymmetry in the transmissivity of the Fe film, rather than the spin dependence of the electron mean free path, is responsible for the effects reported by these authors

  3. Local vs. Non-local core potentials in electron scattering from sodium atoms

    International Nuclear Information System (INIS)

    Bartschat, K.; Bray, I.

    1996-02-01

    We have tested the use of a local potential instead of the non-local Hartree-Fock potential to represent exchange effects between the valence or the projectile electron and the core in electron scattering from sodium atoms For some of the most detailed observables in this collision system/ the results of the two approaches are nearly identical, even though the effect of the exchange part is shown to be particularly large. (authors). 16 refs., 4 figs

  4. Some types of difficulty encountered during the simulation of heat exchangers (1961)

    International Nuclear Information System (INIS)

    Bettembourg, D.

    1961-01-01

    After recalling that the simulation of exchangers poses problems which are often difficult to solve, the author points out that these problems appear first of all when the physical phenomena are described in terms of equations. They appear also during the solving of the equations since expressions which are more and more complex can give rise to unstable electronic structures. These difficulties are developed during the analysis of various types of exchangers and in each case the solutions chosen are given. (author) [fr

  5. Compact two-beam push-pull free electron laser

    Science.gov (United States)

    Hutton, Andrew [Yorktown, VA

    2009-03-03

    An ultra-compact free electron laser comprising a pair of opposed superconducting cavities that produce identical electron beams moving in opposite directions such that each set of superconducting cavities accelerates one electron beam and decelerates the other electron beam. Such an arrangement, allows the energy used to accelerate one beam to be recovered and used again to accelerate the second beam, thus, each electron beam is decelerated by a different structure than that which accelerated it so that energy exchange rather than recovery is achieved resulting in a more compact and highly efficient apparatus.

  6. Derivation of the tunnelling exchange time for the model of trap-assisted tunnelling

    International Nuclear Information System (INIS)

    Racko, J.; Ballo, P.; Benko, P.; Harmatha, L.; Grmanova, A.; Breza, J.

    2014-01-01

    We present derivation of the tunnelling exchange times that play the key role in the model of trap assisted tunnelling (TAT) considering the electron and hole exchange processes between the trapping centre lying in the forbidden band of the semiconductor and the conduction band, valence band or a metal. All exchange processes are quantitatively described by respective exchange times. The reciprocal values of these exchange times represent the frequency with which the exchange processes contribute to the probability of occupation of the trap by free charge carriers. The crucial problem in any model of TAT is the calculation of the occupation probability. In our approach this probability is expressed in terms of only thermal and tunnelling exchange times. The concept of tunnelling exchange times presents a dominant contribution to our model of TAT. The new approach allows to simply calculate the probability of occupation of the trapping centre by a free charge carrier and subsequently to get the thermal and tunnelling generation-recombination rates occurring in the continuity equations. This is why the TAT model based on thermal and tunnelling exchange times is suitable for simulating the electrical properties of semiconductor nanostructures in which quantum mechanical phenomena play a key role. (authors)

  7. EPR Studies of Spin-Spin Exchange Processes: A Physical Chemistry Experiment.

    Science.gov (United States)

    Eastman, Michael P.

    1982-01-01

    Theoretical background, experimental procedures, and analysis of experimental results are provided for an undergraduate physical chemistry experiment on electron paramagnetic resonance (EPR) linewidths. Source of line broadening observed in a spin-spin exchange process between radicals formed in aqueous solutions of potassium peroxylamine…

  8. Basic Conditions of Validity of Electronic Contracts in Iran and UNCITRAL Model Law

    Directory of Open Access Journals (Sweden)

    Abbas Karimi

    2017-02-01

    Full Text Available Diverse activities such as electronic exchange of goods and services, instant digital content delivery, electronic funds transfer, electronic stock exchange, electronic bill of lading, commercial projects, common engineering and design, sourcing, government purchase, direct marketing and post-sales services included in e-commerce field.  Due to the increasing spread of the electronic world in all aspects, electronic contracts, in turn, was of great importance and made significant contributions in business contracts. The present study aims to investigate the concept, fundamentals and history of electronic contracts referring to UNCITRAL Model Law on Electronic Commerce and Electronic Commerce Act (1996. The results indicate that in terms of the conclusion and obligations of the parties, contract in cyberspace in general is similar to the contract in the real world and in this respect, there is no major difference between these two contexts. Potential electronic contracts considered as written ones and Electronic signatures recognized as valid as the basis of the validity of the will in electronic trading.

  9. Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

    Science.gov (United States)

    Roemelt, Michael; Krewald, Vera; Pantazis, Dimitrios A

    2018-01-09

    The accurate description of magnetic level energetics in oligonuclear exchange-coupled transition-metal complexes remains a formidable challenge for quantum chemistry. The density matrix renormalization group (DMRG) brings such systems for the first time easily within reach of multireference wave function methods by enabling the use of unprecedentedly large active spaces. But does this guarantee systematic improvement in predictive ability and, if so, under which conditions? We identify operational parameters in the use of DMRG using as a test system an experimentally characterized mixed-valence bis-μ-oxo/μ-acetato Mn(III,IV) dimer, a model for the oxygen-evolving complex of photosystem II. A complete active space of all metal 3d and bridge 2p orbitals proved to be the smallest meaningful starting point; this is readily accessible with DMRG and greatly improves on the unrealistic metal-only configuration interaction or complete active space self-consistent field (CASSCF) values. Orbital optimization is critical for stabilizing the antiferromagnetic state, while a state-averaged approach over all spin states involved is required to avoid artificial deviations from isotropic behavior that are associated with state-specific calculations. Selective inclusion of localized orbital subspaces enables probing the relative contributions of different ligands and distinct superexchange pathways. Overall, however, full-valence DMRG-CASSCF calculations fall short of providing a quantitative description of the exchange coupling owing to insufficient recovery of dynamic correlation. Quantitatively accurate results can be achieved through a DMRG implementation of second order N-electron valence perturbation theory (NEVPT2) in conjunction with a full-valence metal and ligand active space. Perspectives for future applications of DMRG-CASSCF/NEVPT2 to exchange coupling in oligonuclear clusters are discussed.

  10. The electrical conductivity of an interacting electron gas

    International Nuclear Information System (INIS)

    Kojima, D.Y.

    1977-01-01

    A manybody theory by the propagator method developed by Montroll and Ward for the equilibrium statistical mechanics, is reformulated to describe the electrical conductivity for an electron gas system containing impurity. The theory includes electron-impurity interaction to the infinite order and electron-electron interaction to the first order exchange effect. The propagator used by Montroll and Ward is separated into two propagators, each of which satisfies either Bloch or Schroedinger equation, to utilize the perturbation method. Correct counting of graphs are presented. Change in the relaxation time due to the electron-electron interaction is explicity shown and compared with recent works [pt

  11. Atom exchange between aqueous Fe(II) and structural Fe in clay minerals.

    Science.gov (United States)

    Neumann, Anke; Wu, Lingling; Li, Weiqiang; Beard, Brian L; Johnson, Clark M; Rosso, Kevin M; Frierdich, Andrew J; Scherer, Michelle M

    2015-03-03

    Due to their stability toward reductive dissolution, Fe-bearing clay minerals are viewed as a renewable source of Fe redox activity in diverse environments. Recent findings of interfacial electron transfer between aqueous Fe(II) and structural Fe in clay minerals and electron conduction in octahedral sheets of nontronite, however, raise the question whether Fe interaction with clay minerals is more dynamic than previously thought. Here, we use an enriched isotope tracer approach to simultaneously trace Fe atom movement from the aqueous phase to the solid ((57)Fe) and from the solid into the aqueous phase ((56)Fe). Over 6 months, we observed a significant decrease in aqueous (57)Fe isotope fraction, with a fast initial decrease which slowed after 3 days and stabilized after about 50 days. For the aqueous (56)Fe isotope fraction, we observed a similar but opposite trend, indicating that Fe atom movement had occurred in both directions: from the aqueous phase into the solid and from the solid into aqueous phase. We calculated that 5-20% of structural Fe in clay minerals NAu-1, NAu-2, and SWa-1 exchanged with aqueous Fe(II), which significantly exceeds the Fe atom layer exposed directly to solution. Calculations based on electron-hopping rates in nontronite suggest that the bulk conduction mechanism previously demonstrated for hematite1 and suggested as an explanation for the significant Fe atom exchange observed in goethite2 may be a plausible mechanism for Fe atom exchange in Fe-bearing clay minerals. Our finding of 5-20% Fe atom exchange in clay minerals indicates that we need to rethink how Fe mobility affects the macroscopic properties of Fe-bearing phyllosilicates and its role in Fe biogeochemical cycling, as well as its use in a variety of engineered applications, such as landfill liners and nuclear repositories.

  12. Analysis of Turbulence Models in a Cross Flow Pin Fin Micro-Heat Exchanger

    National Research Council Canada - National Science Library

    Lind, Eric

    2002-01-01

    ... of their physical significance to the complex flow environment of a pin fin, cross flow, micro-heat exchanger. Applications of this research include cooling of turbine blades and of closely spaced electronics.

  13. Heavy electron superconductivity: From 1K to 90K to ?

    International Nuclear Information System (INIS)

    Pethick, C.J.; Pines, D.

    1987-01-01

    This paper reviews the experimental results and physical arguments which led us to conclude that in heavy electron systems the physical mechanism responsible for superconductivity is an attractive interaction between the heavy electrons which results from the virtual exchange of antiferromagnetic f-electron moment fluctuations. In these systems, then, the superconductivity is of purely electronic origin; the phonon-induced interaction between electrons which leads to superconductivity in ordinary metals plays little or no role

  14. Linear-algebraic approach to electron-molecule collisions: General formulation

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.

    1981-01-01

    We present a linear-algebraic approach to electron-molecule collisions based on an integral equations form with either logarithmic or asymptotic boundary conditions. The introduction of exchange effects does not alter the basic form or order of the linear-algebraic equations for a local potential. In addition to the standard procedure of directly evaluating the exchange integrals by numerical quadrature, we also incorporate exchange effects through a separable-potential approximation. Efficient schemes are developed for reducing the number of points and channels that must be included. The method is applied at the static-exchange level to a number of molecular systems including H 2 , N 2 , LiH, and CO 2

  15. Study of electronic and structural properties of CaS

    International Nuclear Information System (INIS)

    Mirfenderski, M.; Akbarzdeh, H.; Mokhtari, A.

    2003-01-01

    The electronic and structural properties of CaS are calculated using full potential linearized augmented plane wave method within the local density approximation and generalized gradient approximation for the exchange -correlation energy. For both structures, NaCl structure (B1) and CsCl structure (B2), the obtained values for lattice parameters, bulk modulus and its pressure derivative and transition pressure are in reasonable agreement with the experimental values. For electronic properties, the obtained value for band gap is smaller than the experimental value as well as other calculated results based on density functional theory. Engel and Vosko calculated an exchange potential for some atoms within the so-called optimize-potential model and then used the virial relation and constructed a new exchange-correlation functional. We used that functional and obtained reasonable results for band gap. Finally we investigated the possibility for a third phase ( Zinc Blend structure) for this crystal

  16. Automated exchange transfusion and exchange rate.

    Science.gov (United States)

    Funato, M; Shimada, S; Tamai, H; Taki, H; Yoshioka, Y

    1989-10-01

    An automated blood exchange transfusion (BET) with a two-site technique has been devised by Goldmann et al and by us, using an infusion pump. With this method, we successfully performed exchange transfusions 189 times in the past four years on 110 infants with birth weights ranging from 530 g to 4,000 g. The exchange rate by the automated method was compared with the rate by Diamond's method. Serum bilirubin (SB) levels before and after BET and the maximal SB rebound within 24 hours after BET were: 21.6 +/- 2.4, 11.5 +/- 2.2, and 15.0 +/- 1.5 mg/dl in the automated method, and 22.0 +/- 2.9, 11.2 +/- 2.5, and 17.7 +/- 3.2 mg/dl in Diamond's method, respectively. The result showed that the maximal rebound of the SB level within 24 hours after BET was significantly lower in the automated method than in Diamond's method (p less than 0.01), though SB levels before and after BET were not significantly different between the two methods. The exchange rate was also measured by means of staining the fetal red cells (F cells) both in the automated method and in Diamond's method, and comparing them. The exchange rate of F cells in Diamond's method went down along the theoretical exchange curve proposed by Diamond, while the rate in the automated method was significantly better than in Diamond's, especially in the early stage of BET (p less than 0.01). We believe that the use of this automated method may give better results than Diamond's method in the rate of exchange, because this method is performed with a two-site technique using a peripheral artery and vein.

  17. Heat exchanger

    International Nuclear Information System (INIS)

    Dostatni, A.W.; Dostatni, Michel.

    1976-01-01

    In the main patent, a description was given of a heat exchanger with an exchange surface in preformed sheet metal designed for the high pressure and temperature service particularly encountered in nuclear pressurized water reactors and which is characterised by the fact that it is composed of at least one exchanger bundle sealed in a containment, the said bundle or bundles being composed of numerous juxtaposed individual compartments whose exchange faces are built of preformed sheet metal. The present addendun certificate concerns shapes of bundles and their positioning methods in the exchanger containment enabling its compactness to be increased [fr

  18. Inclusive and exclusive deep-inelastic electron scattering

    International Nuclear Information System (INIS)

    Morgenstern, J.

    1985-11-01

    In this talk, I will present some deep inelastic electron scattering experiments done recently at Saclay with the purpose of studying high momentum components in the nucleus, many body effects as correlations, exchange currents, and the electron-nucleon interaction inside the nuclear medium. For that purpose we have performed (e,e') and (ee'p) experiments. When we detect only the scattered electron, we get some average properties less sensitive to final state interaction; in ee'p measurements we are more specific

  19. HDL-apoA-I exchange: rapid detection and association with atherosclerosis.

    Directory of Open Access Journals (Sweden)

    Mark S Borja

    Full Text Available High density lipoprotein (HDL cholesterol levels are associated with decreased risk of cardiovascular disease, but not all HDL are functionally equivalent. A primary determinant of HDL functional status is the conformational adaptability of its main protein component, apoA-I, an exchangeable apolipoprotein. Chemical modification of apoA-I, as may occur under conditions of inflammation or diabetes, can severely impair HDL function and is associated with the presence of cardiovascular disease. Chemical modification of apoA-I also impairs its ability to exchange on and off HDL, a critical process in reverse cholesterol transport. In this study, we developed a method using electron paramagnetic resonance spectroscopy (EPR to quantify HDL-apoA-I exchange. Using this approach, we measured the degree of HDL-apoA-I exchange for HDL isolated from rabbits fed a high fat, high cholesterol diet, as well as human subjects with acute coronary syndrome and metabolic syndrome. We observed that HDL-apoA-I exchange was markedly reduced when atherosclerosis was present, or when the subject carries at least one risk factor of cardiovascular disease. These results show that HDL-apoA-I exchange is a clinically relevant measure of HDL function pertinent to cardiovascular disease.

  20. Electron loss from heavy heliumlike projectiles in ultrarelativistic collisions with many-electron atomic targets

    International Nuclear Information System (INIS)

    Mueller, C.; Gruen, N.; Voitkiv, A.B.

    2002-01-01

    We study single- and double-electron loss from heavy heliumlike projectiles in ultrarelativistic collisions with neutral many-electron target atoms. The simultaneous interaction of the target with two projectile electrons is found to be the dominant process in the double-electron loss provided the atomic number of the projectile, Z p , that of the target, Z t , and the collision velocity, v, satisfy the condition Z p Z t /v>0.4. It is shown that for a wide range of projectile and target atomic numbers the asymptotic double-to-single loss ratio strongly depends on the target atomic number but is nearly independent of the nuclear charge of the projectile. It is also demonstrated that many-photon exchange between the target and each of the projectile electrons considerably influences the double loss in collisions with very heavy targets

  1. Synthesis, spectroscopy, and hydrogen/deuterium exchange in high-spin iron(II) hydride complexes.

    Science.gov (United States)

    Dugan, Thomas R; Bill, Eckhard; MacLeod, K Cory; Brennessel, William W; Holland, Patrick L

    2014-03-03

    Very few hydride complexes are known in which the metals have a high-spin electronic configuration. We describe the characterization of several high-spin iron(II) hydride/deuteride isotopologues and their exchange reactions with one another and with H2/D2. Though the hydride/deuteride signal is not observable in NMR spectra, the choice of isotope has an influence on the chemical shifts of distant protons in the dimers through the paramagnetic isotope effect on chemical shift. This provides the first way to monitor the exchange of H and D in the bridging positions of these hydride complexes. The rate of exchange depends on the size of the supporting ligand, and this is consistent with the idea that H2/D2 exchange into the hydrides occurs through the dimeric complexes rather than through a transient monomer. The understanding of H/D exchange mechanisms in these high-spin iron hydride complexes may be relevant to postulated nitrogenase mechanisms.

  2. Hydrogen/deuterium exchange mass spectrometry with top-down electron capture dissociation for characterizing structural transitions of a 17 kDa protein.

    Science.gov (United States)

    Pan, Jingxi; Han, Jun; Borchers, Christoph H; Konermann, Lars

    2009-09-09

    Amide H/D exchange (HDX) mass spectrometry (MS) is widely used for protein structural studies. Traditionally, this technique involves protein labeling in D(2)O, followed by acid quenching, proteolytic digestion, and analysis of peptide deuteration levels by HPLC/MS. There is great interest in the development of alternative HDX approaches involving the top-down fragmentation of electrosprayed protein ions, instead of relying on enzymatic cleavage and solution-phase separations. A number of recent studies have demonstrated that electron capture dissociation (ECD) results in fragmentation of gaseous protein ions with little or no H/D scrambling. However, the successful application of this approach for in-depth protein conformational studies has not yet been demonstrated. The current work uses horse myoglobin as a model system for assessing the suitability of HDX-MS with top-down ECD for experiments of this kind. It is found that ECD can pinpoint the locations of protected amides with an average resolution of less than two residues for this 17 kDa protein. Native holo-myoglobin (hMb) shows considerable protection from exchange in all of its helices, whereas loops are extensively deuterated. Fraying is observable at some helix termini. Removal of the prosthetic heme group from hMb produces apo-myoglobin (aMb). Both hMb and aMb share virtually the same HDX protection pattern in helices A-E, whereas helix F is unfolded in aMb. In addition, destabilization is evident for some residues close to the beginning of helix G, the end of helix H, and the C-terminus of the protein. The structural changes reported herein are largely consistent with earlier NMR data for sperm whale myoglobin, although small differences between the two systems are evident. Our findings demonstrate that the level of structural information obtainable with top-down ECD for small to medium-sized proteins considerably surpasses that of traditional HDX-MS experiments, while at the same time greatly reducing

  3. Facile Interfacial Electron Transfer of Hemoglobin

    Directory of Open Access Journals (Sweden)

    Chunhai Fan

    2005-12-01

    Full Text Available Abstract: We herein describe a method of depositing hemoglobin (Hb and sulfonated polyaniline (SPAN on GC electrodes that facilitate interfacial protein electron transfer. Well-defined, reproducible, chemically reversible peaks of Hb and SPAN can be obtained in our experiments. We also observed enhanced peroxidase activity of Hb in SPAN films. These results clearly showed that SPAN worked as molecular wires and effectively exchanged electrons between Hb and electrodes.Mediated by Conjugated Polymers

  4. Self-consistent electronic structure of spin-polarized dilute magnetic semiconductor quantum wells

    International Nuclear Information System (INIS)

    Hong, S. P.; Yi, K. S.; Quinn, J. J.

    2000-01-01

    The electronic properties of spin-symmetry-broken dilute magnetic semiconductor quantum wells are investigated self-consistently at zero temperature. The spin-split subband structure and carrier concentration of modulation-doped quantum wells are examined in the presence of a strong magnetic field. The effects of exchange and correlations of electrons are included in a local-spin-density-functional approximation. We demonstrate that exchange correlation of electrons decreases the spin-split subband energy but enhances the carrier density in a spin-polarized quantum well. We also observe that as the magnetic field increases, the concentration of spin-down (majority) electrons increases but that of spin-up (minority) electrons decreases. The effect of orbital quantization on the in-plane motion of electrons is also examined and shows a sawtoothlike variation in subband electron concentrations as the magnetic-field intensity increases. The latter variation is attributed to the presence of ionized donors acting as the electron reservoir, which is partially responsible for the formation of the integer quantum Hall plateaus. (c) 2000 The American Physical Society

  5. Study of proton polarization in charge exchange process on optically oriented sodium atoms

    International Nuclear Information System (INIS)

    Zelenskij, A.N.; Kokhanovskij, S.A.

    1984-01-01

    Using high-power adjustable dye lasers for electron spin orientation in a charge-exchange target enables to significantly increase the proton polarization efficiency. A device is described that permits to avoid growth of the polarized proton beam emittance in a charge-exchange process in a strong magnetic field. The devise main feature is the use of an intensive source of neutral hydrogen atoms and the presence of a helium additional charge-exchange target which actualy is a proton ''source''. The helium charge-exchange cell is placed in the same magnetic field of a solenoid where a cell with oriented sodium is placed, a polarized electron being captured by a proton in the latter cell. In this case the beam at the solenoid inlet and outlet is in a neutral state; emittance growth related to the effect of end magnetic fields is not observed. The device after all prouduces polarized protons, their polarization degree is measured and the effect of various factors on polarization degree is studied. The description of the laser source and laser system is given. Measurement results have shown the beam intensity of neutral 7 keV atoms which passed through a polarizer to be 2 mA. The proton current doesn't depend. On the beeld fin the region of chrge exchange for the 8 kGs magnetic field. The degree of sodium polarization was 80% and polarized proton current approximately 70 μA at a temperature of the polarized sodium cell corresponding to the density of sodium vapar approximately 3x10 13 at/cm 2

  6. Electronic Discharge Letter Mobile App

    NARCIS (Netherlands)

    Lezcano, Leonardo; Triana, Michel; Ternier, Stefaan; Hartkopf, Kathleen; Stieger, Lina; Schroeder, Hanna; Sopka, Sasa; Drachsler, Hendrik; Maher, Bridget; Henn, Patrick; Orrego, Carola; Specht, Marcus

    2014-01-01

    The electronic discharge letter mobile app takes advantage of Near Field Communication (NFC) within the PATIENT project and a related post-doc study. NFC enabled phones to read passive RFID tags, but can also use this short-range wireless technology to exchange (small) messages. NFC in that sense

  7. Extracellular Electron Transport Coupling Biogeochemical Processes Centimeters

    DEFF Research Database (Denmark)

    Risgaard-Petersen, Nils; Fossing, Henrik; Christensen, Peter Bondo

    2010-01-01

    of the oxygen uptake in laboratory incubations of initially homogenized and stabilized sediment. Using microsensors and process rate measurements we further investigated the effect of the electric currents on sediment biogeochemistry. Dissolved sulfide readily donated electrons to the networks and could...... confirmed the depth range of the electric communication and indicated donation of electrons directly from organotrophic bacteria. The separation of oxidation and reduction processes created steep pH gradients eventually causing carbonate precipitation at the surface. The results indicate that electron...... exchanging organisms have major biogeochemical importance as they allow widely separated electron donors and acceptors to react with one another....

  8. Introduction of a national electronic patient record in The Netherlands: some legal issues

    NARCIS (Netherlands)

    Ploem, Corrette; Gevers, Sjef

    2011-01-01

    The electronic patient record (EPR) is a major technological development within the healthcare sector. Many hospitals across Europe already use institution-based electronic patient records, which allow not only for electronic exchange of patient data within the hospital, but potentially also for

  9. Decontamination of spent ion-exchangers contaminated with cesium radionuclides using resorcinol-formaldehyde resins.

    Science.gov (United States)

    Palamarchuk, Marina; Egorin, Andrey; Tokar, Eduard; Tutov, Mikhail; Marinin, Dmitry; Avramenko, Valentin

    2017-01-05

    The origin of the emergence of radioactive contamination not removable in the process of acid-base regeneration of ion-exchange resins used in treatment of technological media and liquid radioactive waste streams has been determined. It has been shown that a majority of cesium radionuclides not removable by regeneration are bound to inorganic deposits on the surface and inside the ion-exchange resin beads. The nature of the above inorganic inclusions has been investigated by means of the methods of electron microscopy, IR spectrometry and X-ray diffraction. The method of decontamination of spent ion-exchange resins and zeolites contaminated with cesium radionuclides employing selective resorcinol-formaldehyde resins has been suggested. Good prospects of such an approach in deep decontamination of spent ion exchangers have been demonstrated. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Quantum theory of exchange reactions: Use of nonorthogonal bases and coordinates

    International Nuclear Information System (INIS)

    Stechel, E.B.; Schmalz, T.G.; Light, J.C.

    1979-01-01

    A general approach to quantum scattering theory of exchange reactions utilizing nonorthogonal (''over-complete'') basis sets and nonorthogonal coordinates is presented. The method is shown to resolve many of the formal and practical difficulties attending earlier theories. Although the inspiration came from the early and accurate work on the collinear H+H 2 reaction by Diestler possible applications include electron transfer processes as well as chemical exchange reactions. The mathematics is formulated in detail and the solution is presented in terms of the R-matrix propagation method preserving all the symmetries of the physical process, i.e., conservation of flux and microscopic reversibility

  11. Charge exchange and ionization of atoms in collisions with multicharged ions

    International Nuclear Information System (INIS)

    Presnyakov, L.P.; Uskov, D.B.

    1987-01-01

    Single-electron transition in continuous and discrete spectra, induced by A atom and B +2 multicharged ion collision with the charge Z>3 are investigated. A theory of quantum transitions in multilevel systems with ion-atom collisions is considered. Main results on charge exchange in slow (v 0 Z 1/2 ) collisions are presented. For analysis of charge exchange analytical method, being generalization of decay model and of approximation of nonadiabatic coupling of two states, that are included into a developed approach as limiting cases, is developed. The calculation results are compared with the available experimental data

  12. van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

    International Nuclear Information System (INIS)

    Angyan, Janos G.; Gerber, Iann C.; Savin, Andreas; Toulouse, Julien

    2005-01-01

    Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a 'range-separated hybrid' functional based on a local density approximation for the short-range exchange-correlation energy, combined with a long-range exact exchange energy. Long-range correlation effects are added by a second-order perturbational treatment. The resulting scheme is general and is particularly well adapted to describe van der Waals complexes, such as rare gas dimers

  13. LEOS 2002: summer electronics and signal processing symposium

    International Nuclear Information System (INIS)

    Karadzhinov, Ljupcho; Ivanovski, Zoran

    2002-01-01

    LEOS 2002 was the first Macedonian symposium on electronics and signal processing. It was organized in recognition to a growing need to exchange the research results as well as to raise competent discussions among different research groups from both academic and industrial environment in Macedonia. The topics covered in this meeting were defined by the IEEE experts as follows: Power Electronics, Industrial Electronics, Signal Processing, Image and Video Processing, Instrumentation and Measurements, Engineering in Medicine and Biology, Electron Devices and Automatic Control. Papers were mainly from Macedonia, but there was one invited lecture

  14. Use of communication technologies in document exchange for the management of construction projects

    Directory of Open Access Journals (Sweden)

    Mesároš Peter

    2016-06-01

    Full Text Available Information and communication technologies represent a set of people, processes, technical and software tools providing collection, transport, storage and processing of data for distribution and presentation of information. Particularly communication systems are the main tool for information exchange. Of the other part, these technologies have a broad focus and use. One of them is the exchange of documents in the management of construction projects. Paper discusses the issue of exploitation level of communication technologies in construction project management. The main objective of this paper is to analyze exploitation level of communication technologies. Another aim of the paper is to compare exploitation level or rate of document exchange by electronic communication devices and face-to-face communication.

  15. Use of communication technologies in document exchange for the management of construction projects

    Science.gov (United States)

    Mesároš, Peter; Mandičák, Tomáš

    2016-06-01

    Information and communication technologies represent a set of people, processes, technical and software tools providing collection, transport, storage and processing of data for distribution and presentation of information. Particularly communication systems are the main tool for information exchange. Of the other part, these technologies have a broad focus and use. One of them is the exchange of documents in the management of construction projects. Paper discusses the issue of exploitation level of communication technologies in construction project management. The main objective of this paper is to analyze exploitation level of communication technologies. Another aim of the paper is to compare exploitation level or rate of document exchange by electronic communication devices and face-to-face communication.

  16. Effects of core polarization and meson exchange currents on electromagnetic form factors

    Energy Technology Data Exchange (ETDEWEB)

    Arima, Akito [Tokyo Univ. (Japan). Dept. of Physics; Ikegami, Hidetsugu; Muraoka, Mitsuo [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

    1980-01-01

    Magnetic form factors observed by electron scattering provide good evidence for core polarization and meson exchange currents. Their effects are discussed by taking /sup 17/O, /sup 51/V, /sup 207/Pb /sup 208/Pb, /sup 209/Bi and /sup 12/C.

  17. Ion exchange equilibrium constants

    CERN Document Server

    Marcus, Y

    2013-01-01

    Ion Exchange Equilibrium Constants focuses on the test-compilation of equilibrium constants for ion exchange reactions. The book first underscores the scope of the compilation, equilibrium constants, symbols used, and arrangement of the table. The manuscript then presents the table of equilibrium constants, including polystyrene sulfonate cation exchanger, polyacrylate cation exchanger, polymethacrylate cation exchanger, polysterene phosphate cation exchanger, and zirconium phosphate cation exchanger. The text highlights zirconium oxide anion exchanger, zeolite type 13Y cation exchanger, and

  18. Electron induced atomic inner-shell ionization

    International Nuclear Information System (INIS)

    Quarles, C.A.

    1974-01-01

    The current status of cross section measurements for atomic inner-shell ionization by electron bombardment is reviewed. Inner shell ionization studies using electrons as projectiles compliment the similar studies being done with heavy particles, and in addition can provide tests of the theory in those cases when relativistic effects and exchange effects are expected to be important. Both total cross sections and recently measured differential cross sections will be discussed and compared with existing theories where possible. Prospects for further experimental and theoretical work in this area of atomic physics using small electron accelerators will also be discussed

  19. Manufacture of power station heat exchangers using modern production technology

    International Nuclear Information System (INIS)

    Genzlinger, W.; Hoffmann, J.; Ohlhaeuser, K.

    1986-01-01

    Heat exchangers of high quality and operational safety can only be fabricated economically if fabrication is as 'simple' as possible and can be controlled and if, through value analysis, the work flows can be mechanized and automated and the following requirements are met: use of materials that are easy to work with for the application considered, choice of product designs and wall thicknesses that offer favourable conditions for processing and non-destructive testing, placing of seams in such a way that good accessibility for welding and minimum residual welding stresses are assured, minimizing the number of welding seams, use of automatic welding machines for submerged-arc welding and electronically controlled sources of welding current - semi-automatic equipment for spatter-free interfaces (pulse technique), electronically controlled equipment for welding in rollers and pipes and CNC-controlled machining centres for drilling pipe galleries (deep-hole drilling) and baffle plates and for machining the sealing elements after welding. Continuous inspections in each phase of fabrication assures that heat exchangers are made which fully meet the requirements of nuclear power station operators. (orig.)

  20. Spectroscopy of electrons ejected after charge exchange between multicharged ions and atoms

    International Nuclear Information System (INIS)

    Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Boujema, M.; Gleizes, A.

    1988-01-01

    This report concerns a study of two-electron capture into autoionizing states from helium and hydrogen targets. Possible capture mechanisms are discussed. Also multiple-capture processes involving more than two electrons are discussed. 41 refs.; 9 figs.; 1 table

  1. The utilisation experience of the enhanced electronic signature when managing orders

    Directory of Open Access Journals (Sweden)

    Pavel A. Muzychkin

    2017-01-01

    Full Text Available Major universities with a number of branches, located throughout the country, have joined Plekhanov Russian University of Economics and there was a problem of operational coordination of managerial decision-making, coordination of command and control of their implementation. The problem needed to be solved very quickly as many orders have to be issued in a short period. It was necessary to develop and introduce the electronic document flow system to provide coordination of the projects’ orders on the number of students at the university branches on higher education programmes, postgraduate and vocational secondary education, and ensuring legal validity of the electronic documents.Cryptography techniques, encryption standard (National State Standard, Russian Federation legislation, university’s corporate network, electronic document flow system “DELO”, enhanced electronic signature services such as Crypto Pro CSP, CARMA and EDSIGN.Electronic approval technology between the head University and its branches with the use of the enhanced unqualified electronic signature was suggested. Two ways of exchanging documents were developed and implemented in order to make the scheme work:1 Sending documents via the corporate e-mail, using National State Standard encryption.2 Document exchange via “DELO”, electronic document flow system. The first stage has provided the document exchange, using the enciphered information with the enhanced electronic signature. At the same time, the problem of creating secure data channels between the remote university branches was solved. During the second stage, when the branches were introduced into the university’s corporate network through the secure data channels, they also gained access to the “DELO”, electronic document flow system. From the end of December 2014 up to November 2016, around 3000 orders, concerning the students were entered into the system.This method was applied not only at the

  2. Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.

    Science.gov (United States)

    Ren, Hai-Sheng; Ming, Mei-Jun; Ma, Jian-Yi; Li, Xiang-Yuan

    2013-08-22

    Within the framework of constrained density functional theory (CDFT), the diabatic or charge localized states of electron transfer (ET) have been constructed. Based on the diabatic states, inner reorganization energy λin has been directly calculated. For solvent reorganization energy λs, a novel and reasonable nonequilibrium solvation model is established by introducing a constrained equilibrium manipulation, and a new expression of λs has been formulated. It is found that λs is actually the cost of maintaining the residual polarization, which equilibrates with the extra electric field. On the basis of diabatic states constructed by CDFT, a numerical algorithm using the new formulations with the dielectric polarizable continuum model (D-PCM) has been implemented. As typical test cases, self-exchange ET reactions between tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF) and their corresponding ionic radicals in acetonitrile are investigated. The calculated reorganization energies λ are 7293 cm(-1) for TCNE/TCNE(-) and 5939 cm(-1) for TTF/TTF(+) reactions, agreeing well with available experimental results of 7250 cm(-1) and 5810 cm(-1), respectively.

  3. THE NORMALIZATION OF FINANCIAL DATA EXCHANGE OVER THE INTERNET: ADOPTING INTERNATIONAL STANDARD XBRL

    Directory of Open Access Journals (Sweden)

    Catalin Georgel Tudor

    2009-05-01

    Full Text Available The development of a common syntax for EDI (Electronic Data Interchange, XML (eXtensible Markup Language, opened new formalization perspectives for interorganizational data exchanges over the Internet. Many of the organizations involved in the normaliza

  4. Comparative sensing of aldehyde and ammonia vapours on synthetic polypyrrole-Sn(IVarsenotungstate nanocomposite cation exchange material

    Directory of Open Access Journals (Sweden)

    Asif Ali Khan

    2017-06-01

    Full Text Available Polypyrrole-Sn(IVarsenotungstate (PPy-SnAT conductive nanocomposite cation exchange have been synthesized by in-situ chemical oxidative polymerization of polypyrrole with Sn(IVarsenotungstate (SnAT. PPy-SnAT nanocomposite was characterized by Fourier transform infra-red spectroscopy (FTIR, X-Ray diffraction (XRD, scanning electron microscopy (SEM, transmission electron microscopy (TEM, energy-dispersive x-ray (EDX and thermogravimetric analysis (TGA. The ion exchange capacity (IEC and DC electrical conductivity of nanocomposite was found to be 2.50 meq/g and 5.05 × 10−1 S/cm respectively. The nanocomposite showed appreciable isothermal stability in terms of DC electrical conductivity retention under ambient condition up to 130 °C. The nanocomposite cation exchange based sensor for detection of formaldehyde and ammonia vapours were fabricated at room temperature. It was revealed that the resistivity of the nanocomposite increases on exposure to higher percent concentration of ammonia and lower concentration of formaldehyde at room temperature (25 °C.

  5. Effect of electron-photon interaction on the knight shift

    International Nuclear Information System (INIS)

    Tripathi, G.S.; Misra, C.M.; Tripathi, P.; Misra, P.K.

    1990-01-01

    The effect of electron-phonon interaction is considered on the spin (K s ), orbital (K o ) and spin-orbit (K so ) contributions to the Knight shift. In case of K s , it is found that the modifications caused due to the magnetic field dependence of electron self-energy in the presence of electron-phonon interaction is cancelled by the electron-phonon mass enhancement. However, in the presence of both electron-electron and electron-phonon interactions, the exchange enhancement parameter α is modified to α(1+γ) -1 where γ is the electron-phonon mass enhancement parameter. The orbital and spin-orbital contributions are mainly modified through the changes in the one-electron energies and wave functions. (orig.)

  6. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    International Nuclear Information System (INIS)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart; Kosugi, Nobuhiro

    2011-01-01

    Surface-site resolved Kr 3d 5/2 -1 5p and 3d 5/2 -1 6p and Xe 4d 5/2 -1 6p and 4d 5/2 -1 7p Rydberg excited states in small van der Waals Kr and Xe clusters with a mean size of = 15 are investigated by X-ray absorption spectroscopy. Furthermore, surface-site resolved Kr 4s -2 5p, 4s -2 6p, and 4s -1 4p -1 5p shakeup-like Rydberg states in small Kr clusters are investigated by resonant Auger electron spectroscopy. The exchange interaction of the Rydberg electron with the surrounding atoms and the induced polarization of the surrounding atoms in the singly and doubly ionized atoms are deduced from the experimental spectra to analyze different surface-site contributions in small clusters, assuming that the corner, edge, face, and bulk sites have 3, 5-6, 8, and 12 nearest neighbor atoms. These energies are almost proportional to the number of the nearest neighbor atoms. The present analysis indicates that small Kr and Xe clusters with = 15 have an average or mixture structure between the fcc-like cubic and icosahedron-like spherical structures.

  7. Electron Scattering on deuterium

    International Nuclear Information System (INIS)

    Platchkov, S.

    1987-01-01

    Selected electron scattering experiments on the deuteron system are discussed. The main advantages of the electromagnetic probe are recalled. The deuteron A(q 2 ) structure function is analyzed and found to be very sensitive to the neutron electric form factor. Electrodisintegration of the deuteron near threshold is presented as evidence for the importance of meson exchange currents in nuclei [fr

  8. Enhanced capacity and stability for the separation of cesium in electrically switched ion exchange

    International Nuclear Information System (INIS)

    Tawfic, A.F.; Dickson, S.E.; Kim, Y.; Mekky, W.

    2015-01-01

    Electrically switched ion exchange (ESIX) can be used to separate ionic contaminants from industrial wastewater, including that generated by the nuclear industry. The ESIX method involves sequential application of reduction and oxidation potentials to an ion exchange film to induce the respective loading and unloading of cesium. This technology is superior to conventional methods (e.g electrodialysis reversal or reverse osmosis) as it requires very little energy for ionic separation. In previous studies, ESIX films have demonstrated relatively low ion exchange capacities and limited film stabilities over repeated potential applications. In this study, the methodology for the deposition of electro-active films (nickel hexacyanoferrate) on nickel electrodes was modified to improve the ion exchange capacity for cesium removal using ESIX. Cyclic voltammetry was used to investigate the ion exchange capacity and stability. Scanning electron microscopy (SEM) was used to characterize the modified film surfaces. Additionally, the films were examined for the separation of cesium ions. This modified film preparation technique enhanced the ion exchange capacity and improves the film stability compared to previous methods for the deposition of ESIX films. (authors)

  9. Enhanced capacity and stability for the separation of cesium in electrically switched ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Tawfic, A.F.; Dickson, S.E.; Kim, Y. [McMaster University, Hamilton, ON (Canada); Mekky, W. [AMEC NSS, Power and Process America, Toronto (Canada)

    2015-03-15

    Electrically switched ion exchange (ESIX) can be used to separate ionic contaminants from industrial wastewater, including that generated by the nuclear industry. The ESIX method involves sequential application of reduction and oxidation potentials to an ion exchange film to induce the respective loading and unloading of cesium. This technology is superior to conventional methods (e.g electrodialysis reversal or reverse osmosis) as it requires very little energy for ionic separation. In previous studies, ESIX films have demonstrated relatively low ion exchange capacities and limited film stabilities over repeated potential applications. In this study, the methodology for the deposition of electro-active films (nickel hexacyanoferrate) on nickel electrodes was modified to improve the ion exchange capacity for cesium removal using ESIX. Cyclic voltammetry was used to investigate the ion exchange capacity and stability. Scanning electron microscopy (SEM) was used to characterize the modified film surfaces. Additionally, the films were examined for the separation of cesium ions. This modified film preparation technique enhanced the ion exchange capacity and improves the film stability compared to previous methods for the deposition of ESIX films. (authors)

  10. Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange

    International Nuclear Information System (INIS)

    Bylaska, Eric J.; Tsemekhman, Kiril L.; Baden, Scott B.; Weare, John H.; Jonsson, Hannes

    2011-01-01

    One of the more persistent failures of conventional density functional theory (DFT) methods has been their failure to yield localized charge states such as polarons, excitons and solitons in solid-state and extended systems. It has been suggested that conventional DFT functionals, which are not self-interaction free, tend to favor delocalized electronic states since self-interaction creates a Coulomb barrier to charge localization. Pragmatic approaches in which the exchange correlation functionals are augmented with small amount of exact exchange (hybrid-DFT, e.g. B3LYP and PBE0) have shown promise in localizing charge states and predicting accurate band gaps and reaction barriers. We have developed a parallel algorithm for implementing exact exchange into pseudopotential plane-wave density functional theory and we have implemented it in the NWChem program package. The technique developed can readily be employed in plane-wave DFT programs. Furthermore, atomic forces and stresses are straightforward to implement, making it applicable to both confined and extended systems, as well as to Car-Parrinello ab initio molecular dynamic simulations. This method has been applied to several systems for which conventional DFT methods do not work well, including calculations for band gaps in oxides and the electronic structure of a charge trapped state in the Fe(II) containing mica, annite.

  11. Electronic zero-point oscillations in the strong-interaction limit of density functional theory

    NARCIS (Netherlands)

    Gori Giorgi, P.; Vignale, G.; Seidl, M.

    2009-01-01

    The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0

  12. Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package

    Science.gov (United States)

    Barnes, Taylor; Kurth, Thorsten; Carrier, Pierre; Wichmann, Nathan; Prendergast, David; Kent, Paul; Deslippe, Jack

    Accurate simulation of condensed matter at the nanoscale requires careful treatment of the exchange interaction between electrons. In the context of plane-wave DFT, these interactions are typically represented through the use of approximate functionals. Greater accuracy can often be obtained through the use of functionals that incorporate some fraction of exact exchange; however, evaluation of the exact exchange potential is often prohibitively expensive. We present an improved algorithm for the parallel computation of exact exchange in Quantum Espresso, an open-source software package for plane-wave DFT simulation. Through the use of aggressive load balancing and on-the-fly transformation of internal data structures, our code exhibits speedups of approximately an order of magnitude for practical calculations. Additional optimizations are presented targeting the many-core Intel Xeon-Phi ``Knights Landing'' architecture, which largely powers NERSC's new Cori system. We demonstrate the successful application of the code to difficult problems, including simulation of water at a platinum interface and computation of the X-ray absorption spectra of transition metal oxides.

  13. Natural occupation numbers in two-electron quantum rings.

    Science.gov (United States)

    Tognetti, Vincent; Loos, Pierre-François

    2016-02-07

    Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

  14. Natural occupation numbers in two-electron quantum rings

    Energy Technology Data Exchange (ETDEWEB)

    Tognetti, Vincent, E-mail: vincent.tognetti@univ-rouen.fr [Normandy Univ., COBRA UMR 6014 & FR 3038, Université de Rouen, INSA Rouen, CNRS, 1 rue Tesniére, 76821 Mont Saint Aignan, Cedex (France); Loos, Pierre-François [Research School of Chemistry, Australian National University, Canberra ACT 2601 (Australia)

    2016-02-07

    Natural orbitals (NOs) are central constituents for evaluating correlation energies through efficient approximations. Here, we report the closed-form expression of the NOs of two-electron quantum rings, which are prototypical finite-extension systems and new starting points for the development of exchange-correlation functionals in density functional theory. We also show that the natural occupation numbers for these two-electron paradigms are in general non-vanishing and follow the same power law decay as atomic and molecular two-electron systems.

  15. Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

    International Nuclear Information System (INIS)

    Orlenko, E. V.; Ershova, E. V.; Orlenko, F. E.

    2013-01-01

    The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La 1/3 Ca 2/3 MnO 3 that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganese atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites

  16. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    International Nuclear Information System (INIS)

    Krishtopenko, S. S.

    2015-01-01

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system

  17. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Krishtopenko, S. S., E-mail: sergey.krishtopenko@mail.ru [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2015-02-15

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

  18. Exchange rate policy

    Directory of Open Access Journals (Sweden)

    Plačkov Slađana

    2013-01-01

    Full Text Available Small oscillations of exchange rate certainly affect the loss of confidence in the currency (Serbian dinar, CSD and because of the shallow market even the smallest change in the supply and demand leads to a shift in exchange rate and brings uncertainty. Some economists suggest that the course should be linked to inflation and thus ensure predictable and stable exchange rates. Real exchange rate or slightly depressed exchange rate will encourage the competitiveness of exporters and perhaps ensure the development of new production lines which, in terms of overvalued exchange rate, had no economic justification. Fixed exchange rate will bring lower interest rates, lower risk and lower business uncertainty (uncertainty avoidance, but Serbia will also reduce foreign exchange reserves by following this trend. On the other hand, a completely free exchange rate, would lead to a (real fall of Serbian currency, which in a certain period would lead to a significant increase in exports, but the consequences for businessmen and citizens with loans pegged to the euro exchange rate, would be disastrous. We will pay special attention to the depreciation of the exchange rate, as it is generally favorable to the export competitiveness of Serbia and, on the other hand, it leads to an increase in debt servicing costs of the government as well as of the private sector. Oscillations of the dinar exchange rate, appreciation and depreciation, sometimes have disastrous consequences on the economy, investors, imports and exports. In subsequent work, we will observe the movement of the dinar exchange rate in Serbia, in the time interval 2009-2012, in order to strike a balance and maintain economic equilibrium. A movement of foreign currencies against the local currency is controlled in the foreign exchange market, so in case economic interests require, The National Bank of Serbia (NBS, on the basis of arbitrary criteria, can intervene in the market.

  19. Electron transfer reactions of ruthenium(II) complexes with polyphenolic acids in micelles

    Energy Technology Data Exchange (ETDEWEB)

    Rajeswari, Angusamy [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Department of Chemistry, Fatima College, Madurai 625 018 (India); Ramdass, Arumugam [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Research Department of Chemistry, Aditanar College of Arts and Science, Tiruchendur 628 216 (India); Muthu Mareeswaran, Paulpandian [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India); Department of Industrial Chemistry, Alagappa University, Karaikudi 630 003 (India); Rajagopal, Seenivasan, E-mail: rajagopalseenivasan@yahoo.com [School of Chemistry, Madurai Kamaraj University, Madurai 625 021 (India)

    2016-02-15

    The electron transfer in a microhetrogeneous system is a perfect mimic of biological electron transfer. The electron transfer between biologically important phenolic acids and ruthenium (II) complexes is systematically studied in the presence of anionic and cationic micelles. The photophysical properties of these ruthenium (II) complexes with anionic and cationic micelles and their binding abilities with these two type of micelles are also studies using absorption, emission and excited state lifetime spectral techniques. Pseudophase Ion Exchange (PIE) Model is applied to derive mechanism of electron transfer in two types of micelles. - Highlights: • Effect of microhetrogeneous system is studied using ruthenium (II) complexes and gallic acid is studied. • Pseudophase Ion exchange model is applied to derive the mechanism. • Binding constants are in the range of 10{sup 2}–10{sup 4} M{sup −1}.

  20. NMR analysis of t-butyl-catalyzed deuterium exchange at unactivated arene localities.

    Science.gov (United States)

    Stack, Douglas E; Eastman, Rachel

    2016-10-01

    Regioselective labelling of arene rings via electrophilic exchange is often dictated by the electronic environment caused by substituents present on the aromatic system. Previously, we observed the presence of a t-butyl group, either covalently bond or added as an external reagent, could impart deuterium exchange to the unactivated, C1-position of estrone. Here, we provide nuclear magnetic resonance analysis of this exchange in a solvent system composed of 50:50 trifluoroacetic acid and D 2 O with either 2-t-butylestrone or estrone in the presence of t-butyl alcohol has shed insights into the mechanism of this t-butyl-catalyzed exchange. Fast exchange of the t-butyl group concurrent with the gradual reduction of the H1 proton signal in both systems suggest a mechanism involving ipso attack of the t-butyl position by deuterium. The reversible addition/elimination of the t-butyl group activates the H1 proton towards exchange by a mechanism of t-butyl incorporation, H1 activation and exchange, followed by eventual t-butyl elimination. Density functional calculations are consistent with the observation of fast t-butyl exchange concurrent with slower H1 exchange. The σ-complex resulting from ipso attack of deuterium at the t-butyl carbon was 6.6 kcal/mol lower in energy than that of the σ-complex resulting from deuterium attack at C1. A better understanding of the t-butyl-catalyzed exchange could help in the design of labelling recipes for other phenolic metabolites. Copyright © 2016 The Authors. Journal of Labelled Compounds and Radiopharmaceuticals published by John Wiley & Sons, Ltd.

  1. Exchange market pressure

    NARCIS (Netherlands)

    Jager, H.; Klaassen, F.; Durlauf, S.N.; Blume, L.E.

    2010-01-01

    Currencies can be under severe pressure in the foreign exchange market, but in a fixed (or managed) exchange rate regime that is not fully visible via the change in the exchange rate. Exchange market pressure (EMP) is a concept developed to nevertheless measure the pressure in such cases. This

  2. Influence of electronic word-of-mouth on customers’ purchasing decisions of tourism services in Bangladesh

    OpenAIRE

    Chowdhury , Nasif

    2016-01-01

    For quite a long time, informal exchange has been an extremely successful instrument in showcasing tourism administrations. As of late, the data innovation advancement has given a considerably all the more capable edge for this instrument. This article reflects upon this new advancement of electronic informal exchange and surveys its impact on clients' obtaining choices of tourism administrations in Bangladesh. The discoveries have affirmed that electronic word of mouth definite affects clien...

  3. EXTERNALITIES IN EXCHANGE NETWORKS AN ADAPTATION OF EXISTING THEORIES OF EXCHANGE NETWORKS

    NARCIS (Netherlands)

    Dijkstra, Jacob

    2009-01-01

    The present paper extends the focus of network exchange research to externalities in exchange networks. Externalities of exchange are defined as direct effects on an actor's utility, of an exchange in which this actor is not involved. Existing theories in the field of network exchange do not inform

  4. Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view

    CERN Document Server

    Site, Luigi

    2014-01-01

    This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.

  5. Ab Initio Analysis of Auger-Assisted Electron Transfer.

    Science.gov (United States)

    Hyeon-Deuk, Kim; Kim, Joonghan; Prezhdo, Oleg V

    2015-01-15

    Quantum confinement in nanoscale materials allows Auger-type electron-hole energy exchange. We show by direct time-domain atomistic simulation and analytic theory that Auger processes give rise to a new mechanism of charge transfer (CT) on the nanoscale. Auger-assisted CT eliminates the renown Marcus inverted regime, rationalizing recent experiments on CT from quantum dots to molecular adsorbates. The ab initio simulation reveals a complex interplay of the electron-hole and charge-phonon channels of energy exchange, demonstrating a variety of CT scenarios. The developed Marcus rate theory for Auger-assisted CT describes, without adjustable parameters, the experimental plateau of the CT rate in the region of large donor-acceptor energy gap. The analytic theory and atomistic insights apply broadly to charge and energy transfer in nanoscale systems.

  6. sp-d Exchange Interactions in Wave Function Engineered Colloidal CdSe/Mn:CdS Hetero-Nanoplatelets.

    Science.gov (United States)

    Muckel, Franziska; Delikanli, Savas; Hernández-Martínez, Pedro Ludwig; Priesner, Tamara; Lorenz, Severin; Ackermann, Julia; Sharma, Manoj; Demir, Hilmi Volkan; Bacher, Gerd

    2018-03-14

    In two-dimensional (2D) colloidal semiconductor nanoplatelets, which are atomically flat nanocrystals, the precise control of thickness and composition on the atomic scale allows for the synthesis of heterostructures with well-defined electron and hole wave function distributions. Introducing transition metal dopants with a monolayer precision enables tailored magnetic exchange interactions between dopants and band states. Here, we use the absorption based technique of magnetic circular dichroism (MCD) to directly prove the exchange coupling of magnetic dopants with the band charge carriers in hetero-nanoplatelets with CdSe core and manganese-doped CdS shell (CdSe/Mn:CdS). We show that the strength of both the electron as well as the hole exchange interactions with the dopants can be tuned by varying the nanoplatelets architecture with monolayer accuracy. As MCD is highly sensitive for excitonic resonances, excited level spectroscopy allows us to resolve and identify, in combination with wave function calculations, several excited state transitions including spin-orbit split-off excitonic contributions. Thus, our study not only demonstrates the possibility to expand the extraordinary physical properties of colloidal nanoplatelets toward magneto-optical functionality by transition metal doping but also provides an insight into the excited state electronic structure in this novel two-dimensional material.

  7. Effect of Ligand Exchange on the Photoluminescence Properties of Cu-Doped Zn-In-Se Quantum Dots

    Science.gov (United States)

    Dong, Xiaofei; Xu, Jianping; Yang, Hui; Zhang, Xiaosong; Mo, Zhaojun; Shi, Shaobo; Li, Lan; Yin, Shougen

    2018-04-01

    The surface-bound ligands of a semiconductor nanocrystal can affect its electron transition behavior. We investigate the photoluminescence (PL) properties of Cu-doped Zn-In-Se quantum dots (QDs) through the exchange of oleylamine with 6-mercaptohexanol (MCH). Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies, and mass spectrometry reveal that the short-chain MCH molecules are bound to the QD surface. The emission peaks remain unchanged after ligand exchange, and the PL quantum yield is reduced from 49% to 38%. The effects of particle size and defect type on the change in PL behavior upon ligand substitution are excluded through high-resolution transmission electron microscopy, UV-Vis absorption, and PL spectroscopies. The origin of the decreased PL intensity is associated with increased ligand density and the stronger ligand electron-donating abilities of MCH-capped QDs that induce an increase in the nonradiative transition probability. A lower PL quenching transition temperature is observed for MCH-capped QDs and is associated with increasing electron-acoustic phonon coupling due to the lower melting temperature of MCH.

  8. Program For Local-Area-Network Electronic Mail

    Science.gov (United States)

    Weiner, Michael J.

    1989-01-01

    MailRoom is computer program for local-area network (LAN) electronic mail. Enables users of LAN to exchange electronically notes, letters, reminders, or any sort of communication via their computers. Links all users of LAN into communication circle in which messages created, sent, copied, printed, downloaded, uploaded, and deleted through series of menu-driven screens. Includes feature that enables users to determine whether messages sent have been read by receivers. Written in Microsoft QuickBasic.

  9. Heat exchanger

    International Nuclear Information System (INIS)

    Leigh, D.G.

    1976-01-01

    The arrangement described relates particularly to heat exchangers for use in fast reactor power plants, in which heat is extracted from the reactor core by primary liquid metal coolant and is then transferred to secondary liquid metal coolant by means of intermediate heat exchangers. One of the main requirements of such a system, if used in a pool type fast reactor, is that the pressure drop on the primary coolant side must be kept to a minimum consistent with the maintenance of a limited dynamic head in the pool vessel. The intermediate heat exchanger must also be compact enough to be accommodated in the reactor vessel, and the heat exchanger tubes must be available for inspection and the detection and plugging of leaks. If, however, the heat exchanger is located outside the reactor vessel, as in the case of a loop system reactor, a higher pressure drop on the primary coolant side is acceptable, and space restriction is less severe. An object of the arrangement described is to provide a method of heat exchange and a heat exchanger to meet these problems. A further object is to provide a method that ensures that excessive temperature variations are not imposed on welded tube joints by sudden changes in the primary coolant flow path. Full constructional details are given. (U.K.)

  10. Giant spin torque in hybrids with anisotropic p-d exchange interaction

    Science.gov (United States)

    Korenev, V. L.

    2014-03-01

    Control of magnetic domain wall movement by the spin-polarized current looks promising for creation of a new generation of magnetic memory devices. A necessary condition for this is the domain wall shift by a low-density current. Here, I show that a strongly anisotropic exchange interaction between mobile heavy holes and localized magnetic moments enormously increases the current-induced torque on the domain wall as compared to systems with isotropic exchange. This enables one to control the domain wall motion by current density 104 A/cm2 in ferromagnet/semiconductor hybrids. The experimental observation of the anisotropic torque will facilitate the integration of ferromagnetism into semiconductor electronics.

  11. Giant spin torque in hybrids with anisotropic p-d exchange interaction

    International Nuclear Information System (INIS)

    Korenev, V. L.

    2014-01-01

    Control of magnetic domain wall movement by the spin-polarized current looks promising for creation of a new generation of magnetic memory devices. A necessary condition for this is the domain wall shift by a low-density current. Here, I show that a strongly anisotropic exchange interaction between mobile heavy holes and localized magnetic moments enormously increases the current-induced torque on the domain wall as compared to systems with isotropic exchange. This enables one to control the domain wall motion by current density 10 4  A/cm 2 in ferromagnet/semiconductor hybrids. The experimental observation of the anisotropic torque will facilitate the integration of ferromagnetism into semiconductor electronics

  12. Charge exchange in slow collisions of multiply charged ions with atoms

    International Nuclear Information System (INIS)

    Presnyakov, L.P.; Uskov, D.B.; Janev, R.K.

    1982-01-01

    Single-electron charge exchange between ions having a charge Z>6 and atoms is considered at relative velocities v< Z/sup 1/2/. An analytic method is developed for the solution of a multilevel problem that is a generalization of the decay model and of the approximation of nonadiabatic coupling between two states. Expressions are obtained for the reaction-product distributions in the principal and angular quantum numbers. The calculated total cross sections agree well with the experimental data on charge exchange of hydrogen atoms and molecules with nuclei. The theory describes the oscillations of the total cross section against the background of a monotonic growth as the charge is increased

  13. Beneficial Effect of Surface Decorations on the Surface Exchange of Lanthanum Strontium Ferrite and Dual Phase Composites

    DEFF Research Database (Denmark)

    Ovtar, Simona; Søgaard, Martin; Song, Jia

    2016-01-01

    . These perovskites possess a mixed ionic and electronic conductivity (MIEC), which can be highly beneficial for the processes on oxygen electrode surfaces. The oxygen transport through a MIEC is determined by the rate of the oxygen exchange over the gas-solid interface and the diffusivity of oxide ions and electrons...

  14. Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II: Inclusion of Exchange

    Science.gov (United States)

    Shertzer, Janine; Temkin, A.

    2003-01-01

    As is well known, the full scattering amplitude can be expressed as an integral involving the complete scattering wave function. We have shown that the integral can be simplified and used in a practical way. Initial application to electron-hydrogen scattering without exchange was highly successful. The Schrodinger equation (SE), which can be reduced to a 2d partial differential equation (pde), was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation, which is reducible to a pair of coupled pde's. The resultant scattering amplitudes, both singlet and triplet, calculated as a function of energy are in excellent agreement with converged partial wave results.

  15. Potential for direct interspecies electron transfer in methanogenic wastewater digester aggregates

    DEFF Research Database (Denmark)

    Morita, Masahiko; Malvankar, Nikhil S; Franks, Ashley E

    2011-01-01

    Mechanisms for electron transfer within microbial aggregates derived from an upflow anaerobic sludge blanket reactor converting brewery waste to methane were investigated in order to better understand the function of methanogenic consortia. The aggregates were electrically conductive, with conduc...... for electron exchange in some methanogenic systems....

  16. The 10B (7Li, 7Be)10Be charge-exchange reaction

    International Nuclear Information System (INIS)

    Etchegoyen, A.

    1987-01-01

    It is analysed the mechanisms: direct charge-exchange through the two-body residual force (Q opt ∼ 0.2 MeV, which is close to the reaction Q-value of - 1,42 MeV); and single-Nucleon Knock-on exchange (SNKE) due to the intereacting nucleons being undistinguishable. These mechanisms are analysed in detail for producing 10 B ( 7 Li, 7 Be) 10 Be reaction. The experience was carried out at the Tandar Laboratory using conventional electronics. The elastic scattering was simultaneously measured in order to obtain an optical model parameter set. (M.C.K.) [pt

  17. Estimating Exchange Market Pressure and the Degree of Exchange Market Intervention for Finland during the Floating Exchange Rate Regime

    OpenAIRE

    Pösö, Mika; Spolander, Mikko

    1997-01-01

    In this paper, we use a fairly simple monetary macro model to calculate the quarterly measures of exchange market pressure and the degree of the Bank of Finland's intervention during the time the markka was floated. Exchange market pressure measures the size of the exchange rate change that would have occurred if the central bank had unexpectedly refrained from intervening in the foreign exchange market. Intervention activity of the central bank is measured as the proportion of exchange marke...

  18. Shape resonances in low-energy-electron collisions with halopyrimidines

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Alessandra Souza; Bettega, Márcio H. F., E-mail: bettega@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná (Brazil)

    2013-12-07

    We report calculated cross sections for elastic collisions of low-energy electrons with halopyrimidines, namely, 2-chloro, 2-bromo, and 5-bromopyrimidine. We employed the Schwinger multichannel method with pseudopotentials to compute the cross sections in the static-exchange and static-exchange plus polarization levels of approximation for energies up to 10 eV. We found four shape resonances for each molecule: three of π* nature localized on the ring and one of σ* nature localized along the carbon–halogen bond. We compared the calculated positions of the resonances with the electron transmission spectroscopy data measured by Modelli et al. [J. Phys. Chem. A 115, 10775 (2011)]. In general the agreement between theory and experiment is good. In particular, our results show the existence of a π* temporary anion state of A{sub 2} symmetry for all three halopyrimidines, in agreement with the dissociative electron attachment spectra also reported by Modelli et al. [J. Phys. Chem. A 115, 10775 (2011)].

  19. Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems

    Energy Technology Data Exchange (ETDEWEB)

    Hehn, Anna-Sophia; Holzer, Christof; Klopper, Wim, E-mail: klopper@kit.edu

    2016-11-10

    Highlights: • Ring-coupled-cluster-doubles approach now implemented with exchange terms. • Ring-coupled-cluster-doubles approach now implemented with F12 functions. • Szabo–Ostlund scheme (SO2) implemented for use in SAPT. • Fast convergence to the limit of a complete basis. • Implementation in the TURBOMOLE program system. - Abstract: Random-phase-approximation (RPA) methods have proven to be powerful tools in electronic-structure theory, being non-empirical, computationally efficient and broadly applicable to a variety of molecular systems including small-gap systems, transition-metal compounds and dispersion-dominated complexes. Applications are however hindered due to the slow basis-set convergence of the electron-correlation energy with the one-electron basis. As a remedy, we present approximate explicitly-correlated RPA approaches based on the ring-coupled-cluster-doubles formulation including exchange contributions. Test calculations demonstrate that the basis-set convergence of correlation energies is drastically accelerated through the explicitly-correlated approach, reaching 99% of the basis-set limit with triple-zeta basis sets. When implemented in close analogy to early work by Szabo and Ostlund [36], the new explicitly-correlated ring-coupled-cluster-doubles approach including exchange has the perspective to become a valuable tool in the framework of symmetry-adapted perturbation theory (SAPT) for the computation of dispersion energies of molecular complexes of weakly interacting closed-shell systems.

  20. Electron-Exchange Reactions of Aromatic Molecules; Echanges d'Electrons de Molecules Aromatiques; Reaktsii ehlektronnogo obmena aromaticheskikh molekul; Reacciones de Intercambio Electronico en Moleculas Aromaticas

    Energy Technology Data Exchange (ETDEWEB)

    Malachesky, P. A.; Miller, T. A.; Layloff, T.; Adams, R. N. [University of Kansas, Lawrence, KS (United States)

    1965-10-15

    A large body of information is available on the rates and mechanisms of inorganic electron-exchange processes. In contrast, purely organic systems have received only minor attention. The homogeneous electron-exchange rates (k{sub exc}) and the heterogeneous rate constants for the electrode reaction (k{sub el}) have been measured only for a few hydrocarbons. We have measured k{sub exc} for a variety of aromatic systems including hydrocarbons, quinones and nitro compounds. These measurements have been carried out via electron paramagnetic resonance (EPR) line broadening measurements on mixtures of radical ions and their parent compounds. We have been able to measure k{sub exc} with a precision that allows detection of small differences presumably due to molecular structure and environment. Hydrocarbon systems like anthracene/anthracene anion are very rapid with k{sub exc} values of ca. 10{sup 8}-10{sup 9} litres mole{sup -1} sec{sup -1}. Some substituted aromatics like quinones and nitriles are also quite rapid. However, when a strong electron acceptor function is present like a nitro group in nitrobenzene, the value of k{sub exc} decreases by a factor of 10. It is possible to correlate changes in k{sub exc} in the nitrobenzene series with the unpaired electron density in terms of the {sup 14}N coupling constants of the EPR spectra. Further, the nitro aromatic series show very large variations in k{sub exc} with the solvent system. These changes can be correlated with recent studies of the solvation effect on hyperfine coupling constants. Marcus has reviewed recently chemical and electrochemical electron-transfer theory and suggested correlations between k{sub exc} and k{sub el}. We have measured k{sub el} especially for the nitrobenzene system under conditions which are as nearly identical experimentally to the EPR studies as possible. The electrochemical investigations were carried out by a steady-state d.c. method to eliminate some of the uncertainties inherent in

  1. A continuous exchange factor method for radiative exchange in enclosures with participating media

    International Nuclear Information System (INIS)

    Naraghi, M.H.N.; Chung, B.T.F.; Litkouhi, B.

    1987-01-01

    A continuous exchange factor method for analysis of radiative exchange in enclosures is developed. In this method two types of exchange functions are defined, direct exchange function and total exchange function. Certain integral equations relating total exchange functions to direct exchange functions are developed. These integral equations are solved using Gaussian quadrature integration method. The results obtained based on the present approach are found to be more accurate than those of the zonal method

  2. Empirical parametrization of the two-photon-exchange effect contributions to the electron-proton elastic scattering cross section

    International Nuclear Information System (INIS)

    Qattan, I. A.; Alsaad, A.

    2011-01-01

    The most recent electron-proton elastic scattering data were re-analyzed using an empirical parametrization of the two-photon-exchange (TPE) effect contributions to σ R . The TPE effect contribution F(Q 2 ,ε) was double Taylor series expanded as a polynomial of order n keeping only terms linear in ε to account for the experimentally observed and verified linearity of the Rosenbluth plots. We fix the ratio R=G Ep /G Mp to be that obtained from a fit to the recoil-polarization data and parametrize σ R first by a three-parameter formula (fit I) and then by a two-parameter formula (fit III). In contrast to previous analyses, the fit parameter G Mp 2 as obtained from these fits is either smaller or equal to the values obtained from our conventional Rosenbluth fit (fit II) but never larger. The ratio g(Q 2 )/G Mp 2 which represents the ratio of the TPE and one-photon-exchange (OPE) effect contributions to the intercept of σ R is large and it ranges 3%-88%. The ratio R 1γx2γ =τf(Q 2 )/G Ep 2 which represents the ratio of the TPE and OPE effect contributions to the slope of σ R is also large, reaching a value of 12.0-14.4 at Q 2 = 5.25 (GeV/c) 2 . The ratio R 1γx2γ as obtained from fits I and III is consistent, within error, with those obtained from previous analyses. Our formulas seem to explain the linearity of σ R . Moreover, our analysis shows that the extracted G Ep 2 and G Mp 2 using the conventional Rosenbluth separation method can in fact be broken into the usual OPE and TPE contributions. Therefore, σ R can in fact be derived under weaker conditions than those imposed by the Born approximation. Our results show that the TPE amplitudes, g(Q 2 )/G Mp 2 and f(Q 2 )/G Mp 2 , are sizable and grow with Q 2 value up to Q 2 ∼6 (GeV/c) 2 in agreement with previous studies. A revision of and comparison to previous analyses are also presented.

  3. Investigation of Chemical Exchange at Intermediate Exchange Rates using a Combination of Chemical Exchange Saturation Transfer (CEST) and Spin-Locking methods (CESTrho)

    Science.gov (United States)

    Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

    2011-01-01

    Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer (CEST) and T1ρ magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. PMID:22009759

  4. Investigation of chemical exchange at intermediate exchange rates using a combination of chemical exchange saturation transfer (CEST) and spin-locking methods (CESTrho).

    Science.gov (United States)

    Kogan, Feliks; Singh, Anup; Cai, Keija; Haris, Mohammad; Hariharan, Hari; Reddy, Ravinder

    2012-07-01

    Proton exchange imaging is important as it allows for visualization and quantification of the distribution of specific metabolites with conventional MRI. Current exchange mediated MRI methods suffer from poor contrast as well as confounding factors that influence exchange rates. In this study we developed a new method to measure proton exchange which combines chemical exchange saturation transfer and T(1)(ρ) magnetization preparation methods (CESTrho). We demonstrated that this new CESTrho sequence can detect proton exchange in the slow to intermediate exchange regimes. It has a linear dependence on proton concentration which allows it to be used to quantitatively measure changes in metabolite concentration. Additionally, the magnetization scheme of this new method can be customized to make it insensitive to changes in exchange rate while retaining its dependency on solute concentration. Finally, we showed the feasibility of using CESTrho in vivo. This sequence is able to detect proton exchange at intermediate exchange rates and is unaffected by the confounding factors that influence proton exchange rates thus making it ideal for the measurement of metabolites with exchangeable protons in this exchange regime. Copyright © 2011 Wiley Periodicals, Inc.

  5. Charge exchange processes involving iron ions

    International Nuclear Information System (INIS)

    Phaneuf, R.A.

    1985-01-01

    A review and evaluation is given of the experimental data which are available for charge exchange processes involving iron ions and neutral H, H 2 and He. Appropriate scaling laws are presented, and their accuracy estimated for these systems. A bibliography is given of available data sources, as well as of useful data compilations and review articles. A procedure is recommended for providing single approximate formulae to the fusion community to describe total cross sections for electron capture by partially-stripped Fe/sup q+/ ions in collisions with H, H 2 and He, based on the scaling relationships suggested by Janev and Hvelplund

  6. On one pion exchange potential with quark exchange in the resonating group method

    International Nuclear Information System (INIS)

    Braeuer, K.; Faessler, A.; Fernandez, F.; Shimizu, K.

    1985-01-01

    The effect of quark exchange between different nucleons on the one pion exchange potential is studied in the framework of the resonating group method. The calculated phase shifts including the one pion exchange potential with quark exchange in addition to the one gluon plus sigma meson exchange are shown to be consistent with experiments. Especially the p-wave phase shifts are improved by taking into account the quark exchange on the one pion exchange potential. (orig.)

  7. Entangling distant resonant exchange qubits via circuit quantum electrodynamics

    Science.gov (United States)

    Srinivasa, V.; Taylor, J. M.; Tahan, Charles

    2016-11-01

    We investigate a hybrid quantum system consisting of spatially separated resonant exchange qubits, defined in three-electron semiconductor triple quantum dots, that are coupled via a superconducting transmission line resonator. Drawing on methods from circuit quantum electrodynamics and Hartmann-Hahn double resonance techniques, we analyze three specific approaches for implementing resonator-mediated two-qubit entangling gates in both dispersive and resonant regimes of interaction. We calculate entangling gate fidelities as well as the rate of relaxation via phonons for resonant exchange qubits in silicon triple dots and show that such an implementation is particularly well suited to achieving the strong coupling regime. Our approach combines the favorable coherence properties of encoded spin qubits in silicon with the rapid and robust long-range entanglement provided by circuit QED systems.

  8. Electronic and atomic structure of the AlnHn+2 clusters

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Alonso, J.A.

    2008-01-01

    The electronic and atomic structure of the family of hydrogenated Al clusters AlnHn+2 with n=4-11 has been studied using the density functional theory with the generalized gradient approximation (GGA) for exchange and correlation. All these clusters have substantial gaps between the highest...... a polyhedron of n vertices and n H atoms form strong H-Al terminal bonds; one pair of electrons is involved in each of those bonds. The remaining n+1 electron pairs form a delocalized cloud over the surface of the Al cage. The clusters fulfilling the Wade-Mingos rule have wider HOMO-LUMO gaps...... and are chemically more stable. The trends in the gap have some reflections in the form of the photoabsorption spectra, calculated in the framework of time-dependent density functional theory using the GGA single-particle energies and orbitals and a local density approximation exchange-correlation kernel....

  9. Valence electronic structure of cobalt phthalocyanine from an optimally tuned range-separated hybrid functional.

    Science.gov (United States)

    Brumboiu, Iulia Emilia; Prokopiou, Georgia; Kronik, Leeor; Brena, Barbara

    2017-07-28

    We analyse the valence electronic structure of cobalt phthalocyanine (CoPc) by means of optimally tuning a range-separated hybrid functional. The tuning is performed by modifying both the amount of short-range exact exchange (α) included in the hybrid functional and the range-separation parameter (γ), with two strategies employed for finding the optimal γ for each α. The influence of these two parameters on the structural, electronic, and magnetic properties of CoPc is thoroughly investigated. The electronic structure is found to be very sensitive to the amount and range in which the exact exchange is included. The electronic structure obtained using the optimal parameters is compared to gas-phase photo-electron data and GW calculations, with the unoccupied states additionally compared with inverse photo-electron spectroscopy measurements. The calculated spectrum with tuned γ, determined for the optimal value of α = 0.1, yields a very good agreement with both experimental results and with GW calculations that well-reproduce the experimental data.

  10. Eikonal approach to the atomic break-up process by polarized electrons

    International Nuclear Information System (INIS)

    Onaga, Tomohide

    1992-01-01

    The cross section asymmetry for ionization of hydrogen atoms by electron impact is analysed in the eikonal approach. A new formulation is given for the evaluation of the exchange amplitude up to higher partial Coulomb waves. It is concluded that the cross section asymmetry gives an important criterion or interesting test of validity of approximation methods with the exchange effect. (author)

  11. Spontaneous exchange bias formation driven by a structural phase transition in the antiferromagnetic material.

    Science.gov (United States)

    Migliorini, A; Kuerbanjiang, B; Huminiuc, T; Kepaptsoglou, D; Muñoz, M; Cuñado, J L F; Camarero, J; Aroca, C; Vallejo-Fernández, G; Lazarov, V K; Prieto, J L

    2018-01-01

    Most of the magnetic devices in advanced electronics rely on the exchange bias effect, a magnetic interaction that couples a ferromagnetic and an antiferromagnetic material, resulting in a unidirectional displacement of the ferromagnetic hysteresis loop by an amount called the 'exchange bias field'. Setting and optimizing exchange bias involves cooling through the Néel temperature of the antiferromagnetic material in the presence of a magnetic field. Here we demonstrate an alternative process for the generation of exchange bias. In IrMn/FeCo bilayers, a structural phase transition in the IrMn layer develops at room temperature, exchange biasing the FeCo layer as it propagates. Once the process is completed, the IrMn layer contains very large single-crystal grains, with a large density of structural defects within each grain, which are promoted by the FeCo layer. The magnetic characterization indicates that these structural defects in the antiferromagnetic layer are behind the resulting large value of the exchange bias field and its good thermal stability. This mechanism for establishing the exchange bias in such a system can contribute towards the clarification of fundamental aspects of this exchange interaction.

  12. Electronic structure of MgB 2

    Indian Academy of Sciences (India)

    Results of ab initio electronic structure calculations on the compound MgB2 using the FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, / ratio and the bulk modulus, all of which are in excellent agreement with ...

  13. Electronic structure of MgB2

    Indian Academy of Sciences (India)

    Abstract. Results of ab initio electronic structure calculations on the compound MgB2 using the. FPLAPW method employing GGA for the exchange-correlation energy are presented. Total energy minimization enables us to estimate the equilibrium volume, c/a ratio and the bulk modulus, all of which are in excellent ...

  14. Electronic Transcripts--EDI in Academic Administration.

    Science.gov (United States)

    Carson, E. W.

    1991-01-01

    Newly developed electronic data interchange (EDI) standards for exchanging academic records between colleges and universities are explained. It is argued that implementation of the new standards in college registrar and admissions offices can improve speed, costs, and accuracy and provide a prototype for a variety of campus business applications.…

  15. Electronic laboratory notebook: the academic point of view.

    Science.gov (United States)

    Rudolphi, Felix; Goossen, Lukas J

    2012-02-27

    Based on a requirement analysis and alternative design considerations, a platform-independent electronic laboratory notebook (ELN) has been developed that specifically targets academic users. Its intuitive design and numerous productivity features motivate chemical researchers and students to record their data electronically. The data are stored in a highly structured form that offers substantial benefits over laboratory notebooks written on paper with regard to data retrieval, data mining, and exchange of results.

  16. Electron and positron atomic elastic scattering cross sections

    International Nuclear Information System (INIS)

    Stepanek, Jiri

    2003-01-01

    A method was developed to calculate the total and differential elastic-scattering cross sections for incident electrons and positrons in the energy range from 0.01 eV to 1 MeV for atoms of Z=1-100. For electrons, hydrogen, helium, nitrogen, oxygen, krypton, and xenon, and for positrons, helium, neon, and argon atoms were considered for comparison with experimental data. First, the variationally optimized atomic static potentials were calculated for each atom by solving the Dirac equations for bound electron states. Second, the Dirac equations for a free electron or positron are solved for an atom using the previously calculated static potential accomplished (in the case of electrons) by 'adjusted' Hara's exchange potential for a free-state particle. Additional to the exchange effects, the charge cloud polarization effects are considered applying the correlation-polarization potential of O'Connell and Lane (with correction of Padial and Norcross) for incident electrons, and of Jain for incident positrons. The total, cutoff and differential elastic-scattering cross sections are calculated for incident electrons and positrons with the help of the relativistic partial wave analysis. The solid state effects for scattering in solids are described by means of a muffin-tin model, i.e. the potentials of neighboring atoms are superpositioned in such a way that the resulting potential and its derivative are zero in the middle distance between the atoms. The potential of isolated atom is calculated up to the radius at which the long-range polarization potential becomes a value of -10 -8

  17. Self-consistent electronic structure of disordered Fe/sub 0.65/Ni/sub 0.35/

    International Nuclear Information System (INIS)

    Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

    1985-01-01

    We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the very structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality

  18. Dissociative charge exchange of H2+

    International Nuclear Information System (INIS)

    Bruijn, D. de.

    1983-01-01

    This thesis is devoted to molecular dissociation, in particular the dissociation of the hydrogen molecule H 2 arising from electron capture of its ion H 2 + in a collision. Thereby the important practical question how a chemical bond can be broken is implicitly addressed. This thesis opens (chapter I) with an overview of the available experimental approaches in molecular physics. Further the simple Demkov model for NRCE is described. In chapter II a novel experimental technique for measurements on dissociative processes is introduced which combines a high efficiency with a high energy resolution. A detailed description of the techniques applied in the detector, which has a high spatial and timing resolution with 30 μm and 350 psec FWHM respectively for the detection of one particle, is given in chapter III. A semi-classical theory for NRCE in the medium energy range between a diatomic molecular ion and an atom is developed in chapter IV. The experiments on dissociative charge exchange of H 2 + with Ar, Mg, Na and Cs targets at keV energies are described in Chapter V. The predissociation of the c 3 PIsub(u)-state of H 2 populated after charge exchange of H 2 with several targets at keV energies; is the subject of chapter VI. In chapter VII, orientational oscillations in the cross section for charge exchange of H 2 + with alkali targets are discussed. The last chapter deals with predissociation of highly excited states in H 2 . (Auth.)

  19. Binary encounter electron production in ion-atom collisions

    International Nuclear Information System (INIS)

    Grabbe, S.; Bhalla, C.P.; Shingal, R.

    1993-01-01

    The binary encounter electrons are produced by hard collisions between the target electrons and the energetic projectiles. Richard et al. found the measured double differential cross section for BEe production at zero degree laboratory scattering angle, in collisions of F q+ with H 2 and He targets, to increase as the charge state of the projectile was decreased. The binary encounter electron production has recently been a subject of detailed investigations. We have calculated the differential elastic scattering cross sections of electrons from several ions incorporating the exchange contribution of the continuum and the bound orbitals in addition to the static potential. The double differential binary encounter electron production cross sections are presented using the impulse approximation

  20. Differential cross sections for electron impact excitation of the electronic bands of phenol

    Energy Technology Data Exchange (ETDEWEB)

    Neves, R. F. C. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Lopes, M. C. A.; Nixon, K. L. [Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Silva, G. B. da [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Duque, H. V. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia); Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil); Oliveira, E. M. de; Lima, M. A. P. [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil); Costa, R. F. da [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil); Varella, M. T. do N. [Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil); Bettega, M. H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil); and others

    2015-03-14

    We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C{sub 6}H{sub 5}OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C{sub 6}H{sub 5}OH. The measurements were carried out at energies in the range 15–40 eV, and for scattered-electron angles between 10{sup ∘} and 90{sup ∘}. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI.

  1. Nonequilibrium electron energy-loss kinetics in metal clusters

    CERN Document Server

    Guillon, C; Fatti, N D; Vallee, F

    2003-01-01

    Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.

  2. Characterization of Colloidal Quantum Dot Ligand Exchange by X-ray Photoelectron Spectroscopy

    Science.gov (United States)

    Atewologun, Ayomide; Ge, Wangyao; Stiff-Roberts, Adrienne D.

    2013-05-01

    Colloidal quantum dots (CQDs) are chemically synthesized semiconductor nanoparticles with size-dependent wavelength tunability. Chemical synthesis of CQDs involves the attachment of long organic surface ligands to prevent aggregation; however, these ligands also impede charge transport. Therefore, it is beneficial to exchange longer surface ligands for shorter ones for optoelectronic devices. Typical characterization techniques used to analyze surface ligand exchange include Fourier-transform infrared spectroscopy, x-ray diffraction, transmission electron microscopy, and nuclear magnetic resonance spectroscopy, yet these techniques do not provide a simultaneously direct, quantitative, and sensitive method for evaluating surface ligands on CQDs. In contrast, x-ray photoelectron spectroscopy (XPS) can provide nanoscale sensitivity for quantitative analysis of CQD surface ligand exchange. A unique aspect of this work is that a fingerprint is identified for shorter surface ligands by resolving the regional XPS spectrum corresponding to different types of carbon bonds. In addition, a deposition technique known as resonant infrared matrix-assisted pulsed laser evaporation is used to improve the CQD film uniformity such that stronger XPS signals are obtained, enabling more accurate analysis of the ligand exchange process.

  3. The Evolution of Foreign Exchange Markets in the Context of Global Crisis

    Directory of Open Access Journals (Sweden)

    Mariana Trandafir

    2011-12-01

    Full Text Available The FX market is the world’s largest financial market. The global financial systeminvolves effective and efficient exchange of currencies. Corporations and investors participate in themarket for operational needs: to reduce risk by hedging currency exposures; to convert their returnsfrom international investments into domestic currencies and to make cross-border investments andraise finance outside home markets. Central banks participate in the market. This paper analyzesforeign exchange marketsactivity before and under the condition the global crisis. The method ofresearch is the comparative analysis used on the global and European level. The research is importantand actual because it reveals the changeswhich have defined a new paradigm forthe foreignexchange marketsand which contributed to the increasing of the global foreign exchange marketturnover during the global crisis. The main conclusion of the paper is that the innovativedevelopments in electronic trading technology and institutional trading arrangements are behind theevolution of the foreign exchange markets. The analysis is supported by statistical tables and uses therecent officialBank for International Settlements and European Central Bank statistic databases.

  4. Electronic folklore among teenagers: SMS messages

    Directory of Open Access Journals (Sweden)

    Cvjetićanin Tijana

    2006-01-01

    Full Text Available The development of ICT media made way for a new form of folklore communication. Newly developed media, such as mobile phones, make it possible for their users to participate in electronically mediated communication, thus approaching the form of oral communication. The exchange of special type of SMS text messages represents a new way of transmitting contemporary folklore short forms. These messages use poetic language, they have standard style themes, patterns and formulas, and they form different genres and categories corresponding with already existing familiar folklore forms. The communication process that happens during the exchange of these messages also has folklore’s characteristics: it takes place within small groups, the communication is informal, the texts circulate in chain style, and undergo different transformation which generates the making of variants, etc. This form of electronic folklore is especially popular among teenagers, where it’s social functions and meanings are also most emphasized. Within this population, it adds to an older tradition of children’s written folklore poetry albums. Like poetry albums, SMS exchange influences the development of girls’ gender identity, providing also a socially defined channel for contacts between the sexes. It also functions as a mechanism of socialization and stratification within the group. At the same time, it creates a new field of meaning, which derives from the very media’s novelty and significance. In this sense, the exchange of SMS represents a symbolic act of acknowledging one’s belonging to the group of mobile telephone users. In this way, a new phenomenon is being symbolically processed through a new form of folklore.

  5. Organising Data Exchange in the Dutch Criminal Justice Chain

    Directory of Open Access Journals (Sweden)

    Philip LANGBROEK

    2009-12-01

    Full Text Available Effective exchange of information in the criminal justice chain is crucial for effective law enforcement, but difficult to achieve. This article describes the case of the development and introduction of electronic data exchange in the Dutch Criminal Justice chain. Basic theories on the introduction of IT in justice organizations are tested by means of qualitative empirical research. Case flow management automation is technically feasible in the criminal justice chain but presupposes willingness of different organizations attached to that chain to adapt working processes for that purpose. The Dutch case shows a relative failure of the development and implementation of an integrated case flow management system for the entire chain (from the police via the public prosecutions office and the courts up to the prison service. It also shows a relative success of connecting xml-based data files to different reference indexes using intelligent agent software. Compared to the intended integrated case flow management system this solution for inter-organizational data exchange is much more simple and flexible because it does not demand a far reaching adaptation of internal organizational routines. It avoids the complexities of justice organizations and simplifies tasks related to data exchange. The data therefore are more accurate and are faster available. The most important advantage however is that risks of failure of development and implementation are reduced.

  6. Murmanite and lomonosovite as Ag-selective ionites: kinetics and products of ion exchange in aqueous AgNO3 solutions

    Science.gov (United States)

    Lykova, Inna S.; Chukanov, Nikita V.; Kazakov, Anatoliy I.; Tarasov, Viktor P.; Pekov, Igor V.; Yapaskurt, Vasiliy O.; Chervonnaya, Nadezhda A.

    2013-09-01

    Products and kinetics of ion exchange of heterophyllosilicate minerals lomonosovite and murmanite with aqueous AgNO3 solutions under low-temperature conditions have been studied using scanning electron microscopy, electron microprobe analysis, single-crystal X-ray diffraction, infrared spectroscopy, 23Na nuclear magnetic resonance spectroscopy and dynamic calorimetry. Both minerals show strong affinity for silver in cation exchange. Simplified formulae of Ag-exchanged forms of murmanite and lomonosovite are (Ag3.0Ca0.5Na0.5) (Ti,Nb,Mn,Fe)3.7-4 (Si2O7)2O4·4(H2O,OH) and (Ag8.2Na1.2Ca0.3) (Ti,Nb,Mn,Fe)3.9-4 (Si2O7)2 (PO4)1.9O4· xH2O, respectively. The reaction of ion exchange for murmanite follows the first-order kinetic model up to ca. 70-80 % conversion. The rate of the process is described by the equation k(h-1) = 107.64±0.60 exp[-(12.2 ± 0.9)·103/RT]. The average heat release value in the temperature range 39.4-72 °C is 230 J g-1. The cation exchange is limited by processes in solid state, most probably binding of silver.

  7. An exciton approach to the excited states of two electron atoms. I Formalism and interpretation

    International Nuclear Information System (INIS)

    Schipper, P.E.

    1985-01-01

    The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair

  8. Large Logarithms in the Beam Normal Spin Asymmetry of Elastic Electron--Proton Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Andrei Afanasev; Mykola Merenkov

    2004-06-01

    We study a parity-conserving single-spin beam asymmetry of elastic electron-proton scattering induced by an absorptive part of the two-photon exchange amplitude. It is demonstrated that excitation of inelastic hadronic intermediate states by the consecutive exchange of two photons leads to logarithmic and double-logarithmic enhancement due to contributions of hard collinear quasi-real photons. The asymmetry at small electron scattering angles is expressed in terms of the total photoproduction cross section on the proton, and is predicted to reach the magnitude of 20-30 parts per million. At these conditions and fixed 4-momentum transfers, the asymmetry is rising logarithmically with increasing electron beam energy, following the high-energy diffractive behavior of total photoproduction cross section on the proton.

  9. Analyses of crystal field and exchange interaction of Dy3Ga5O12 under extreme conditions

    International Nuclear Information System (INIS)

    Wang Wei; Qi Xin; Yue Yuan

    2011-01-01

    This paper theoretically investigates the effects of crystal field and exchange interaction field on magnetic properties in dysprosium gallium garnet under extreme conditions (low temperatures and high magnetic fields) based on quantum theory. Here, five sets of crystal field parameters are discussed and compared. It demonstrates that, only considering the crystal field effect, the experiments can not be successfully explained. Thus, referring to the molecular field theory, an effective exchange field associated with the Dy—Dy exchange interaction is further taken into account. Under special consideration of crystal field and the exchange interaction field, it obtains an excellent agreement between the theoretical results and experiments, and further confirms that the exchange interaction field between rare-earth ions has great importance to magnetic properties in paramagnetic rare-earth gallium garnets. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  10. The influence of post-annealing treatment on the wettability of Ag+/Na+ ion-exchanged soda-lime glasses

    International Nuclear Information System (INIS)

    Razzaghi, Ahmad; Maleki, Maniya; Azizian-Kalandaragh, Yashar

    2013-01-01

    In this paper, the effect of thermal annealing and the duration of ion-exchange on the wetting parameters of the Ag + /Na + ion-exchanged glasses have been reported. The analysis of wetting angle in different post-annealing temperatures shows that the wetting angle is increased by increasing the annealing temperature. The wetting parameters of Ag + /Na + ion-exchanged glasses at different ion-exchanged periods of time have been also investigated. Scanning electron microscopy (SEM), UV–Visible spectroscopy and Fourier transform infrared (FTIR) spectroscopy have been used for determination of surface morphology and composition analysis of the prepared samples. The results of SEM show changes in the surface of the samples for different post-annealing temperatures. The optical characterization using UV–Vis spectroscopy shows an increase in the intensity of the absorption peak with increasing the ion-exchange duration. The FTIR spectroscopy confirms the formation of silver oxide material on the surface of Ag + /Na + ion-exchanged glasses.

  11. Charge exchange and ionization in atom-multiply-charged ion collisions

    International Nuclear Information System (INIS)

    Presnyakov, L.P.; Uskov, D.B.

    1988-01-01

    This study investigates one-electron transitions to the continuous and discrete spectra induced by a collision of atom A and multiply-charged ion B +Z with nuclear charge Z > 3. An analytical method is developed the charge-exchange reaction; this method is a generalization of the decay model and the approximation of nonadiabatic coupling of two states that are used as limiting cases in the proposed approach

  12. Giant spin torque in hybrids with anisotropic p-d exchange interaction

    Energy Technology Data Exchange (ETDEWEB)

    Korenev, V. L., E-mail: korenev@orient.ioffe.ru [A.F. Ioffe Physical-Technical Institute, Russian Academy of Sciences, 194021 St. Petersburg, Russia and Experimentelle Physik 2, Technische Universitat Dortmund, D-44227 Dortmund (Germany)

    2014-03-03

    Control of magnetic domain wall movement by the spin-polarized current looks promising for creation of a new generation of magnetic memory devices. A necessary condition for this is the domain wall shift by a low-density current. Here, I show that a strongly anisotropic exchange interaction between mobile heavy holes and localized magnetic moments enormously increases the current-induced torque on the domain wall as compared to systems with isotropic exchange. This enables one to control the domain wall motion by current density 10{sup 4} A/cm{sup 2} in ferromagnet/semiconductor hybrids. The experimental observation of the anisotropic torque will facilitate the integration of ferromagnetism into semiconductor electronics.

  13. Description of plasmon-like band in silver clusters: the importance of the long-range Hartree-Fock exchange in time-dependent density-functional theory simulations.

    Science.gov (United States)

    Rabilloud, Franck

    2014-10-14

    Absorption spectra of Ag20 and Ag55(q) (q = +1, -3) nanoclusters are investigated in the framework of the time-dependent density functional theory in order to analyse the role of the d electrons in plasmon-like band of silver clusters. The description of the plasmon-like band from calculations using density functionals containing an amount of Hartree-Fock exchange at long range, namely, hybrid and range-separated hybrid (RSH) density functionals, is in good agreement with the classical interpretation of the plasmon-like structure as a collective excitation of valence s-electrons. In contrast, using local or semi-local exchange functionals (generalized gradient approximations (GGAs) or meta-GGAs) leads to a strong overestimation of the role of d electrons in the plasmon-like band. The semi-local asymptotically corrected model potentials also describe the plasmon as mainly associated to d electrons, though calculated spectra are in fairly good agreement with those calculated using the RSH scheme. Our analysis shows that a portion of non-local exchange modifies the description of the plasmon-like band.

  14. The electron-furfural scattering dynamics for 63 energetically open electronic states

    Science.gov (United States)

    da Costa, Romarly F.; do N. Varella, Márcio T.; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.; Brunger, Michael J.; Lima, Marco A. P.

    2016-03-01

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (Nopen) at either the static-exchange (Nopen ch-SE) or the static-exchange-plus-polarisation (Nopen ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  15. GPS location data enhancement in electronic traffic records.

    Science.gov (United States)

    2013-01-01

    In this project we developed a new GPS-based Geographical Information Exchange : Framework (GIEF) to improve the correctness and accuracy of location data reported on : electronic police forms in Oklahoma. A second major goal was to provide a base le...

  16. Inter-layer Cooper pairing of two-dimensional electrons

    International Nuclear Information System (INIS)

    Inoue, Masahiro; Takemori, Tadashi; Yoshizaki, Ryozo; Sakudo, Tunetaro; Ohtaka, Kazuo

    1987-01-01

    The authors point out the possibility that the high transition temperatures of the recently discovered oxide superconductors are dominantly caused by the inter-layer Cooper pairing of two-dimensional electrons that are coupled through the exchange of three-dimensional phonons. (author)

  17. Optically tunable spin-exchange energy at donor:acceptor interfaces in organic solar cells

    International Nuclear Information System (INIS)

    Li, Mingxing; Wang, Hongfeng; He, Lei; Zang, Huidong; Xu, Hengxing; Hu, Bin

    2014-01-01

    Spin-exchange energy is a critical parameter in controlling spin-dependent optic, electronic, and magnetic properties in organic materials. This article reports optically tunable spin-exchange energy by studying the line-shape characteristics in magnetic field effect of photocurrent developed from intermolecular charge-transfer states based on donor:acceptor (P3HT:PCBM) system. Specifically, we divide magnetic field effect of photocurrent into hyperfine (at low field   10 mT) regimes. We observe that increasing photoexcitation intensity can lead to a significant line-shape narrowing in magnetic field effect of photocurrent occurring at the spin-exchange regime. We analyze that the line-shape characteristics is essentially determined by the changing rate of magnetic field-dependent singlet/triplet ratio when a magnetic field perturbs the singlet-triplet transition through spin mixing. Based on our analysis, the line-shape narrowing results indicate that the spin-exchange energy at D:A interfaces can be optically changed by changing photoexcitation intensity through the interactions between intermolecular charge-transfer states. Therefore, our experimental results demonstrate an optical approach to change the spin-exchange energy through the interactions between intermolecular charge-transfer states at donor:acceptor interface in organic materials.

  18. Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory.

    Science.gov (United States)

    Sharpe, Daniel J; Levy, Mel; Tozer, David J

    2018-02-13

    Levy and Zahariev [Phys. Rev. Lett. 113 113002 (2014)] have proposed a new approach for performing density functional theory calculations, termed direct energy Kohn-Sham (DEKS) theory. In this approach, the electronic energy equals the sum of orbital energies, obtained from Kohn-Sham-like orbital equations involving a shifted Hartree-exchange-correlation potential, which must be approximated. In the present study, density scaling homogeneity considerations are used to facilitate DEKS calculations on a series of atoms and molecules, leading to three nonlocal approximations to the shifted potential. The first two rely on preliminary Kohn-Sham calculations using a standard generalized gradient approximation (GGA) exchange-correlation functional and the results illustrate the benefit of describing the dominant Hartree component of the shift exactly. A uniform electron gas analysis is used to eliminate the need for these preliminary Kohn-Sham calculations, leading to a potential with an unconventional form that yields encouraging results, providing strong motivation for further research in DEKS theory.

  19. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.

    Science.gov (United States)

    Kananenka, Alexei A; Kohut, Sviataslau V; Gaiduk, Alex P; Ryabinkin, Ilya G; Staroverov, Viktor N

    2013-08-21

    Given a set of canonical Kohn-Sham orbitals, orbital energies, and an external potential for a many-electron system, one can invert the Kohn-Sham equations in a single step to obtain the corresponding exchange-correlation potential, vXC(r). For orbitals and orbital energies that are solutions of the Kohn-Sham equations with a multiplicative vXC(r) this procedure recovers vXC(r) (in the basis set limit), but for eigenfunctions of a non-multiplicative one-electron operator it produces an orbital-averaged potential. In particular, substitution of Hartree-Fock orbitals and eigenvalues into the Kohn-Sham inversion formula is a fast way to compute the Slater potential. In the same way, we efficiently construct orbital-averaged exchange and correlation potentials for hybrid and kinetic-energy-density-dependent functionals. We also show how the Kohn-Sham inversion approach can be used to compute functional derivatives of explicit density functionals and to approximate functional derivatives of orbital-dependent functionals.

  20. Peculiarity of electron optical orientation in Hg1-xMnxTe and Hg1-xCdxTe alloys

    International Nuclear Information System (INIS)

    Georgitseh, E.I.; Ivanov-Omskij, V.I.; Pogorletskij, V.M.

    1991-01-01

    To clarify the effect of exchange interaction of electrons with manganese ions on electron spin relaxation, a study was made on optical orientation in Hg 1-x Mn x Te alloy and Hg 1-x Cd x Te alloys with similar parameters of energy spectrum at 4.2 K. It is shown that exchange interaction in semimagnetic Hg 1-x Mn x Te solutions, caused by the presence of manganese ions, reduced the time of spin relaxation. However, this reduction is not sufficient make optical orientation of electrons not observable

  1. Optimization of spring exchange coupled ferrites, studied by in situ neutron diffraction

    DEFF Research Database (Denmark)

    Ahlburg, Jakob; Christensen, Mogens; Granados-Miralles, Cecilia

    origins from the 4f orbitals which can contain up to 14 electrons. But since REM are both expensive and difficult to mine, a great demand has come for cheaper types of magnets with a similar magnetic performance. A candidate could be the transition metal oxides. Here the magnetic contribution origins from...... the magnetic energy product. For the exchange coupling to happen it is crucial to have the right ratio between the hard and the soft phase but also to control the size of the particles since exchange coupling is a very small range effect. In this study, nanoparticles of the spinel CoFe2O4 (hard magnet...

  2. Exploring the microscopic origin of exchange bias with photoelectron emission microscopy (invited)

    International Nuclear Information System (INIS)

    Scholl, A.; Nolting, F.; Stohr, J.; Regan, T.; Luning, J.; Seo, J. W.; Locquet, J.-P.; Fompeyrine, J.; Anders, S.; Ohldag, H.

    2001-01-01

    It is well known that magnetic exchange coupling across the ferromagnet - antiferromagnet interface results in an unidirectional magnetic anisotropy of the ferromagnetic layer, called exchange bias. Despite large experimental and theoretical efforts, the origin of exchange bias is still controversial, mainly because detection of the interfacial magnetic structure is difficult. We have applied photoelectron emission microscopy (PEEM) on several ferromagnet - antiferromagnet thin-film structures and microscopically imaged the ferromagnetic and the antiferromagnetic structure with high spatial resolution. Taking advantage of the surface sensitivity and elemental specificity of PEEM, the magnetic configuration and critical properties such as the Neel temperature were determined on LaFeO 3 and NiO thin films and single crystals. On samples coated with a ferromagnetic layer, we microscopically observe exchange coupling across the interface, causing a clear correspondence of the domain structures in the adjacent ferromagnet and antiferromagnet. Field dependent measurements reveal a strong uniaxial anisotropy in individual ferromagnetic domains. A local exchange bias was observed even in not explicitly field-annealed samples, caused by interfacial uncompensated magnetic spins. These experiments provide highly desired information on the relative orientation of electron spins at the interface between ferromagnets and antiferromagnets. [copyright] 2001 American Institute of Physics

  3. Radiocarbon detection by ion charge exchange mass spectrometry

    International Nuclear Information System (INIS)

    Hotchkis, Michael; Wei, Tao

    2007-01-01

    A method for detection of radiocarbon at low levels is described and the results of tests are presented. We refer to this method as ion charge exchange mass spectrometry (ICE-MS). The ICE-MS instrument is a two stage mass spectrometer. In the first stage, molecular interferences which would otherwise affect radiocarbon detection at mass 14 are eliminated by producing high charge state ions directly in the ion source (charge state ≥2). 14 N interference is eliminated in the second stage by converting the beam to negative ions in a charge exchange cell. The beam is mass-analysed at each stage. We have built a test apparatus consisting of an electron cyclotron resonance ion source and a pair of analysing magnets with a charge exchange cell in between, followed by an electrostatic analyser to improve the signal to background ratio. With this apparatus we have measured charge exchange probabilities for (C n+ → C - ) from 4.5 to 40.5 keV (n = 1-3). We have studied the sources of background including assessment of limits for nitrogen interference by searching for negative ions from charge exchange of 14 N ions. Our system has been used to detect 14 C in enriched samples of CO 2 gas with 14 C/ 12 C isotopic ratio down to the 10 -9 level. Combined with a measured sample consumption rate of 4 ng/s, this corresponds to a capability to detect transient signals containing only a few μBq of 14 C activity, such as may be obtained from chromatographic separation. The method will require further development to match the sensitivity of AMS with a gas ion source; however, even in its present state its sensitivity is well suited to tracer studies in biomedical research and drug development

  4. Minimizing Back Exchange in the Hydrogen Exchange-Mass Spectrometry Experiment

    Science.gov (United States)

    Walters, Benjamin T.; Ricciuti, Alec; Mayne, Leland; Englander, S. Walter

    2012-12-01

    The addition of mass spectrometry (MS) analysis to the hydrogen exchange (HX) proteolytic fragmentation experiment extends powerful HX methodology to the study of large biologically important proteins. A persistent problem is the degradation of HX information due to back exchange of deuterium label during the fragmentation-separation process needed to prepare samples for MS measurement. This paper reports a systematic analysis of the factors that influence back exchange (solution pH, ionic strength, desolvation temperature, LC column interaction, flow rates, system volume). The many peptides exhibit a range of back exchange due to intrinsic amino acid HX rate differences. Accordingly, large back exchange leads to large variability in D-recovery from one residue to another as well as one peptide to another that cannot be corrected for by reference to any single peptide-level measurement. The usual effort to limit back exchange by limiting LC time provides little gain. Shortening the LC elution gradient by 3-fold only reduced back exchange by ~2 %, while sacrificing S/N and peptide count. An unexpected dependence of back exchange on ionic strength as well as pH suggests a strategy in which solution conditions are changed during sample preparation. Higher salt should be used in the first stage of sample preparation (proteolysis and trapping) and lower salt (<20 mM) and pH in the second stage before electrospray injection. Adjustment of these and other factors together with recent advances in peptide fragment detection yields hundreds of peptide fragments with D-label recovery of 90 % ± 5 %.

  5. Minimizing back exchange in the hydrogen exchange-mass spectrometry experiment.

    Science.gov (United States)

    Walters, Benjamin T; Ricciuti, Alec; Mayne, Leland; Englander, S Walter

    2012-12-01

    The addition of mass spectrometry (MS) analysis to the hydrogen exchange (HX) proteolytic fragmentation experiment extends powerful HX methodology to the study of large biologically important proteins. A persistent problem is the degradation of HX information due to back exchange of deuterium label during the fragmentation-separation process needed to prepare samples for MS measurement. This paper reports a systematic analysis of the factors that influence back exchange (solution pH, ionic strength, desolvation temperature, LC column interaction, flow rates, system volume). The many peptides exhibit a range of back exchange due to intrinsic amino acid HX rate differences. Accordingly, large back exchange leads to large variability in D-recovery from one residue to another as well as one peptide to another that cannot be corrected for by reference to any single peptide-level measurement. The usual effort to limit back exchange by limiting LC time provides little gain. Shortening the LC elution gradient by 3-fold only reduced back exchange by ~2%, while sacrificing S/N and peptide count. An unexpected dependence of back exchange on ionic strength as well as pH suggests a strategy in which solution conditions are changed during sample preparation. Higher salt should be used in the first stage of sample preparation (proteolysis and trapping) and lower salt (<20 mM) and pH in the second stage before electrospray injection. Adjustment of these and other factors together with recent advances in peptide fragment detection yields hundreds of peptide fragments with D-label recovery of 90% ± 5%.

  6. Patching the Exchange-Correlation Potential in Density Functional Theory.

    Science.gov (United States)

    Huang, Chen

    2016-05-10

    A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.

  7. How did China's foreign exchange reform affect the efficiency of foreign exchange market?

    Science.gov (United States)

    Ning, Ye; Wang, Yiming; Su, Chi-wei

    2017-10-01

    This study compares the market efficiency of China's onshore and offshore foreign exchange markets before and after the foreign exchange reform on August 11, 2015. We use the multifractal detrended fluctuation analysis of the onshore and offshore RMB/USD spot exchange rate series as basis. We then find that the onshore foreign exchange market before the reform has the lowest market efficiency, which increased after the reform. The offshore foreign exchange market before the reform has the highest market efficiency, which dropped after the reform. This finding implies the increased efficiency of the onshore foreign exchange market and the loss of efficiency in the offshore foreign exchange market. We also find that the offshore foreign exchange market is more efficient than the onshore market and that the gap shrank after the reform. Changes in intervention of the People's Bank of China since the reform is a possible explanation for the changes in the efficiency of the foreign exchange market.

  8. Model-independent determination of the two-photon exchange contribution to hyperfine splitting in muonic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Peset, Clara; Pineda, Antonio [Grup de Física Teòrica, Dept. Física and IFAE-BIST, Universitat Autònoma de Barcelona,E-08193 Bellaterra (Barcelona) (Spain)

    2017-04-11

    We obtain a model-independent prediction for the two-photon exchange contribution to the hyperfine splitting in muonic hydrogen. We use the relation of the Wilson coefficients of the spin-dependent dimension-six four-fermion operator of NRQED applied to the electron-proton and to the muon-proton sectors. Their difference can be reliably computed using chiral perturbation theory, whereas the Wilson coefficient of the electron-proton sector can be determined from the hyperfine splitting in hydrogen. This allows us to give a precise model-independent determination of the Wilson coefficient for the muon-proton sector, and consequently of the two-photon exchange contribution to the hyperfine splitting in muonic hydrogen, which reads δĒ{sub pμ,HF}{sup TPE}(nS)=−(1/(n{sup 3}))1.161(20) meV. Together with the associated QED analysis, we obtain a prediction for the hyperfine splitting in muonic hydrogen that reads E{sub pμ,HF}{sup th}(1S)=182.623(27) meV and E{sub pμ,HF}{sup th}(2S)=22.8123(33) meV. The error is dominated by the two-photon exchange contribution.

  9. Investigating the effects of liquidity and exchange rate on Tehran Stock Exchange

    Directory of Open Access Journals (Sweden)

    Younos Vakil Alroaia

    2014-08-01

    Full Text Available This paper presents an empirical investigation to study the effects of two macroeconomic factors; namely exchange rate and liquidity on stock index. The proposed study was applied in Iran and on major index of Tehran Stock Exchange over the period 2001-2011. They reported that the currency exchange maintained negative impact on stock exchange for the period of investigation. This is due to the fact that when currency devalued, working capital decreases and firms did not enough money to purchase raw materials, pay wages, etc. In addition, liquidity marinated a direct and positive relationship with exchange index. However, the impact of liquidity seems to be bigger than currency exchange.

  10. Enhanced bimolecular exchange reaction through programmed coordination of a five-coordinate oxovanadium complex for efficient redox mediation in dye-sensitized solar cells.

    Science.gov (United States)

    Oyaizu, Kenichi; Hayo, Noriko; Sasada, Yoshito; Kato, Fumiaki; Nishide, Hiroyuki

    2013-12-07

    Electrochemical reversibility and fast bimolecular exchange reaction found for VO(salen) gave rise to a highly efficient redox mediation to enhance the photocurrent of a dye-sensitized solar cell, leading to an excellent photovoltaic performance with a conversion efficiency of 5.4%. A heterogeneous electron-transfer rate constant at an electrode (k0) and a second-order rate constant for an electron self-exchange reaction (k(ex)) were proposed as key parameters that dominate the charge transport property, which afforded a novel design concept for the mediators based on their kinetic aspects.

  11. Theory and design of heat exchanger : air cooled plate, spiral heat exchanger

    International Nuclear Information System (INIS)

    Min, Ui Dong

    1960-02-01

    This book deals with air cooled heat exchanger, which introduces heat rejection system, wet surface cooler in new from, explanation of structure and design, materials, basic design like plenums chambers and fan ring, finned tube fouling factor, airflow in forced draft and fan design. It also tells of plate heat exchanger and spiral heat exchanger giving descriptions of summary, selection, basic design, device and safety function, maintenance, structure of plate heat exchanger, frames and connector plate and, basic things of spiral tube heat exchanger.

  12. Reactor fuel exchanging facility

    International Nuclear Information System (INIS)

    Kubota, Shin-ichi.

    1981-01-01

    Purpose: To enable operation of an emergency manual operating mechanism for a fuel exchanger with all operatorless trucks and remote operation of a manipulator even if the exchanger fails during the fuel exchanging operation. Constitution: When a fuel exchanging system fails while connected to a pressure tube of a nuclear reactor during a fuel exchanging operation, a stand-by self-travelling truck automatically runs along a guide line to the position corresponding to the stopping position at that time of the fuel exchanger based on a command from a central control chamber. At this time the truck is switched to manual operation, and approaches the exchanger while being monitored through a television camera and then stops. Then, a manipurator is connected to the emergency manual operating mechanism of the exchanger, and is operated through necessary emergency steps by driving the snout, the magazine, the grab or the like in the exchanger in response to the problem, and necessary operations for the emergency treatment are thus performed. (Sekiya, K.)

  13. Newly available technologies present expanding opportunities for scientific and technical information exchange

    Science.gov (United States)

    Tolzman, Jean M.

    1993-01-01

    The potential for expanded communication among researchers, scholars, and students is supported by growth in the capabilities for electronic communication as well as expanding access to various forms of electronic interchange and computing capabilities. Increased possibilities for information exchange, collegial dialogue, collaboration, and access to remote resources exist as high-speed networks, increasingly powerful workstations, and large, multi-user computational facilities are more frequently linked and more commonly available. Numerous writers speak of the telecommunications revolution and its impact on the development and dissemination of knowledge and learning. One author offers the phrase 'Scholarly skywriting' to represent a new form of scientific communication that he envisions using electronic networks. In the United States (U.S.), researchers associated with the National Science Foundation (NSF) are exploring 'nationwide collaboratories' and 'digital collaboration.' Research supported by the U.S. National Aeronautics and Space Administration (NASA) points to a future where workstations with built-in audio, video monitors, and screen sharing protocols are used to support collaborations with colleagues located throughout the world. Instruments and sensors located worldwide will produce data streams that will be brought together, analyzed, and distributed as new findings. Researchers will have access to machines that can supply domain-specific information in addition to locator and directory assistance. New forms of electronic journals will emerge and provide opportunities for researchers and scientists to exchange information electronically and interactively in a range of structures and formats. Ultimately, the wide-scale use of these technologies in the dissemination of research results and the stimulation of collegial dialogue will change the way we represent and express our knowledge of the world. A new paradigm will evolve--perhaps a truly worldwide

  14. Theory and design of heat exchanger : Double pipe and heat exchanger in abnormal condition

    International Nuclear Information System (INIS)

    Min, Ui Dong

    1996-02-01

    This book introduces theory and design of heat exchanger, which includes HTRI program, multiple tube heat exchanger external heating, theory of heat transfer, basis of design of heat exchanger, two-phase flow, condensation, boiling, material of heat exchanger, double pipe heat exchanger like hand calculation, heat exchanger in abnormal condition such as Jackets Vessel, and Coiled Vessel, design and summary of steam tracing.

  15. Three-electron spin qubits

    Science.gov (United States)

    Russ, Maximilian; Burkard, Guido

    2017-10-01

    The goal of this article is to review the progress of three-electron spin qubits from their inception to the state of the art. We direct the main focus towards the exchange-only qubit (Bacon et al 2000 Phys. Rev. Lett. 85 1758-61, DiVincenzo et al 2000 Nature 408 339) and its derived versions, e.g. the resonant exchange (RX) qubit, but we also discuss other qubit implementations using three electron spins. For each three-spin qubit we describe the qubit model, the envisioned physical realization, the implementations of single-qubit operations, as well as the read-out and initialization schemes. Two-qubit gates and decoherence properties are discussed for the RX qubit and the exchange-only qubit, thereby completing the list of requirements for quantum computation for a viable candidate qubit implementation. We start by describing the full system of three electrons in a triple quantum dot, then discuss the charge-stability diagram, restricting ourselves to the relevant subsystem, introduce the qubit states, and discuss important transitions to other charge states (Russ et al 2016 Phys. Rev. B 94 165411). Introducing the various qubit implementations, we begin with the exchange-only qubit (DiVincenzo et al 2000 Nature 408 339, Laird et al 2010 Phys. Rev. B 82 075403), followed by the RX qubit (Medford et al 2013 Phys. Rev. Lett. 111 050501, Taylor et al 2013 Phys. Rev. Lett. 111 050502), the spin-charge qubit (Kyriakidis and Burkard 2007 Phys. Rev. B 75 115324), and the hybrid qubit (Shi et al 2012 Phys. Rev. Lett. 108 140503, Koh et al 2012 Phys. Rev. Lett. 109 250503, Cao et al 2016 Phys. Rev. Lett. 116 086801, Thorgrimsson et al 2016 arXiv:1611.04945). The main focus will be on the exchange-only qubit and its modification, the RX qubit, whose single-qubit operations are realized by driving the qubit at its resonant frequency in the microwave range similar to electron spin resonance. Two different types of two-qubit operations are presented for the exchange

  16. An Observation of a Transverse to Longitudinal Emittance Exchange at the Fermilab A0 Photoinjector

    Energy Technology Data Exchange (ETDEWEB)

    Koeth, Timothy W [State Univ. of New Jersey, New Brunswick, NJ (United States)

    2009-05-01

    An experimental program to perform a proof of principle of transverse to longitudinal emittance exchangexin ↔ ϵzout and ϵxin ↔ ϵzout) has been developed at the Fermilab A0 Photoinjector. A new beamline, including two magnetic dogleg channels and a TM110 deflecting mode radio frequency cavity, were constructed for the emittance exchange experiment. The first priority was a measurement of the Emittance Exchange beamline transport matrix. The method of difference orbits was used to measure the transport matrix. Through varying individual beam input vector elements, such as xin, x'in, yin, y'in, zin, or δin, and measuring the changes in all of the beam output vector's elements, xout, x'out, yout, y'out, zout, δout, the full 6 x 6 transport matrix was measured. The measured emittance exchange transport matrix was in overall good agreement with our calculated transport matrix. A direct observation of an emittance exchange was performed by measuring the electron beam's characteristics before and after the emittance exchange beamline. Operating with a 14.3 MeV, 250pC electron bunch, ϵzin of 21.1 ± 1.5 mm • mrad was observed to be exchanged with ϵxout of 20.8 ± 2.00 mm • mrad. Diagnostic limitations in the ϵzout measurement did not account for an energy-time correlation, thus potentially returning values larger than the actual longitudinal emittance. The ϵxin of 4.67 ± 0.22 mm • mrad was observed to be exchanged with ϵzout of 7.06 ± 0.43 mm • mrad. The apparent ϵzoutgrowth is consistent with calculated values in which the correlation term is neglected.

  17. Dynamics of ligand exchange and association processes in solutions of transition 3d-metal fluorides

    International Nuclear Information System (INIS)

    Nazmutdinova, G.A.; Shtyrlin, V.G.; Zakharov, A.V.; Sal'nikov, Yu.I.

    1993-01-01

    By 19 NMR in combination with ESR spectroscopy rate constants and activation parameters of fluoride-ion exchange reactions in solutions of VOF 5 3- and FeF 6 3- complexes were determined. Associative character of the studied reactions of ligand exchange is shown. Dependence of fluoride complex reactivity on the charge, electron structure of the central ion and formation of hydrogen bonds of coordinated F - ions with solvent molecules was demonstrated. Stability constants, rates of formation and dissociation of intercomplex associates in fluoride solutions were ascertained

  18. Balmer line diagnostic of electron heating at collisionless shocks in supernova remnants

    International Nuclear Information System (INIS)

    Rakowski, C.

    2008-01-01

    The mechanism and extent of electron heating at collisionless shocks has recently been under intense investigation. H α Balmer line emission is excited immediately behind the shock front and provides the best diagnostic for the electron to proton temperature ratio at supernova remnant shocks. Two components of emission are produced, a narrow component from electron and proton impact excitation of cold neutrals, and a broad component produced through charge exchange between the cold neutrals and the shock heated protons. Thus the broad and narrow component fluxes reflect the competition between electron and proton impact ionization, electron and proton impact excitation and charge exchange. This diagnostic has led to the discovery of an approximate inverse square relationship between the electron to proton temperature ratio and the shock velocity. In turn, this implies a constant level of electron heating, independent of shock speed above ∼ 450 km/s. In this talk I will present the observational evidence to date. Time permitting, I will introduce how lower-hybrid waves in an extended cosmic ray precursor could explain such a relationship, and how this and other parameters in the H α profile might relate to properties of cosmic rays and magnetic field amplification ahead of the shock. (author)

  19. The Metaphysics of Economic Exchanges

    Directory of Open Access Journals (Sweden)

    Massin Olivier

    2017-05-01

    Full Text Available What are economic exchanges? The received view has it that exchanges are mutual transfers of goods motivated by inverse valuations thereof. As a corollary, the standard approach treats exchanges of services as a subspecies of exchanges of goods. We raise two objections against this standard approach. First, it is incomplete, as it fails to take into account, among other things, the offers and acceptances that lie at the core of even the simplest cases of exchanges. Second, it ultimately fails to generalize to exchanges of services, in which neither inverse preferences nor mutual transfers hold true. We propose an alternative definition of exchanges, which treats exchanges of goods as a special case of exchanges of services and which builds in offers and acceptances. According to this theory: (i The valuations motivating exchanges are propositional and convergent rather than objectual and inverse; (ii All exchanges of goods involve exchanges of services/actions, but not the reverse; (iii Offers and acceptances, together with the contractual obligations and claims they bring about, lie at the heart of all cases of exchange.

  20. Concentration of ions Co(II), Ni(II) at the Tokem-250 carboxylic cation exchange for catalysts development

    Science.gov (United States)

    Zharkova, Valentina; Bobkova, Ludmila; Brichkov, Anton; Kozik, Vladimir

    2017-11-01

    Sorption and catalytic properties of the cation exchanger are investigated. It was found that the Tokem-250 has a wide operating range of pH. The value of the effective ionization constant of the functional groups of the cation exchanger (pKa) is 6.59. The Tokem-250 cation exchanger exhibits selectivity to Ni2+ ions to Co2+ (D˜103). This is probably due to the stability of ion-exchange complexes detected by the method of diffuse reflectance electron spectroscopy (ESDD). According to these data, for Co2+ ions, in contrast to Ni2+, tetragonal distortion of octahedral coordination is characteristic, which has a positive effect on the stability of complexes with Co2+. To obtain spherical catalysts on the basis of Tokem-250, cobalt-containing samples of cation exchanger were used. The developed spherical materials have catalytic activity in the reactions of deep and partial oxidation of n-heptane.

  1. Marriage exchanges, seed exchanges, and the dynamics of manioc diversity.

    Science.gov (United States)

    Delêtre, Marc; McKey, Doyle B; Hodkinson, Trevor R

    2011-11-08

    The conservation of crop genetic resources requires understanding the different variables-cultural, social, and economic-that impinge on crop diversity. In small-scale farming systems, seed exchanges represent a key mechanism in the dynamics of crop genetic diversity, and analyzing the rules that structure social networks of seed exchange between farmer communities can help decipher patterns of crop genetic diversity. Using a combination of ethnobotanical and molecular genetic approaches, we investigated the relationships between regional patterns of manioc genetic diversity in Gabon and local networks of seed exchange. Spatially explicit Bayesian clustering methods showed that geographical discontinuities of manioc genetic diversity mirror major ethnolinguistic boundaries, with a southern matrilineal domain characterized by high levels of varietal diversity and a northern patrilineal domain characterized by low varietal diversity. Borrowing concepts from anthropology--kinship, bridewealth, and filiation--we analyzed the relationships between marriage exchanges and seed exchange networks in patrilineal and matrilineal societies. We demonstrate that, by defining marriage prohibitions, kinship systems structure social networks of exchange between farmer communities and influence the movement of seeds in metapopulations, shaping crop diversity at local and regional levels.

  2. Role of nonlocal exchange correlation in activated adsorption

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    1993-01-01

    The barrier for dissociative adsorption of H-2 on Al(110) has been calculated within the generalized gradient approximation. A pronounced increase of the barrier height is found compared with what is calculated in the local density approximation (LDA). The apparent LDA underestimation...... of the barrier height is shown to be intimately linked with the LDA underbinding of core electrons and we suggest it to be a general phenomenon not limited to the particular nonlocal exchange-correlation approximation used or the particular system studied....

  3. Review and Outlook of China Electronic and IT Industry Footprints in IEC International Standardization Activities

    Institute of Scientific and Technical Information of China (English)

    Hu Jingping

    2006-01-01

    @@ Year 2006 is the year marking the 100th anniversary of the founding of International Electrotechnical Commission (IEC). IEC is mainly engaged in the international standardization for electrical and electronic technology field aiming at promoting international trade and technology cooperation and exchange, improving product and service quality, upgrading productivity and protecting the environment as well as human health and safety. Most countries worldwide adopt standards developed and promulgated by IEC, providing a platform to international trade and technical exchange. China has being a member since 1957. Electronic and IT are the most developed and energetic filed in recent decades. Number of IEC TC/SC specialized in electronic and IT amounts up to 52.

  4. Study of kinetics, equilibrium and isotope exchange in ion exchange systems Pt. 6

    International Nuclear Information System (INIS)

    Plicka, J.; Stamberg, K.; Cabicar, J.; Gosman, A.

    1986-01-01

    The description of kinetics of ion exchange in ternary system was based upon three Nernst-Planck equations, each of them describing the particle diffusion flux of a given counterion as an independent process. For experimental verification, the strongly acidic cation exchanger OSTION KS 08 the shallow-bed technique, and 0.2 mol x dm -3 aqueous nitrate solutions were chosen. The kinetics of ion exchange in the system of cations Na + - Mg 2+ - UO 2 2+ was studied. The values of diffusion coefficients obtained by evaluating of kinetics of isotope exchange and binary ion exchange were used for calculation. The comparison of calculated exchange rate curves with the experimental ones was made. It was found that the exchanging counterions were affected by each other. (author)

  5. Quantification of exchangeable and non-exchangeable organically bound tritium (OBT) in vegetation

    International Nuclear Information System (INIS)

    Kim, S.B.; Korolevych, V.

    2013-01-01

    The objective of this study is to quantify the relative amounts of exchangeable organically bound tritium (OBT) and non-exchangeable OBT in various vegetables. A garden plot at Perch Lake, where tritium levels are slightly elevated due to releases of tritium from a nearby nuclear waste management area and Chalk River Laboratories (CRL) operations, was used to cultivate a variety of vegetables. Five different kinds of vegetables (lettuce, cabbage, tomato, radish and beet) were studied. Exchangeable OBT behaves like tritium in tissue free water in living organisms and, based on past measurements, accounts for about 20% of the total tritium in dehydrated organic materials. In this study, the percentage of the exchangeable OBT was determined to range from 20% to 57% and was found to depend on the type of vegetables as well as the sequence of the plants exposure to HTO. -- Highlights: ► This study was to quantify the amount of exchangeable OBT compared to non-exchangeable OBT in vegetables. ► The percentage of exchangeable OBT varied between vegetable types and HTO exposure conditions. ► Exchangeable OBT varied from 20 to 36% in un-treated vegetables and from 30 to 57% in treated vegetables

  6. Topological Phase Transitions in Zinc-Blende Semimetals Driven Exclusively by Electronic Temperature

    Science.gov (United States)

    Trushin, Egor; Görling, Andreas

    2018-04-01

    We show that electronic phase transitions in zinc-blende semimetals with quadratic band touching (QBT) at the center of the Brillouin zone, like GaBi, InBi, or HgTe, can occur exclusively due to a change of the electronic temperature without the need to involve structural transformations or electron-phonon coupling. The commonly used Kohn-Sham density-functional methods based on local and semilocal density functionals employing the local density approximation (LDA) or generalized gradient approximations (GGAs), however, are not capable of describing such phenomena because they lack an intrinsic temperature dependence and account for temperature only via the occupation of bands, which essentially leads only to a shift of the Fermi level without changing the shape or topology of bands. Kohn-Sham methods using the exact temperature-dependent exchange potential, not to be confused with the Hartree-Fock exchange potential, on the other hand, describe such phase transitions. A simple modeling of correlation effects can be achieved by screening of the exchange. In the considered zinc-blende compounds the QBT is unstable at low temperatures and a transition to electronic states without QBT takes place. In the case of HgTe and GaBi Weyl points of type I and type II, respectively, emerge during the transitions. This demonstrates that Kohn-Sham methods can describe such topological phase transitions provided they are based on functionals more accurate than those within the LDA or GGA. Moreover, the electronic temperature is identified as a handle to tune topological materials.

  7. Horizontal Curve Virtual Peer Exchange : an RSPCB Peer Exchange

    Science.gov (United States)

    2014-06-01

    This report summarizes the Horizontal Curve Virtual Peer Exchange sponsored by the Federal Highway Administration (FHWA) Office of Safetys Roadway Safety Professional Capacity Building Program on June 17, 2014. This virtual peer exchange was the f...

  8. Interest Rate Rules, Exchange Market Pressure, and Successful Exchange Rate Management

    NARCIS (Netherlands)

    Klaassen, F.; Mavromatis, K.

    2016-01-01

    Central banks with an exchange rate objective set the interest rate in response to what they call ''pressure.'' Instead, existing interest rate rules rely on the exchange rate minus its target. To stay closer to actual policy, we introduce a rule that uses exchange market pressure (EMP), the

  9. Extended screened exchange functional derived from transcorrelated density functional theory.

    Science.gov (United States)

    Umezawa, Naoto

    2017-09-14

    We propose a new formulation of the correlation energy functional derived from the transcorrelated method in use in density functional theory (TC-DFT). An effective Hamiltonian, H TC , is introduced by a similarity transformation of a many-body Hamiltonian, H, with respect to a complex function F: H TC =1FHF. It is proved that an expectation value of H TC for a normalized single Slater determinant, D n , corresponds to the total energy: E[n] = ⟨Ψ n |H|Ψ n ⟩/⟨Ψ n |Ψ n ⟩ = ⟨D n |H TC |D n ⟩ under the two assumptions: (1) The electron density nr associated with a trial wave function Ψ n = D n F is v-representable and (2) Ψ n and D n give rise to the same electron density nr. This formulation, therefore, provides an alternative expression of the total energy that is useful for the development of novel correlation energy functionals. By substituting a specific function for F, we successfully derived a model correlation energy functional, which resembles the functional form of the screened exchange method. The proposed functional, named the extended screened exchange (ESX) functional, is described within two-body integrals and is parametrized for a numerically exact correlation energy of the homogeneous electron gas. The ESX functional does not contain any ingredients of (semi-)local functionals and thus is totally free from self-interactions. The computational cost for solving the self-consistent-field equation is comparable to that of the Hartree-Fock method. We apply the ESX functional to electronic structure calculations for a solid silicon, H - ion, and small atoms. The results demonstrate that the TC-DFT formulation is promising for the systematic improvement of the correlation energy functional.

  10. Stability of Trapped Electrons in SiO(2)

    International Nuclear Information System (INIS)

    Fleetwood, D.M.; Winokur, P.S.

    1999-01-01

    Thermally stimulated current and capacitance voltage methods are used to investigate the thermal stability of trapped electrons associated with radiation-induced trapped positive charge in metal-oxide-semiconductor capacitors. The density of deeply trapped electrons in radiation-hardened 45 nm oxides exceeds that of shallow electrons by a factor of ∼3 after radiation exposure, and by up to a factor of 10 or more during biased annealing. Shallow electron traps anneal faster than deep traps, and seem to be at least qualitatively consistent with the model of Lelis et al. Deeper traps maybe part of a fundamentally distinct dipole complex, and/or have shifted energy levels that inhibit charge exchange with the Si

  11. Standardizing exchange formats

    International Nuclear Information System (INIS)

    Lemmel, H.D.; Schmidt, J.J.

    1992-01-01

    An international network of co-operating data centres is described who maintain identical data bases which are simultaneously updated by an agreed data exchange procedure. The agreement covers ''data exchange formats'' which are compatible to the centres' internal data storage and retrieval systems which remain different, optimized at each centre to the available computer facilities and to the needs of the data users. Essential condition for the data exchange is an agreement on common procedures for the data exchange is an agreement on common procedures for the data compilation, including critical data analysis and validation. The systems described (''EXFOR'', ''ENDF'', ''CINDA'') are used for ''nuclear reaction data'', but the principles used for data compilation and exchange should be valid also for other data types. (author). 24 refs, 4 figs

  12. Security in the Dutch electronic patient record system

    NARCIS (Netherlands)

    van 't Noordende, G.

    2010-01-01

    In this article, we analyze the security architecture of the Dutch Electronic Patient Dossier (EPD) system. Intended as a mandatory infrastructure for exchanging medical records of most if not all patients in the Netherlands among authorized parties (particularly, physicians), the EPD has to address

  13. Newly appreciated roles for electrons in ion-atom collisions

    International Nuclear Information System (INIS)

    Sellin, I.A.

    1990-01-01

    Since the previous Debrecen workshop on High-Energy Ion-Atom Collisions there have been numerous experiments and substantial theoretical developments in the fields of fast ion-atom and ion- solid collisions concerned with explicating the previously largely underappreciated role of electrons as ionizing and exciting agents in such collisions. Examples to be discussed include the double electron ionization problem in He; transfer ionization by protons in He; double excitation in He; backward scattering of electrons in He; the role of electron-electron interaction in determining beta parameters for ELC; projectile K ionization by target electrons; electron spin exchange in transfer excitation; electron impact ionization in crystal channels; resonant coherent excitation in crystal channels; excitation and dielectronic recombination in crystal channels; resonant transfer and excitation; the similarity of recoil ion spectra observed in coincidence with electron capture vs. electron loss; and new research on ion-atom collisions at relativistic energies

  14. Two-photon exchange corrections in elastic lepton-proton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Tomalak, Oleksandr; Vanderhaeghen, Marc [Johannes Gutenberg Universitaet Mainz (Germany)

    2015-07-01

    The measured value of the proton charge radius from the Lamb shift of energy levels in muonic hydrogen is in strong contradiction, by 7-8 standard deviations, with the value obtained from electronic hydrogen spectroscopy and the value extracted from unpolarized electron-proton scattering data. The dominant unaccounted higher order contribution in scattering experiments corresponds to the two photon exchange (TPE) diagram. The elastic contribution to the TPE correction was studied with the fixed momentum transfer dispersion relations and compared to the hadronic model with off-shell photon-nucleon vertices. A dispersion relation formalism with one subtraction was proposed. Theoretical predictions of the TPE elastic contribution to the unpolarized elastic electron-proton scattering and polarization transfer observables in the low momentum transfer region were made. The TPE formalism was generalized to the case of massive leptons and the elastic contribution was evaluated for the kinematics of upcoming muon-proton scattering experiment (MUSE).

  15. Electron collisions with F2CO molecules

    Science.gov (United States)

    Freitas, Thiago Corrêa; Barbosa, Alessandra Souza; Bettega, Márcio Henrique Franco

    2017-07-01

    In this paper we present elastic differential, integral, and momentum-transfer cross sections for electron collisions with carbonyl fluoride (F2CO ) molecules for the incident electron's energy from 0.5 eV to 20 eV. The Schwinger multichannel method with pseudopotentials was employed to obtain the cross sections in the static-exchange and static-exchange plus polarization approximations. The present results were compared with the available data in the literature, in particular, with the results of Kaur, Mason, and Antony [Phys. Rev. A 92, 052702 (2015), 10.1103/PhysRevA.92.052702] for the differential, total, and momentum-transfer cross sections. We have found a π* shape resonance centered at 2.6 eV in the B1 symmetry and other resonance, in the B2 symmetry, located at around 9.7 eV. A systematic study of the inclusion of polarization effects was performed in order to have a well balanced description of this negative-ion transient state. The effects of the long-range electric dipole potential were included by the Born closure scheme. Electronic structure calculations were also performed to help in the interpretation of the scattering results, and associate the transient states to the unoccupied orbitals.

  16. Solid-State Additive Manufacturing for Heat Exchangers

    Science.gov (United States)

    Norfolk, Mark; Johnson, Hilary

    2015-03-01

    Energy densities in devices are increasing across many industries including power generation, high power electronics, manufacturing, and automotive. Increasingly, there is a need for very high efficiency thermal management devices that can pull heat out of a small area at higher and higher rates. Metal additive manufacturing (AM) technologies have the promise of creating parts with complex internal geometries required for integral thermal management. However, this goal has not been met due to constraints in fusion-based metal 3D printers. This work presents a new strategy for metal AM of heat exchangers using an ultrasonic sheet lamination approach.

  17. Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

    KAUST Repository

    Schwingenschlö gl, Udo; Schuster, Cosima B.; Fré sard, Raymond

    2009-01-01

    Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare

  18. Configuration interaction in charge exchange spectra of tin and xenon

    Science.gov (United States)

    D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

    2011-06-01

    Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

  19. Magnetic stability in exchange-spring and exchange bias systems after multiple switching cycles.

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, J. S.; Inomata, A.; You, C.-Y.; Pearson, J. E.; Bader, S. D.

    2001-06-01

    We have studied the magnetic stability in exchange bias and exchange spring systems prepared via epitaxial sputter deposition. The two interfacial exchange coupled systems, Fe/Cr(211) double superlattices consisting of a ferromagnetic and an antiferromagnetic Fe/Cr superlattice that are exchange coupled through a Cr spacer, and Sin-Co/Fe exchange-spring bilayer structures with ferromagnetically coupled hard Sin-Co layer and soft Fe layer, were epitaxially grown on suitably prepared Cr buffer layers to give rise to different microstructure and magnetic anisotropy. The magnetic stability was investigated using the magneto-optic Kerr effect during repeated reversal of the soft layer magnetization by field cycling up to 10{sup 7} times. For uniaxial Fe/Cr exchange biased double superlattices and exchange spring bilayers with uniaxial Sin-Co, small but rapid initial decay in the exchange bias field HE and in the remanent magnetization is observed. However, the exchange spring bilayers with biaxial and random in-plane anisotropy in the Sin-Co layer shows gradual decay in H{sub E} and without large reduction of the magnetization. The different decay behaviors are attributed to the different microstructure and spin configuration of the pinning layers.

  20. The effects of real exchange rate misalignment and real exchange volatility on exports

    OpenAIRE

    Diallo, Ibrahima Amadou

    2011-01-01

    This paper uses panel data cointegration techniques to study the impacts of real exchange rate misalignment and real exchange rate volatility on total exports for a panel of 42 developing countries from 1975 to 2004. The results show that both real exchange rate misalignment and real exchange rate volatility affect negatively exports. The results also illustrate that real exchange rate volatility is more harmful to exports than misalignment. These outcomes are corroborated by estimations on s...

  1. Impulse Response of the Exchange Rate Volatility to a Foreign Exchange Intervention Shock

    OpenAIRE

    Hoshikawa, Takeshi

    2009-01-01

    This paper uses Lin's technique (1997) to report on the impulse response function analysis that traces the dynamics of exchange rate volatility from innovations in Japanese foreign exchange intervention. Using a multivariate GARCH model, we employed a volatility impulse response function based on Lin (1997) to detect the impulse response of exchange rate volatility on a one-unit foreign exchange intervention shock. The main findings of t his paper are as follows: (1) a foreign exchange inter...

  2. GEC Plasma Data Exchange Project

    Science.gov (United States)

    Pitchford, L. C.

    2013-08-01

    In 2010 the Gaseous Electronics Conference (GEC), a major international conference for the low temperature plasma science (LTPS) community, initiated the Plasma Data Exchange Project (PDEP). The PDEP is an informal, community-based project that aims to address, at least in part, the well-recognized needs for the community to organize the means of collecting, evaluating and sharing data both for modelling and for interpretation of experiments. The emphasis to date in the PDEP has been on data related to the electron and ion components of these plasmas rather than on the plasma chemistry. At the heart of the PDEP is the open-access website, LXCat [1], developed by researchers at LAPLACE (Laboratoire Plasma et Conversion d'Energie, Toulouse, France). LXCat is a platform for archiving and manipulating collections of data related to electron scattering and transport in cold, neutral gases, organized in databases set-up by individual members or institutions of the LTPS community. At present, 15 databases of electron scattering data, contributed by groups around the world, can be accessed on LXCat. These databases include complete sets of electron cross sections, over an energy range from thermal to nominally 1 keV, for almost 40 ground-state neutral species and partial sets of data for about 30 other neutral, excited and ionized species. 'Complete' implies that all the major electron momentum and energy loss processes are well described in the dataset. Such 'complete' datasets can be used as input to a Boltzmann calculation of the electron energy distribution function (generally non-Maxwellian), and electron transport and rate coefficients can be obtained in pure gases or mixtures by averaging over the distribution function. Online tools enable importing and exporting data, plotting and comparing different sets of data. An online version of the Boltzmann equation solver BOLSIG+ [2] is also available on the LXCat site. Other members of the community have contributed their

  3. Laser - assisted multiphoton ionization of ground state Li{sup +} by electron and positron impact

    Energy Technology Data Exchange (ETDEWEB)

    Deb, S Ghosh; Sinha, C, E-mail: srabanti.ghosh@gmail.co, E-mail: chand_sin@hotmail.co [Theoretical Physics Department, Indian Association for the Cultivation of Science, Kolkata - 700032 (India)

    2009-11-01

    The influence of the laser field on the dynamics of (e, 2e) process of Li{sup +} ion by electron / positron impact is studied for coplanar geometry with laser polarization parallel to the incident momentum. The laser dressed projectile wavefunctions are chosen as Coulomb Volkov (CV) while for ejected electron, modified CV is considered. The target dressing is constructed using the time dependent perturbation theory. Laser field suppresses the FF cross-sections significantly for single photon exchange while for multiple photon exchanges the cross-sections are enhanced. TDCS is quite sensitive with respect to the initial phase of the laser field.

  4. Structural Dynamics Control Allosteric Activation of Cytohesin Family Arf GTPase Exchange Factors

    Energy Technology Data Exchange (ETDEWEB)

    Malaby, Andrew W.; Das, Sanchaita; Chakravarthy, Srinivas; Irving, Thomas C.; Bilsel, Osman; Lambright, David G.

    2018-01-01

    Membrane dynamic processes including vesicle biogenesis depend on Arf guanosine triphosphatase (GTPase) activation by guanine nucleotide exchange factors (GEFs) containing a catalytic Sec7 domain and a membrane-targeting module such as a pleckstrin homology (PH) domain. The catalytic output of cytohesin family Arf GEFs is controlled by autoinhibitory interactions that impede accessibility of the exchange site in the Sec7 domain. These restraints can be relieved through activator Arf-GTP binding to an allosteric site comprising the PH domain and proximal autoinhibitory elements (Sec7-PH linker and C-terminal helix). Small-angle X-ray scattering and negative-stain electron microscopy were used to investigate the structural organization and conformational dynamics of cytohesin-3 (Grp1) in autoinhibited and active states. The results support a model in which hinge dynamics in the autoinhibited state expose the activator site for Arf-GTP binding, while subsequent C-terminal helix unlatching and repositioning unleash conformational entropy in the Sec7-PH linker to drive exposure of the exchange site.

  5. The electron-furfural scattering dynamics for 63 energetically open electronic states

    International Nuclear Information System (INIS)

    Costa, Romarly F. da; Varella, Márcio T. do N; Bettega, Márcio H. F.; Neves, Rafael F. C.; Lopes, Maria Cristina A.; Blanco, Francisco; García, Gustavo; Jones, Darryl B.

    2016-01-01

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C 5 H 4 O 2 ). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N open ) at either the static-exchange (N open  ch-SE) or the static-exchange-plus-polarisation (N open  ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  6. The electron-furfural scattering dynamics for 63 energetically open electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Romarly F. da [Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, Campinas, São Paulo 13083-859 (Brazil); Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André, São Paulo 09210-580 (Brazil); Varella, Márcio T. do N [Instituto de Física, Universidade de São Paulo, CP 66318, São Paulo, São Paulo 05315-970 (Brazil); Bettega, Márcio H. F. [Departamento de Física, Universidade Federal do Paraná, CP 19044, Curitiba, Paraná 81531-990 (Brazil); Neves, Rafael F. C. [Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil); Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Lopes, Maria Cristina A. [Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG 36036-900 (Brazil); Blanco, Francisco [Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid E-28040 (Spain); García, Gustavo [Instituto de Física Fundamental, CSIC, Serrano 113-bis, 28006 Madrid (Spain); Jones, Darryl B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001 (Australia); and others

    2016-03-28

    We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C{sub 5}H{sub 4}O{sub 2}). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N{sub open}) at either the static-exchange (N{sub open} ch-SE) or the static-exchange-plus-polarisation (N{sub open} ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections.

  7. Muonium spin exchange in spin-polarized media: Spin-flip and -nonflip collisions

    International Nuclear Information System (INIS)

    Senba, M.

    1994-01-01

    The transverse relaxation of the muon spin in muonium due to electron spin exchange with a polarized spin-1/2 medium is investigated. Stochastic calculations, which assume that spin exchange is a Poisson process, are carried out for the case where the electron spin polarization of the medium is on the same axis as the applied field. Two precession signals of muonium observed in intermediate fields (B>30 G) are shown to have different relaxation rates which depend on the polarization of the medium. Furthermore, the precession frequencies are shifted by an amount which depends on the spin-nonflip rate. From the two relaxation rates and the frequency shift in intermediate fields, one can determine (i) the encounter rate of muonium and the paramagnetic species, (ii) the polarization of the medium, and most importantly (iii) the quantum-mechanical phase shift (and its sign) associated with the potential energy difference between electron singlet and triplet encounters. Effects of spin-nonflip collisions on spin dynamics are discussed for non-Poisson as well as Poisson processes. In unpolarized media, the time evolution of the muon spin in muonium is not influenced by spin-nonflip collisions, if the collision process is Poissonian. This seemingly obvious statement is not true anymore in non-Poissonian processes, i.e., it is necessary to specify both spin-flip and spin-nonflip rates to fully characterize spin dynamics

  8. Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations

    OpenAIRE

    Ren, Xinguo; Rinke, Patrick; Tkatchenko, Alexandre; Scheffler, Matthias

    2010-01-01

    The random-phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange (EX) energy, represents the state-of-the-art exchange-correlation functional within density-functional theory. However, the standard RPA practice-evaluating both the EX and the RPA correlation energies using Kohn-Sham (KS) orbitals from local or semilocal exchange-correlation functionals-leads to a systematic underbinding of molecules and solids. Here we demonstrate that this behavior ca...

  9. Synthesis and characterization of inorganic ion exchangers based on mixed oxide tin-titanium to be used in recovery of cadmium and nickel and photoluminescent studies

    International Nuclear Information System (INIS)

    Paganini, Paula Pinheiro

    2007-01-01

    This work presents the synthesis, characterization and adsorption studies of inorganic ion exchangers based on mixed tin-titanium oxide for recovery of cadmium and nickel metals from aqueous effluents, discarded in the environment mainly through Ni-Cd battery. The exchangers were synthesized by sol-gel modified method using a mixture of tin(IV) chloride and titanium(III) chloride and ammonium hydroxide, as precursors reagents. The materials obtained: SnO 2 /TiO 2 and SnO 2 /TiO 2 :Eu 3+ were characterized by infrared spectroscopy, thermal analysis, scattering electronic microscopy (SEM), X-ray powder diffraction (XRD) (powder method) and electronic spectroscopy (excitation and emission) for the europium doped exchanger. The same materials also were synthesized in polymeric matrix too and can be used in column, because the synthesized materials showed crystals size in nano metric scale. It was determined by the distribution ratios for metals taking as parameters the influence of pH, the concentration of metals (by adsorption isotherms) and the contact time (by adsorption kinetic). The inorganic ion exchanger presented high exchange capacity with adsorption percent above 90 por cent for the studied conditions, quickly kinetic, heterogeneous exchange surfaces, physic adsorption and spontaneous process of exchange. To the doped exchanger spectroscopy properties were studied and also it was calculated the intensity parameters and it was found a satisfactory quantum yield. (author)

  10. Fragility of ferromagnetic double exchange interactions and pressure tuning of magnetism in 3 d -5 d double perovskite Sr2FeOsO6

    Science.gov (United States)

    Veiga, L. S. I.; Fabbris, G.; van Veenendaal, M.; Souza-Neto, N. M.; Feng, H. L.; Yamaura, K.; Haskel, D.

    2015-06-01

    The ability to tune exchange (magnetic) interactions between 3 d transition metals in perovskite structures has proven to be a powerful route to discovery of novel properties. Here we demonstrate that the introduction of 3 d -5 d exchange pathways in double perovskites enables additional tunability, a result of the large spatial extent of 5 d wave functions. Using x-ray probes of magnetism and structure at high pressure, we show that compression of Sr2FeOsO6 drives an unexpected continuous change in the sign of Fe-Os exchange interactions and a transition from antiferromagnetic to ferrimagnetic order. We analyze the relevant electron-electron interactions, shedding light into fundamental differences with the more thoroughly studied 3 d -3 d systems.

  11. Fine structure of excitons and electron-hole exchange energy in polymorphic CsPbBr3 single nanocrystals.

    Science.gov (United States)

    Ramade, Julien; Andriambariarijaona, Léon Marcel; Steinmetz, Violette; Goubet, Nicolas; Legrand, Laurent; Barisien, Thierry; Bernardot, Frédérick; Testelin, Christophe; Lhuillier, Emmanuel; Bramati, Alberto; Chamarro, Maria

    2018-04-05

    All inorganic CsPbX3 (X = Cl, Br, I) nanocrystals (NCs) belong to the novel class of confined metal-halide perovskites which are currently arousing enthusiasm and stimulating huge activity across several fields of optoelectronics due to outstanding properties. A deep knowledge of the band-edge excitonic properties of these materials is thus crucial to further optimize their performances. Here, high-resolution photoluminescence (PL) spectroscopy of single bromide-based NCs reveals the exciton fine structure in the form of sharp peaks that are linearly polarized and grouped in doublets or triplets, which directly mirror the adopted crystalline structure, tetragonal (D4h symmetry) or orthorhombic (D2h symmetry). Intelligible equations are found that show how the fundamental parameters (spin-orbit coupling, ΔSO, crystal field term, T, and electron-hole exchange energy, J) rule the energy spacings in doublets and triplets. From experimental data, fine estimations of each parameter are obtained. The analysis of the absorption spectra of an ensemble of NCs with a "quasi-bulk" behavior leads to ΔSO = 1.20 ± 0.06 eV and T = -0.34 ± 0.05 eV in CsPbBr3. The study of individual luminescence responses of NCs having sizes comparable to the exciton Bohr diameter, 7 nm, allows us to estimate the value of J to be around ≈3 meV in both tetragonal and orthorhombic phases. This value is already enhanced by confinement.

  12. Electronic band structure of TiFese2 in ferromagnetic phase

    International Nuclear Information System (INIS)

    Jahangirli, Z.A.; Mimura, K.; Shim, Y.; Mamedov, N.T.; Wakita, K.; Orudzhev, G.S.; Jahangirli, Z.A.

    2011-01-01

    Electronic band structure of crystalline TiFeSe 2 has been calculated using full-potential method of Linear Augmented Plane Wave (LAPW) in density-functional approach with exchange-correlation potential taken in Generalized Gradient Approximation (GGA). The chemical bond in TiFeSe 2 is shown to be metallic because energies of 3d-electrons localized at iron atoms are close to Fermi energy level

  13. Improving Information Exchange in the Chicken Processing Sector Using Standardised Data Lists

    Science.gov (United States)

    Donnelly, Kathryn Anne-Marie; van der Roest, Joop; Höskuldsson, Stefán Torfi; Olsen, Petter; Karlsen, Kine Mari

    Research has shown that to improve electronic communication between companies, universal standardised data lists are necessary. In food supply chains in particular there is an increased need to exchange data in the wake of food safety incidents. Food supply chain companies already record numerous measurements, properties and parameters. These records are necessary for legal reasons, labelling, traceability, profiling desirable characteristics, showing compliance and for meeting customer requirements. Universal standards for name and content of each of these data elements would improve information exchange between buyers, sellers, authorities, consumers and other interested parties. A case study, carried out for the chicken sector, attempted to identify the most relevant parameters including which of these were already communicated to external bodies.

  14. Introduction to electronic relaxation in solids: mechanisms and measuring techniques

    International Nuclear Information System (INIS)

    Bonville, P.

    1983-01-01

    The fluctuations of electronic magnetic moments in solids may be investigated by several techniques, either electronic or nuclear. This paper is an introduction of the most frequently encountered paramagnetic relaxation mechanisms (phonons, conduction electrons, exchange or dipolar interactions) in condensed matter, and to the different techniques used for measuring relaxation frequencies: electronic paramagnetic resonance, nuclear magnetic resonance, Moessbauer spectroscopy, inelastic neutron scattering, measurement of longitudinal ac susceptibility and γ-γ perturbed angular correlations. We mainly focus our attention on individual ionic fluctuation spectra, the majority of the experimental work refered to concerning rare earth systems [fr

  15. Contribution of charge-transfer processes to ion-induced electron emission

    International Nuclear Information System (INIS)

    Roesler, M.; Garcia de Abajo, F.J.

    1996-01-01

    Charge changing events of ions moving inside metals are shown to contribute significantly to electron emission in the intermediate velocity regime via electrons coming from projectile ionization. Inclusion of equilibrium charge state fractions, together with two-electron Auger processes and resonant-coherent electron loss from the projectile, results in reasonable agreement with previous calculations for frozen protons, though a significant part of the emission is now interpreted in terms of charge exchange. The quantal character of the surface barrier transmission is shown to play an important role. The theory compares well with experimental observations for H projectiles. copyright 1996 The American Physical Society

  16. Synthesis and anion exchange properties of a Zn/Ni double hydroxide salt with a guarinoite structure

    International Nuclear Information System (INIS)

    Delorme, F.; Seron, A.; Licheron, M.; Veron, E.; Giovannelli, F.; Beny, C.; Jean-Prost, V.; Martineau, D.

    2009-01-01

    In this study, the first route to synthesize a compound with the guarinoite structure (Zn,Co,Ni) 6 (SO 4 )(OH,Cl) 10 .5H 2 O is reported. Zn/Ni guarinoite is obtained from the reaction of NiSO 4 .7H 2 O with solid ZnO in aqueous solution. The resulting green Zn/Ni guarinoite ((Zn 3.52 Ni 1.63 )(SO 4 ) 1.33 (OH 7.64 ).4.67H 2 O) was characterized by X-ray diffraction, infrared spectrometry, UV-Visible spectrometry and thermal analysis. It is shown that its structure is similar to the one described for the layered Zn sulfate hydroxide hydrate, i.e. brucite layers with 1/4 empty octahedra presenting tetrahedrally coordinated divalent atoms above and below the empty octahedra. Ni atoms are located in the octahedra and zinc atoms in tetrahedra and octahedra. In this structure the exchangeable anions are located at the apex of tetrahedra. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations show that the Zn/Ni guarinoite is composed of aggregates of hexagonal plates of several hundreds of nanometers. Due to its interest for industrial or environmental applications, the exchange of sulfate groups by carbonates has been investigated. Results show a limited exchange and a higher affinity of the Zn/Ni guarinoite for sulfates compared to carbonates. - Graphical abstract: SEM micrograph (secondary electrons) of the synthesized Zn/Ni guarinoite showing that aggregates are composed of small plate-like particles.

  17. Two-dimensional exchange and nutation exchange nuclear quadrupole resonance spectroscopy

    International Nuclear Information System (INIS)

    Mackowiak, M.; Sinyavsky, N.; Velikite, N.; Nikolaev, D.

    2002-01-01

    A theoretical treatment of the 2D exchange NQR pulse sequence is presented and applied to a quantitative study of exchange processes in molecular crystals. It takes into account the off-resonance irradiation, which critically influences the spin dynamics. The response to the three-pulse sequence of a system of spins I=3/2 in zero applied field, experiencing electric quadrupole couplings, is analysed. The mixing dynamics by exchange and the expected cross-peak intensities as a function of the frequency offset have been derived. The theory is illustrated by a study of the optimization procedure, which is of crucial importance for the detection of the cross- and diagonal-peaks in a 2D-exchange spectrum. The systems investigated are hexachloroethane and tetrachloroethylene. They show threefold and twofold reorientational jumps about the carbon-carbon axis, respectively. A new method of direct determination of rotational angles based on two-dimensional nutation exchange NQR spectroscopy is proposed. The method involves the detection of exchange processes through NQR nutation spectra recorded after the mixing interval. The response of a system of spins I=3/2 to the three-pulse sequence with increasing pulse widths is analyzed. It is shown that the 2D-nutation exchange NQR spectrum exhibits characteristic ridges, which manifest the motional mechanism in a model-independent fashion. The angles through which the molecule rotates can be read directly from elliptical ridges in the 2D spectrum, which are also sensitive to the asymmetry parameter of the electric field gradient tensor. (orig.)

  18. The transition to electronic communications networks in the secondary treasury market

    OpenAIRE

    Bruce Mizrach; Christopher J. Neely

    2006-01-01

    This article reviews the history of the recent shift to electronic trading in equity, foreign exchange, and fixed-income markets. The authors analyze a new data set: the eSpeed electronic Treasury network. They contrast the market microstructure of the eSpeed trading platform with the traditional voice-assisted networks that report through GovPX. The electronic market (eSpeed) has greater volume, smaller spreads, and a lower estimated trade impact than the voice market (GovPX). ; Appeared ear...

  19. Electronic Data Interchange (EDI) for Libraries and Publishers.

    Science.gov (United States)

    Santosuosso, Joe

    1992-01-01

    Defines electronic data interchange (EDI) as the exchange of data between computer systems without human intervention or interpretation. Standards are discussed; and the implementation of EDI in libraries and the serials publishing community in the areas of orders and acquisitions, claims, and invoice processing is described. (LRW)

  20. Dynamic environmental transmission electron microscopy observation of platinum electrode catalyst deactivation in a proton-exchange-membrane fuel cell.

    Science.gov (United States)

    Yoshida, Kenta; Xudong, Zhang; Bright, Alexander N; Saitoh, Koh; Tanaka, Nobuo

    2013-02-15

    Spherical-aberration-corrected environmental transmission electron microscopy (AC-ETEM) was applied to study the catalytic activity of platinum/amorphous carbon electrode catalysts in proton-exchange-membrane fuel cells (PEMFCs). These electrode catalysts were characterized in different atmospheres, such as hydrogen and air, and a conventional high vacuum of 10(-5) Pa. A high-speed charge coupled device camera was used to capture real-time movies to dynamically study the diffusion and reconstruction of nanoparticles with an information transfer down to 0.1 nm, a time resolution below 0.2 s and an acceleration voltage of 300 kV. With such high spatial and time resolution, AC-ETEM permits the visualization of surface-atom behaviour that dominates the coalescence and surface-reconstruction processes of the nanoparticles. To contribute to the development of robust PEMFC platinum/amorphous carbon electrode catalysts, the change in the specific surface area of platinum particles was evaluated in hydrogen and air atmospheres. The deactivation of such catalysts during cycle operation is a serious problem that must be resolved for the practical use of PEMFCs in real vehicles. In this paper, the mechanism for the deactivation of platinum/amorphous carbon electrode catalysts is discussed using the decay rate of the specific surface area of platinum particles, measured first in a vacuum and then in hydrogen and air atmospheres for comparison.

  1. Noninvasive mapping of water diffusional exchange in the human brain using filter-exchange imaging.

    Science.gov (United States)

    Nilsson, Markus; Lätt, Jimmy; van Westen, Danielle; Brockstedt, Sara; Lasič, Samo; Ståhlberg, Freddy; Topgaard, Daniel

    2013-06-01

    We present the first in vivo application of the filter-exchange imaging protocol for diffusion MRI. The protocol allows noninvasive mapping of the rate of water exchange between microenvironments with different self-diffusivities, such as the intracellular and extracellular spaces in tissue. Since diffusional water exchange across the cell membrane is a fundamental process in human physiology and pathophysiology, clinically feasible and noninvasive imaging of the water exchange rate would offer new means to diagnose disease and monitor treatment response in conditions such as cancer and edema. The in vivo use of filter-exchange imaging was demonstrated by studying the brain of five healthy volunteers and one intracranial tumor (meningioma). Apparent exchange rates in white matter range from 0.8±0.08 s(-1) in the internal capsule, to 1.6±0.11 s(-1) for frontal white matter, indicating that low values are associated with high myelination. Solid tumor displayed values of up to 2.9±0.8 s(-1). In white matter, the apparent exchange rate values suggest intra-axonal exchange times in the order of seconds, confirming the slow exchange assumption in the analysis of diffusion MRI data. We propose that filter-exchange imaging could be used clinically to map the water exchange rate in pathologies. Filter-exchange imaging may also be valuable for evaluating novel therapies targeting the function of aquaporins. Copyright © 2012 Wiley Periodicals, Inc.

  2. An Assessment of Information Exchange Practices, Challenges, and Opportunities to Support US Disease Surveillance in 3 States.

    Science.gov (United States)

    Garcia, Macarena C; Garrett, Nedra Y; Singletary, Vivian; Brown, Sheereen; Hennessy-Burt, Tamara; Haney, Gillian; Link, Kimberly; Tripp, Jennifer; Mac Kenzie, William R; Yoon, Paula

    2017-12-07

    State and local public health agencies collect and use surveillance data to identify outbreaks, track cases, investigate causes, and implement measures to protect the public-s health through various surveillance systems and data exchange practices. The purpose of this assessment was to better understand current practices at state and local public health agencies for collecting, managing, processing, reporting, and exchanging notifiable disease surveillance information. Over an 18-month period (January 2014-June 2015), we evaluated the process of data exchange between surveillance systems, reporting burdens, and challenges within 3 states (California, Idaho, and Massachusetts) that were using 3 different reporting systems. All 3 states use a combination of paper-based and electronic information systems for managing and exchanging data on reportable conditions within the state. The flow of data from local jurisdictions to the state health departments varies considerably. When state and local information systems are not interoperable, manual duplicative data entry and other work-arounds are often required. The results of the assessment show the complexity of disease reporting at the state and local levels and the multiple systems, processes, and resources engaged in preparing, processing, and transmitting data that limit interoperability and decrease efficiency. Through this structured assessment, the Centers for Disease Control and Prevention (CDC) has a better understanding of the complexities for surveillance of using commercial off-the-shelf data systems (California and Massachusetts), and CDC-developed National Electronic Disease Surveillance System Base System. More efficient data exchange and use of data will help facilitate interoperability between National Notifiable Diseases Surveillance Systems.

  3. Electron beam processing of combustion flue gases

    International Nuclear Information System (INIS)

    1987-07-01

    This report contains the papers presented at the consultants' meeting on electron beam processing of combustion flue gases. The meeting provided an excellent opportunity for exchanging information and reviewing the current status of technology development. Characteristics of the electron beam processing recognized by the meeting are: capability of simultaneous removals of SO 2 and NO x , safe technology and simplicity of control, dry process without waste water to be treated, cost benefit of electron beam processing compared with conventional technology and the conversion of SO 2 and NO x to a by-product that can be used as agricultural fertilizer. A separate abstract was prepared for each of the 22 papers in this technical report

  4. 78 FR 16338 - Self-Regulatory Organizations; International Securities Exchange, LLC; Notice of Filing of...

    Science.gov (United States)

    2013-03-14

    ... makers (i.e., Electronic Access Members),\\12\\ and whether a trade is adjusted or busted also differs.\\13... Exchange nullifies obvious error transactions unless all parties to the trade are ISE market makers, in... is an equally valid opposing view because adjustments can result in retail customer orders being...

  5. Density-functional theory based on the electron distribution on the energy coordinate

    Science.gov (United States)

    Takahashi, Hideaki

    2018-03-01

    We developed an electronic density functional theory utilizing a novel electron distribution n(ɛ) as a basic variable to compute ground state energy of a system. n(ɛ) is obtained by projecting the electron density n({\\boldsymbol{r}}) defined on the space coordinate {\\boldsymbol{r}} onto the energy coordinate ɛ specified with the external potential {\\upsilon }ext}({\\boldsymbol{r}}) of interest. It was demonstrated that the Kohn-Sham equation can also be formulated with the exchange-correlation functional E xc[n(ɛ)] that employs the density n(ɛ) as an argument. It turned out an exchange functional proposed in our preliminary development suffices to describe properly the potential energies of several types of chemical bonds with comparable accuracies to the corresponding functional based on local density approximation. As a remarkable feature of the distribution n(ɛ) it inherently involves the spatially non-local information of the exchange hole at the bond dissociation limit in contrast to conventional approximate functionals. By taking advantage of this property we also developed a prototype of the static correlation functional E sc including no empirical parameters, which showed marked improvements in describing the dissociations of covalent bonds in {{{H}}}2,{{{C}}}2{{{H}}}4 and {CH}}4 molecules.

  6. Test results from a helium gas-cooled porous metal heat exchanger

    International Nuclear Information System (INIS)

    North, M.T.; Rosenfeld, J.H.; Youchison, D.L.

    1996-01-01

    A helium-cooled porous metal heat exchanger was built and tested, which successfully absorbed heat fluxes exceeding all previously tested gas-cooled designs. Helium-cooled plasma-facing components are being evaluated for fusion applications. Helium is a favorable coolant for fusion devices because it is not a plasma contaminant, it is not easily activated, and it is easily removed from the device in the event of a leak. The main drawback of gas coolants is their relatively poor thermal transport properties. This limitation can be removed through use of a highly efficient heat exchanger design. A low flow resistance porous metal heat exchanger design was developed, based on the requirements for the Faraday shield for the International Thermonuclear Experimental Reactor (ITER) device. High heat flux tests were conducted on two representative test articles at the Plasma Materials Test Facility (PMTF) at Sandia National Laboratories. Absorbed heat fluxes as high as 40 MW/m 2 were successfully removed during these tests without failure of the devices. Commercial applications for electronics cooling and other high heat flux applications are being identified

  7. Magneto-Spin-Orbit Graphene: Interplay between Exchange and Spin-Orbit Couplings.

    Science.gov (United States)

    Rybkin, Artem G; Rybkina, Anna A; Otrokov, Mikhail M; Vilkov, Oleg Yu; Klimovskikh, Ilya I; Petukhov, Anatoly E; Filianina, Maria V; Voroshnin, Vladimir Yu; Rusinov, Igor P; Ernst, Arthur; Arnau, Andrés; Chulkov, Evgueni V; Shikin, Alexander M

    2018-03-14

    A rich class of spintronics-relevant phenomena require implementation of robust magnetism and/or strong spin-orbit coupling (SOC) to graphene, but both properties are completely alien to it. Here, we for the first time experimentally demonstrate that a quasi-freestanding character, strong exchange splitting and giant SOC are perfectly achievable in graphene at once. Using angle- and spin-resolved photoemission spectroscopy, we show that the Dirac state in the Au-intercalated graphene on Co(0001) experiences giant splitting (up to 0.2 eV) while being by no means distorted due to interaction with the substrate. Our calculations, based on the density functional theory, reveal the splitting to stem from the combined action of the Co thin film in-plane exchange field and Au-induced Rashba SOC. Scanning tunneling microscopy data suggest that the peculiar reconstruction of the Au/Co(0001) interface is responsible for the exchange field transfer to graphene. The realization of this "magneto-spin-orbit" version of graphene opens new frontiers for both applied and fundamental studies using its unusual electronic bandstructure.

  8. Preparation and performance evaluation of novel alkaline stable anion exchange membranes

    Science.gov (United States)

    Irfan, Muhammad; Bakangura, Erigene; Afsar, Noor Ul; Hossain, Md. Masem; Ran, Jin; Xu, Tongwen

    2017-07-01

    Novel alkaline stable anion exchange membranes are prepared from various amounts of N-methyl dipicolylamine (MDPA) and brominated poly (2,6-dimethyl-1,4-phenylene oxide) (BPPO). The dipicolylamine and MDPA are synthesized through condensation reaction and confirmed by 1H NMR spectroscopy. The morphologies of prepared membranes are investigated by atomic force microscopy (AFM), fourier transform infrared spectroscopy (FTIR), 1H NMR spectroscopy and scanning electron microscopy (SEM). The electrochemical and physical properties of AEMs are tested comprising water uptake (WU), ion exchange capacity (IEC), alkaline stability, linear expansion ratio (LER), thermal stability and mechanical stability. The obtained hydroxide conductivity of MDPA-4 is 66.5 mS/cm at 80 °C. The MDPA-4 membrane shows good alkaline stability, high hydroxide conductivity, low methanol permeability (3.43 × 10-7 cm2/s), higher selectivity (8.26 × 107 mS s/cm3), less water uptake (41.1%) and lower linear expansion (11.1%) despite of high IEC value (1.62 mmol/g). The results prove that MDPA membranes have great potential application in anion exchange membrane fuel cell.

  9. Effect of the anisotropy of the electron g-factor in spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Miah, M. Idrish, E-mail: m.miah@griffith.edu.au [Queensland Micro- and Nanotechnology Centre, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); School of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); Department of Physics, University of Chittagong, Chittagong, Chittagong 4331 (Bangladesh); Gray, E. MacA. [Queensland Micro- and Nanotechnology Centre, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); School of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane, QLD 4111 (Australia)

    2010-02-15

    Spin polarization in the presence of an external magnetic field and electric bias in quantum confined semiconductor structures has been studied by time- and polarization-resolved spectrometry. From measurements with angular variations of the magnetic field from the Voigt configuration (VC) it was found that both the frequency ({Omega}) and decay rate ({beta}) of the oscillatory component of the polarization increase with variation of the angle from the VC. Their dependences are discussed based on the electron spin dephasing related to the spread of the electron g-factor (g{sub e}) (i.e. unequal values of the longitudinal (g{sub e||}) and transverse (g{sub e}-perpendicular) components of g{sub e}) and the exchange interaction between the electron and hole spins. It is demonstrated that the increase in {Omega} upon deviation of the magnetic field from the VC relates to the anisotropy of g{sub e} (g{sub e||} and g{sub e}-perpendicular) resulting from the quantum confinement effect. However, the angular dependence on {beta} is related to the residual exchange interaction between the electron spin and rapidly relaxing hole spin.

  10. Optimization of Heat Exchangers

    International Nuclear Information System (INIS)

    Catton, Ivan

    2010-01-01

    The objective of this research is to develop tools to design and optimize heat exchangers (HE) and compact heat exchangers (CHE) for intermediate loop heat transport systems found in the very high temperature reator (VHTR) and other Generation IV designs by addressing heat transfer surface augmentation and conjugate modeling. To optimize heat exchanger, a fast running model must be created that will allow for multiple designs to be compared quickly. To model a heat exchanger, volume averaging theory, VAT, is used. VAT allows for the conservation of mass, momentum and energy to be solved for point by point in a 3 dimensional computer model of a heat exchanger. The end product of this project is a computer code that can predict an optimal configuration for a heat exchanger given only a few constraints (input fluids, size, cost, etc.). As VAT computer code can be used to model characteristics (pumping power, temperatures, and cost) of heat exchangers more quickly than traditional CFD or experiment, optimization of every geometric parameter simultaneously can be made. Using design of experiment, DOE and genetric algorithms, GE, to optimize the results of the computer code will improve heat exchanger design.

  11. Verifier-based three-party authentication schemes using extended chaotic maps for data exchange in telecare medicine information systems.

    Science.gov (United States)

    Lee, Tian-Fu

    2014-12-01

    Telecare medicine information systems provide a communicating platform for accessing remote medical resources through public networks, and help health care workers and medical personnel to rapidly making correct clinical decisions and treatments. An authentication scheme for data exchange in telecare medicine information systems enables legal users in hospitals and medical institutes to establish a secure channel and exchange electronic medical records or electronic health records securely and efficiently. This investigation develops an efficient and secure verified-based three-party authentication scheme by using extended chaotic maps for data exchange in telecare medicine information systems. The proposed scheme does not require server's public keys and avoids time-consuming modular exponential computations and scalar multiplications on elliptic curve used in previous related approaches. Additionally, the proposed scheme is proven secure in the random oracle model, and realizes the lower bounds of messages and rounds in communications. Compared to related verified-based approaches, the proposed scheme not only possesses higher security, but also has lower computational cost and fewer transmissions. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  12. Some new evidence on bond initial public offerings in the Taiwan Stock Exchange: An industrial perspective

    Science.gov (United States)

    Ke, Mei-Chu; Liang Liao, Tung; Hsu, Hong-Ming

    2007-05-01

    This study examines the determinants of types of bonds at the initial public offerings (IPOs) for the Taiwan Stock Exchange (TWSE). From an industrial perspective, R&D expenditures are mainly positively related to issuing straight bonds and future growth opportunities to convertible bonds for electronic firms. In the non-electronic industry, firms with significant financing needs are more likely to issue convertible bonds, whereas those without such requirement are more likely to issue straight bonds. It is also found that electronic firms convey a significant negative signal to the stock market, while non-electronic firms experience an insignificant stock price response surrounding the announcements of the bond IPO.

  13. Electronic Structure of Eu6C60

    Institute of Scientific and Technical Information of China (English)

    WANG Xiao-Xiong; LI Hong-Nian; XU Ya-Bo; WANG Peng; ZHANG Wen-Hua; XU Fa-Qiang

    2009-01-01

    We study the valence band of Eu-intercalated C60 by synchrotron radiation photoelectron spectroscopy to un-derstand the ferromagnetism (FM) and the giant magnetoresistance (GMR) of Eu6C60. The results reveal the semiconducting property and the remarkable 5d6s-π hybridization. Eu-C60 bonding has both ionic and covalent contributions. No more than half the 5d6s electrons transfer from Eu to the LUMO derived band of C60, and the LUMO+1 derived band is not filled. The remaining valence electrons of Eu, together with some π (LUMO, HOMO and HOMO-1) electrons, constitute the covalent bond. The electronic structure implies that the magnetic coupling in Eu6C60 should be through the intra-atomic f-sd exchange and the medium of the π electrons. The possibility of the GMR being tunnelling magnetoresistance is ruled out.

  14. Electronic commerce can cut purchasing costs

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, T.

    1995-06-01

    Electronic commerce could be the most important strategy exercised by utilities involved in transmission and distribution in the next five to ten years. One key element of electronic commerce is electronic data interchange (EDI). EDI is the direct, standardized computer-to-computer exchange of business documents, such as purchase orders, invoices, payments and inventory analysis between trading partners. EDI enables business documents delivery in seconds instead of days. Inventory has been a big expense for utilities, especially in the transmission and distribution area. In order to provide and restore electrical service to customers, utilities have been required to stock high levels of many different items. At times, warehouse personnel have had difficulty determining the minimum quantity needed for a particular part so items are stocked just-in-case.Electronic commerce will allow utilities to more accurately determine minimum stocking requirements and reduce inventory without sacrificing customer service.

  15. Electronic excitation of atoms and molecules by electron impact in a linear algebraic, separable potential approach

    International Nuclear Information System (INIS)

    Collins, L.A.; Schneider, B.I.

    1984-01-01

    The linear algebraic, separable potential approach is applied to the electronic excitation of atoms and molecules by electron impact. By representing the exchange and off-diagonal direct terms on a basis, the standard set of coupled inelastic equations is reduced to a set of elastic inhomogeneous equations. The procedure greatly simplifies the formulation by allowing a large portion of the problem to be handled by standard bound-state techniques and by greatly reducing the order of the scattering equations that must be solved. Application is made to the excitation of atomic hydrogen in the three-state close-coupling (1s, 2s, 2p) approximation. (author)

  16. Ligand and proton exchange dynamics in recombinant human myoglobin mutants.

    Science.gov (United States)

    Lambright, D G; Balasubramanian, S; Boxer, S G

    1989-05-05

    Site-specific mutants of human myoglobin have been prepared in which lysine 45 is replaced by arginine (K45R) and aspartate 60 by glutamate (D60E), in order to examine the influence of these residues and their interaction on the dynamics of the protein. These proteins were studied by a variety of methods, including one and two-dimensional proton nuclear magnetic resonance spectroscopy, exchange kinetics for the distal and proximal histidine NH protons as a function of pH in the met cyano forms, flash photolysis of the CO forms, and ligand replacement kinetics. The electronic absorption and proton nuclear magnetic resonance spectra of the CO forms of these proteins are virtually identical, indicating that the structure of the heme pocket is unaltered by these mutations. There are, however, substantial changes in the dynamics of both CO binding and proton exchange for the mutant K45R, whereas the mutant D60E exhibits behavior indistinguishable from the reference human myoglobin. K45R has a faster CO bimolecular recombination rate and slower CO off-rate relative to the reference. The kinetics for CO binding are independent of pH (6.5 to 10) as well as ionic strength (0 to 1 M-NaCl). The exchange rate for the distal histidine NH is substantially lower for K45R than the reference, whereas the proximal histidine NH exchange rate is unaltered. The exchange behavior of the human proteins is similar to that reported for a comparison of the exchange rates for myoglobins having lysine at position 45 with sperm whale myoglobin, which has arginine at this position. This indicates that the differences in exchange rates reflects largely the Lys----Arg substitution. The lack of a simple correlation for the CO kinetics with this substitution means that these are sensitive to other factors as well. Specific kinetic models, whereby substitution of arginine for lysine at position 45 can affect ligand binding dynamics, are outlined. These experiments demonstrate that a relatively

  17. Spin entanglement in elastic electron scattering from quasi-one electron atoms

    Science.gov (United States)

    Fonseca Dos Santos, Samantha; Bartschat, Klaus

    2017-04-01

    We have extended our work on e-Li collisions to investigate low-energy elastic electron collisions with atomic hydrogen and other alkali targets (Na,K,Rb). These systems have been suggested for the possibility of continuously varying the degree of entanglement between the elastically scattered projectile and the valence electron. In order to estimate how well such a scheme may work in practice, we carried out overview calculations for energies between 0 and 10 eV and the full range of scattering angles 0° -180° . In addition to the relative exchange asymmetry parameter that characterizes the entanglement, we present the differential cross section in order to estimate whether the count rates in the most interesting energy-angle regimes are sufficient to make such experiments feasible in practice. Work supported by the NSF under PHY-1403245.

  18. Measurement and Calculation of Absolute Single- and Multiple-Charge-Exchange Cross Sections for Feq+ Ions Impacting CO and CO2

    Energy Technology Data Exchange (ETDEWEB)

    Simcic, J. [Jet Propulsion Laboratory/Caltech; Schultz, David Robert [ORNL; Mawhorter, R. J. [Pomona College; Cadez, I. [Jozef Stefan Institute, Slovenia; Greenwood, J. B. [Queen' s University, Belfast; Chutjian, A. [Jet Propulsion Laboratory/Caltech; Lisse, Carey M. [Johns Hopkins University; Smith, S. J. [Indiana Wesleyan University, Marion

    2010-01-01

    Absolute cross sections are reported for single, double, and triple charge exchange of Feq+ (q=5- 13) ions with CO and CO2. The highly-charged Fe ions are generated in an electron cyclotron resonance ion source. Absolute data are derived from knowledge of the target gas pressure, target path length, and incident and charge-exchanged ion currents. Experimental results are compared with new calculations of these cross sections in the n-electron classical trajectory Monte-Carlo approximation, in which the ensuing radiative and non-radiative cascades are approximated with scaled hydrogenic transition probabilities and scaled Auger rates. The present data are needed in astrophysical applications of solar- and stellar-wind charge-exchange with comets, planetary atmospheres, and circumstellar clouds.

  19. Electron scattering and transport in liquid argon

    Energy Technology Data Exchange (ETDEWEB)

    Boyle, G. J.; Cocks, D. G.; White, R. D. [College of Science, Technology and Engineering, James Cook University, Townsville 4810 (Australia); McEachran, R. P. [Research School of Physical Sciences and Engineering, Australian National University, Canberra ACT 0200 (Australia)

    2015-04-21

    The transport of excess electrons in liquid argon driven out of equilibrium by an applied electric field is revisited using a multi-term solution of Boltzmann’s equation together with ab initio liquid phase cross-sections calculated using the Dirac-Fock scattering equations. The calculation of liquid phase cross-sections extends previous treatments to consider multipole polarisabilities and a non-local treatment of exchange, while the accuracy of the electron-argon potential is validated through comparison of the calculated gas phase cross-sections with experiment. The results presented highlight the inadequacy of local treatments of exchange that are commonly used in liquid and cluster phase cross-section calculations. The multi-term Boltzmann equation framework accounting for coherent scattering enables the inclusion of the full anisotropy in the differential cross-section arising from the interaction and the structure factor, without an a priori assumption of quasi-isotropy in the velocity distribution function. The model, which contains no free parameters and accounts for both coherent scattering and liquid phase screening effects, was found to reproduce well the experimental drift velocities and characteristic energies.

  20. Electron scattering and transport in liquid argon

    International Nuclear Information System (INIS)

    Boyle, G. J.; Cocks, D. G.; White, R. D.; McEachran, R. P.

    2015-01-01

    The transport of excess electrons in liquid argon driven out of equilibrium by an applied electric field is revisited using a multi-term solution of Boltzmann’s equation together with ab initio liquid phase cross-sections calculated using the Dirac-Fock scattering equations. The calculation of liquid phase cross-sections extends previous treatments to consider multipole polarisabilities and a non-local treatment of exchange, while the accuracy of the electron-argon potential is validated through comparison of the calculated gas phase cross-sections with experiment. The results presented highlight the inadequacy of local treatments of exchange that are commonly used in liquid and cluster phase cross-section calculations. The multi-term Boltzmann equation framework accounting for coherent scattering enables the inclusion of the full anisotropy in the differential cross-section arising from the interaction and the structure factor, without an a priori assumption of quasi-isotropy in the velocity distribution function. The model, which contains no free parameters and accounts for both coherent scattering and liquid phase screening effects, was found to reproduce well the experimental drift velocities and characteristic energies