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Sample records for explained ii calculating

  1. Some neutronic calculations for KENS-II

    International Nuclear Information System (INIS)

    Kiyanagi, Y.; Arai, M.; Watanabe, N.

    1989-01-01

    Proton energies of the intense spallation neutron sources currently in operation or designed are in the range Ep ≤ 1.1 GeV. Optimization studies of the target station have so far been performed for these proton energies. The KENS-II project has been included in the Japanese Hadron Facility Project where the proton accelerator, a so-called First Ring is shared with Meson Arena for nuclear physics and μSR experiments. The possible highest proton energy for this accelerator is 2 GeV, which is the highest among the world's spallation neutron sources. The authors, therefore, performed some neutronic calculations with 2 GeV protons in order to have a good knowledge of the neutronic characteristics and the optimal parameters of the target station for KENS-II. The fraction of slow neutron intensity versus the proton energy becomes 0.8 for 2 GeV compared to that for 0.8 GeV, and this is higher than 0.67 calculated for source neutrons. The uranium target has a higher neutron productivity, 1.5 times that of the tungsten target, even for 2 GeV protons. The target radius and the moderator axial position have definite optimal values for 2 GeV protons in spite of the broader distribution of the source neutrons in target, and these are essentially similar to the results for 0.8 GeV protons. The broad distribution with a little increase in the maximum luminosity of source neutrons for 2 GeV protons could make it easier to remove the heat load from the target than the case for the same beam-power with lower energy and higher proton current. Therefore, they could conclude that the 2 GeV protons for KENS-II do not have significant difficulties in producing slow neutrons, and that non-fissile material has higher advantages to produce neutrons for higher proton energies. Detailed neutronic calculations are now under way to design a neutron target station for KENS-II. 5 refs., 10 figs

  2. H + Ar collisions. II. Differential scattering calculations

    International Nuclear Information System (INIS)

    Neumann, H.; Le, T.Q.; van Zyl, B.

    1977-01-01

    Differential elastic scattering cross-section calculations have been made for H + Ar collisions using classical and eikonal techniques. The calculation procedures are described and compared with existing experimental data. It is shown that the angular distribution of the elastic cross section is similar to that obtained for proton production in such collisions at energies above about 200 eV. By combining the angular dependence of the computed elastic cross section with experimental measurements described in the preceding paper, absolute differential cross sections for proton production have been determined

  3. Singularity fitting in hydrodynamical calculations II

    International Nuclear Information System (INIS)

    Richtmyer, R.D.; Lazarus, R.B.

    1975-09-01

    This is the second report in a series on the development of techniques for the proper handling of singularities in fluid-dynamical calculations; the first was called Progress Report on the Shock-Fitting Project. This report contains six main results: derivation of a free-surface condition, which relates the acceleration of the surface with the gradient of the square of the sound speed just behind it; an accurate method for the early and middle stages of the development of a rarefaction wave, two orders of magnitude more accurate than a simple direct method used for comparison; the similarity theory of the collapsing free surface, where it is shown that there is a two-parameter family of self-similar solutions for γ = 3.9; the similarity theory for the outgoing shock, which takes into account the entropy increase; a ''zooming'' method for the study of the asymptotic behavior of solutions of the full initial boundary-value problem; comparison of two methods for determining the similarity parameter delta by zooming, which shows that the second method is preferred. Future reports in the series will contain discussions of the self-similar solutions for this problem, and for that of the collapsing shock, in more detail and for the full range (1, infinity) of γ; the values of certain integrals related to neutronic and thermonuclear rates near collapse; and methods for fitting shocks, contact discontinuities, interfaces, and free surfaces in two-dimensional flows

  4. Computer and engineering calculations of Brazilian Tokamak-II

    International Nuclear Information System (INIS)

    Wang, S.; Chen, Y.; Sa, W.P. de; Nascimento, I.C.; Tuszel, A.G.; Galvao, R.M.O.; Machida, M.

    1990-01-01

    Analytical and computer calculations carried out by researches of Physics Institute - University of Sao Paulo (IFUSP), for defining the engineering project and constructing the TBR-II tokamak are presented. The hydrodynamics behavioue and determined parameters for magnetic confinement of the plasma were analysed. The computer code was developed using magnetohydrodynamics (MHD) equations which involve plasma interactions, magnetic field and electrical current circulating in more than 20 coils distributed around toroidal vase of the plasma. The electromagnetic, thermal and mechanical couplings are also presented. The TBR-II will be feed by two turbo-generators with 15 MW each one. (M.C.K.) [pt

  5. Small range logarithm calculation on Intel Quartus II Verilog

    Science.gov (United States)

    Mustapha, Muhazam; Mokhtar, Anis Shahida; Ahmad, Azfar Asyrafie

    2018-02-01

    Logarithm function is the inverse of exponential function. This paper implement power series of natural logarithm function using Verilog HDL in Quartus II. The mode of design used is RTL in order to decrease the number of megafunctions. The simulations were done to determine the precision and number of LEs used so that the output calculated accurately. It is found that the accuracy of the system only valid for the range of 1 to e.

  6. Gas dynamics of H II regions. II. Two-dimensional axisymmetric calculations

    International Nuclear Information System (INIS)

    Bodenheimer, P.; Tenorio-Tagle, G.; Yorke, H.W.

    1979-01-01

    The evolution of H II regions is calculated with a two-dimensional hydrodynamic numerical procedure under the assumption that the exciting star is born within a cool molecular cloud whose density is about 10 3 particles cm -3 . As the ionization of the cloud's edge is completed, a large pressure gradient is set up and ionized cloud material expands into the ionized low-density (1 particle cm -3 ) intercloud medium, with velocities larger than 30 km s -1 .The calculations are made under the simplifying assumptions that (i) within the H II region, ionization equilibrium holds at all times, (ii) the ionization front is a discontinuity, thus its detailed structure is not calculated, (iii) the temperature of each region (H II region, neutral cloud, and intercloud medium) is constant in time, (iv) all ionizing photons come radially from the exciting star. Four cases are calculated and compared with observations: (1) the edge of the cloud is overrun by a supersonic ionization front, (2) the initial Stroemgren sphere surrounding the star lies deep inside the cloud, thus the cloud's edge is ionized by a subsonic ionization front, (3) the ionization front breaks through two opposite faces of the same cloud simultaneously, (4) the flow encounters an isolated globule of density 10 3 particles cm -3 shortly after emerging from the molecular cloud.The phenomena here considered show how evolving H II regions are an important input of kinetic energy to the interstellar medium

  7. A Coupled Calculation Suite for Atucha II Operational Transients Analysis

    International Nuclear Information System (INIS)

    Mazzantini, O.; Schivo, M.; Cesare, J.D.; Garbero, R.; Rivero, M.; Theler, G.

    2011-01-01

    While more than a decade ago reactor and thermal hydraulic calculations were tedious and often needed a lot of approximations and simplifications that forced the designers to take a very conservative approach, computational resources available nowadays allow engineers to cope with increasingly complex problems in a reasonable time. The use of best-estimate calculations provides tools to justify convenient engineering margins, reduces costs, and maximises economic benefits. In this direction, a suite of coupled best-estimate specific calculation codes was developed to analyse the behaviour of the Atucha II nuclear power plant in Argentina. The developed tool includes three-dimensional spatial neutron kinetics, a channel-level model of the core thermal hydraulics with subcooled boiling correlations, a one-dimensional model of the primary and secondary circuits including pumps, steam generators, heat exchangers, and the turbine with all their associated control loops, and a complete simulation of the reactor control, limitation, and protection system working in closed-loop conditions as a faithful representation of the real power plant. In the present paper, a description of the coupling scheme between the codes involved is given, and some examples of their application to Atucha II are shown

  8. EMPIRE-II statistical model code for nuclear reaction calculations

    Energy Technology Data Exchange (ETDEWEB)

    Herman, M [International Atomic Energy Agency, Vienna (Austria)

    2001-12-15

    EMPIRE II is a nuclear reaction code, comprising various nuclear models, and designed for calculations in the broad range of energies and incident particles. A projectile can be any nucleon or Heavy Ion. The energy range starts just above the resonance region, in the case of neutron projectile, and extends up to few hundreds of MeV for Heavy Ion induced reactions. The code accounts for the major nuclear reaction mechanisms, such as optical model (SCATB), Multistep Direct (ORION + TRISTAN), NVWY Multistep Compound, and the full featured Hauser-Feshbach model. Heavy Ion fusion cross section can be calculated within the simplified coupled channels approach (CCFUS). A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers (BARFIT), moments of inertia (MOMFIT), and {gamma}-ray strength functions. Effects of the dynamic deformation of a fast rotating nucleus can be taken into account in the calculations. The results can be converted into the ENDF-VI format using the accompanying code EMPEND. The package contains the full EXFOR library of experimental data. Relevant EXFOR entries are automatically retrieved during the calculations. Plots comparing experimental results with the calculated ones can be produced using X4TOC4 and PLOTC4 codes linked to the rest of the system through bash-shell (UNIX) scripts. The graphic user interface written in Tcl/Tk is provided. (author)

  9. Explaining dark matter and neutrino mass in the light of TYPE-II seesaw model

    Science.gov (United States)

    Biswas, Anirban; Shaw, Avirup

    2018-02-01

    With the motivation of simultaneously explaining dark matter and neutrino masses, mixing angles, we have invoked the Type-II seesaw model extended by an extra SU(2) doublet Φ. Moreover, we have imposed a Z2 parity on Φ which remains unbroken as the vacuum expectation value of Φ is zero. Consequently, the lightest neutral component of Φ becomes naturally stable and can be a viable dark matter candidate. On the other hand, light Majorana masses for neutrinos have been generated following usual Type-II seesaw mechanism. Further in this framework, for the first time we have derived the full set of vacuum stability and unitarity conditions, which must be satisfied to obtain a stable vacuum as well as to preserve the unitarity of the model respectively. Thereafter, we have performed extensive phenomenological studies of both dark matter and neutrino sectors considering all possible theoretical and current experimental constraints. Finally, we have also discussed a qualitative collider signatures of dark matter and associated odd particles at the 13 TeV Large Hadron Collider.

  10. Internal radiation dose calculations with the INREM II computer code

    International Nuclear Information System (INIS)

    Dunning, D.E. Jr.; Killough, G.G.

    1978-01-01

    A computer code, INREM II, was developed to calculate the internal radiation dose equivalent to organs of man which results from the intake of a radionuclide by inhalation or ingestion. Deposition and removal of radioactivity from the respiratory tract is represented by the Internal Commission on Radiological Protection Task Group Lung Model. A four-segment catenary model of the gastrointestinal tract is used to estimate movement of radioactive material that is ingested, or swallowed after being cleared from the respiratory tract. Retention of radioactivity in other organs is specified by linear combinations of decaying exponential functions. The formation and decay of radioactive daughters is treated explicitly, with each radionuclide in the decay chain having its own uptake and retention parameters, as supplied by the user. The dose equivalent to a target organ is computed as the sum of contributions from each source organ in which radioactivity is assumed to be situated. This calculation utilizes a matrix of dosimetric S-factors (rem/μCi-day) supplied by the user for the particular choice of source and target organs. Output permits the evaluation of components of dose from cross-irradiations when penetrating radiations are present. INREM II has been utilized with current radioactive decay data and metabolic models to produce extensive tabulations of dose conversion factors for a reference adult for approximately 150 radionuclides of interest in environmental assessments of light-water-reactor fuel cycles. These dose conversion factors represent the 50-year dose commitment per microcurie intake of a given radionuclide for 22target organs including contributions from specified source organs and surplus activity in the rest of the body. These tabulations are particularly significant in their consistent use of contemporary models and data and in the detail of documentation

  11. 40 CFR Appendix II to Part 600 - Sample Fuel Economy Calculations

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Sample Fuel Economy Calculations II... FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. II Appendix II to Part 600—Sample Fuel Economy Calculations (a) This sample fuel economy calculation is applicable to...

  12. NBI Calculations for the TJ-II Experimental discharges

    International Nuclear Information System (INIS)

    Guasp, J.; Fuentes, C.; Liniers, M.

    2004-01-01

    Calculations for NBI losses, absorption and power deposition radial profiles, corresponding to the experimental TJ-II campaigns 2003-2004, have been fitted to simple functionals in order to allow a fast approximative evaluation for any given density. The average difference between the calculations for the individual discharges using the experimental density and temperature radial profiles and the fit predictions are between 10 and 15% and the behaviour with density is the expected one: nonotonic decrease of shine through losses and increase of absorption with incipient saturation for high densities. The fast ion birth radial profile narrows initially at low densities but later starts to widen, although, for the average line density range analysed (0.51 a 4.1x10''13 cm''-3), never are wide enough to induce an increase of direct orbit losses neither to produce hollow radial profiles. The power absorption radial profile widens nonotonically. There exist Fortran subroutines, available at the three CIEMAT computers, allowing the fast approximative evaluation of all these values. (Author) 8 refs

  13. NBI Calculations for the TJ-II Experimental Discharges

    International Nuclear Information System (INIS)

    Guasp, J.; Fuentes, C.; Liniers, M.

    2005-01-01

    The density and electron temperature radial profiles, corresponding to the experimental TJ-II campaigns 2003-2004, with NBI, have been fitted to simple functionals in order to allow a fast approximative evaluation for any given density and injected power... The fits have been calculated, separately, for the four possibilities: ECRH and NBI Phases as well as On and Off Axis ECRH injection. The average difference between the experimental profiles for the individual discharges and the fit predictions are around 8% for the density and 10% for the temperature. The behaviour of the predicted profiles with average line density and injected power has been analysed. The central electron temperature decreases monotonically with increasing density and the ECRH phase On Axis central value is clearly higher than the Off axis one. The radial density profiles narrow with increasing density and the NBI On axis case is clearly wider than de Off one. The electron temperature profile widens slightly with increasing density and the width of the On Axix case is lesser than for the Off case in all phases. There exist Fortran subroutines, available at the three CIEMAT computers, allowing the fast approximative evaluation of all these profiles. (Author) 8 refs

  14. Calculated Resonance Line Profiles of [Mg II], [C II], and [Si IV] in the Solar Atmosphere

    Science.gov (United States)

    Avrett, E.; Landi, E.; McKillop, S.

    2013-12-01

    NASA's Interface Region Imaging Spectrograph space mission, launched 2013 June 27, is intended to study the structure of the solar chromosphere and the transition region between the chromosphere and corona. The spectral lines to be observed include the Mg II k line at 2796.5 Å, the C II 1334.5 Å line, and the Si IV line at 1393.8 Å, which are formed in the middle chromosphere, the upper chromosphere, and the lower transition region, respectively. Here we calculate the profiles of these lines from four models of the solar atmosphere, intended to represent the faint and mean internetwork, a network lane, and bright network. We show how the profiles change from the center of the solar disk toward the limb of the Sun and in response to outflows and inflows. These results are intended to cover the range of expected quiet-Sun observations and assist in their interpretation. We expect that the observations will lead to improvements in the models, which can then be used to estimate the required non-radiative heating in the different regions.

  15. Calculated resonance line profiles of [Mg II], [C II], and [Si IV] in the solar atmosphere

    International Nuclear Information System (INIS)

    Avrett, E.; McKillop, S.; Landi, E.

    2013-01-01

    NASA's Interface Region Imaging Spectrograph space mission, launched 2013 June 27, is intended to study the structure of the solar chromosphere and the transition region between the chromosphere and corona. The spectral lines to be observed include the Mg II k line at 2796.5 Å, the C II 1334.5 Å line, and the Si IV line at 1393.8 Å, which are formed in the middle chromosphere, the upper chromosphere, and the lower transition region, respectively. Here we calculate the profiles of these lines from four models of the solar atmosphere, intended to represent the faint and mean internetwork, a network lane, and bright network. We show how the profiles change from the center of the solar disk toward the limb of the Sun and in response to outflows and inflows. These results are intended to cover the range of expected quiet-Sun observations and assist in their interpretation. We expect that the observations will lead to improvements in the models, which can then be used to estimate the required non-radiative heating in the different regions.

  16. The validity of METHUSELAH II in water moderated lattice calculations

    International Nuclear Information System (INIS)

    Hicks, D.; Hopkins, D.R.

    1964-09-01

    An improved version of the METHUSELAH code has been developed, which embodies some refinements in the treatment of the thermal spectrum, improved cross-section data, and a neutron balance output. The changes in nuclear data and physical models are summarised in this report; a detailed description of the programme modifications will be published separately. In this report METHUSELAH II predictions are compared with published lattice reactivity and reaction rate data. The systems examined include British S.G.H.W. type lattices (with H 2 O and D 2 O moderation), Canadian natural uranium/D 2 0 experiments, U.S. low enrichment H 2 O systems, and the Hanford Pu A1/H 2 O experiments. In general the agreement is sufficiently good to demonstrate the value of METHUSELAH II as an assessment tool and to indicate clear improvements over METHUSELAH I. A number of discrepancies are, however, observed and are the subject of comment. (author)

  17. Heat transfer calculations on the KNK II emergency cooling system

    International Nuclear Information System (INIS)

    Vossebrecker, H.; Groenefeld, G.

    1976-12-01

    The Licensing Authority had demanded that in case of the change of the KNK thermal core into a fast core the decay heat removal system must be improved by a diverse and spatially separated emergency cooling system. In order to meet this requirement an existing nitrogen system of the facility is extended in such a manner that the decay heat will be removed by a nitrogen flow passing through the gap between reactor vessel and guard vessel. The heat transport from the core to the vessel is accomplished by natural convection flow rates which are generated by density differences between the hot core subassemblies, the reflector subassemblies and other passages between the upper and the lower plenum. The calculations show that the maximum temperatures in the core do not reach the sodium boiling-point. The maximum vessel temperature is 673 deg. C. In this report the function of the emergency cooling system and the methods of calculation are described, the input data and the results are stated and it is shown that the calculated temperatures are conservative [de

  18. Semiclassical calculation for collision induced dissociation. II. Morse oscillator model

    International Nuclear Information System (INIS)

    Rusinek, I.; Roberts, R.E.

    1978-01-01

    A recently developed semiclassical procedure for calculating collision induced dissociation probabilities P/sup diss/ is applied to the collinear collision between a particle and a Morse oscillator diatomic. The particle--diatom interaction is described with a repulsive exponential potential function. P/sup diss/ is reported for a system of three identical particles, as a function of collision energy E/sub t/ and initial vibrational state of the diatomic n 1 . The results are compared with the previously reported values for the collision between a particle and a truncated harmonic oscillator. The two studies show similar features, namely: (a) there is an oscillatory structure in the P/sup diss/ energy profiles, which is directly related to n 1 ; (b) P/sup diss/ becomes noticeable (> or approx. =10 -3 ) for E/sub t/ values appreciably higher than the energetic threshold; (c) vibrational enhancement (inhibition) of collision induced dissociation persists at low (high) energies; and (d) good agreement between the classical and semiclassical results is found above the classical dynamic threshold. Finally, the convergence of P/sup diss/ for increasing box length is shown to be rapid and satisfactory

  19. The ion exchange and its connection the industry II.- Calculation methods for installations

    International Nuclear Information System (INIS)

    Uriarte Hueda, A.; Lopez Perez, B.; Gutierrez Jodra, L.

    1960-01-01

    An exposure is made of calculation methods for ion exchange installations based on kinetic considerations and similarity with other unitary operations. Factors to be experimentally obtained as well as difficulties which may occur in its determination are also given. Calculation procedures most commonly used in industry are enclosed and explained with numerical resolution of a problem of water demineralization. (Author) 22 refs

  20. 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.

  1. 3-D flux distribution and criticality calculation of TRIGA Mark-II

    International Nuclear Information System (INIS)

    Can, B.

    1982-01-01

    In this work, the static calculation of the (I.T.U. TRIGA Mark-II) flux distribution has been made. The three dimensional, r-θ-z, representation of the core has been used. In this representation, for different configuration, the flux distribution has been calculated depending on two group theory. The thermal-hydraulics, the poisoning effects have been ignored. The calculations have been made by using the three dimensional and multigroup code CAN. (author)

  2. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    Science.gov (United States)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  3. Synthesis, crystal structure and DFT calculations of a new Hg (II) metal-organic polymer

    Czech Academy of Sciences Publication Activity Database

    Mirtamizdoust, B.; Roodsari, M.S.; Shaabani, B.; Dušek, Michal; Fejfarová, Karla

    2016-01-01

    Roč. 15, č. 3 (2016), s. 257-266 ISSN 1024-1221 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : mercury (II) iodide * coordination polymer * square planar * tetrahedral geometry * density functional calculation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.565, year: 2016

  4. Calculation of the magnetic vector potential in the TJ-II

    International Nuclear Information System (INIS)

    Lopez Fraguas, A.; Lopez Bruna, D.; Romero, J. A.

    2005-01-01

    The properties of the vector magnetic potential and its usefulness to calculate magnetic fluxes in both stationary and time-dependent conditions are p revised in this report. We have adapted to the TJ-II Flexible Heliac efficient numerical expressions to calculate the vector potential, calculating in addition the magnetic flux with this formalism in circumstances whose complexity makes very convenient the use of the vector potential. The result on induced voltages offer theoretical support to the measurements of induced voltage due to the OH coils in the plasma, like the measurements provided by the loop voltage diagnostic installed in the TJ-II, as well as to the cylindrical approximation of the plasma often used to interpret experimental data. (Author) 11 refs

  5. Fuel penetration of intersubassembly gaps in LMFBRs: a calculational method with the SIMMER-II code

    International Nuclear Information System (INIS)

    DeVault, G.P.

    1983-01-01

    Early fuel removal from the active core of a liquid-metal-cooled fast breeder reactor (LMFBR) undergoing a core-disruptive accident may reduce the potential for large energetics resulting from recriticalities. A possible avenue for early fuel removal in heterogeneous core LMFBRs is the failure of duct walls in disrupted driver subassemblies followed by fuel penetration into the gaps between blanket subassemblies. The SIMMER-II code was modified to simulate flow between subassembly gaps. Calculations with the modified SIMMER-II code indicate the capabilities of the method and the potential for fuel mass reduction in the active core

  6. The calculation of hydrostatic pressures in SIMMER-II and the problem of connected tubes

    International Nuclear Information System (INIS)

    Schmuck, P.; Kleinheins, S.

    1986-03-01

    Some SIMMER-II calculations had shown that the hydrostatic equilibrium in connected tubes had not been simulated correctly under certain conditions. The present report documents the results of the investigations, which had been performed to understand these inconsistencies. The reasons are presented in analytical form and possibilities to avoid the mistakes or to keep their consequences as small as possible are given. For the verification of the analytical results some SIMMER-II, version 9 have been performed and their results are presented

  7. Calculation of neutron fluxes in biological shield of the TRIGA Mark II reactor

    International Nuclear Information System (INIS)

    Bozic, M.; Zagar, T.; Ravnik, M.

    2001-01-01

    The complete calculation of neutron fluxes in biological shield and verification with experimental results is presented. Calculated results are obtained with TORT code (TORT-Three Dimensional Oak Ridge Discrete Ordinates Neutron/Photon Transport Code). Experimental results used for comparison are available from irradiation experiment with selected type of concrete and other materials in irradiation channel 4 in TRIGA Mark II reactor. These experimental results were used as a benchmark. Homogeneous type of problem (without inserted irradiation channel) and problem with asymmetry (inserted beam port 4, filled with different materials) were of interest for neutron flux calculation. Deviation from material data set up as original parameters is also considered (first of all presence of water in concrete and density of concrete) for type of concrete in biological shield and for selected type of concrete in irradiation channel. BUGLE-96 (47 neutron energy groups) library is used. Excellent agreement between calculated and experimental results for reaction rate is received.(author)

  8. Comparison of measured and calculated composition of irradiated EBR-II blanket assemblies

    International Nuclear Information System (INIS)

    Grimm, K. N.

    1998-01-01

    In anticipation of processing irradiated EBR-II depleted uranium blanket subassemblies in the Fuel Conditioning Facility (FCF) at ANL-West, it has been possible to obtain a limited set of destructive chemical analyses of samples from a single EBR-II blanket subassembly. Comparison of calculated values with these measurements is being used to validate a depletion methodology based on a limited number of generic models of EBR-II to simulate the irradiation history of these subassemblies. Initial comparisons indicate these methods are adequate to meet the operations and material control and accountancy (MC and A) requirements for the FCF, but also indicate several shortcomings which may be corrected or improved

  9. Ab initio calculations of the Fe(II) and Fe(III) isotopic effects in citrates, nicotianamine, and phytosiderophore, and new Fe isotopic measurements in higher plants

    Science.gov (United States)

    Moynier, Frédéric; Fujii, Toshiyuki; Wang, Kun; Foriel, Julien

    2013-05-01

    Iron is one of the most abundant transition metal in higher plants and variations in its isotopic compositions can be used to trace its utilization. In order to better understand the effect of plant-induced isotopic fractionation on the global Fe cycling, we have estimated by quantum chemical calculations the magnitude of the isotopic fractionation between different Fe species relevant to the transport and storage of Fe in higher plants: Fe(II)-citrate, Fe(III)-citrate, Fe(II)-nicotianamine, and Fe(III)-phytosiderophore. The ab initio calculations show firstly, that Fe(II)-nicotianamine is ˜3‰ (56Fe/54Fe) isotopically lighter than Fe(III)-phytosiderophore; secondly, even in the absence of redox changes of Fe, change in the speciation alone can create up to ˜1.5‰ isotopic fractionation. For example, Fe(III)-phytosiderophore is up to 1.5‰ heavier than Fe(III)-citrate2 and Fe(II)-nicotianamine is up to 1‰ heavier than Fe(II)-citrate. In addition, in order to better understand the Fe isotopic fractionation between different plant components, we have analyzed the iron isotopic composition of different organs (roots, seeds, germinated seeds, leaves and stems) from six species of higher plants: the dicot lentil (Lens culinaris), and the graminaceous monocots Virginia wild rye (Elymus virginicus), Johnsongrass (Sorghum halepense), Kentucky bluegrass (Poa pratensis), river oat (Uniola latifolia), and Indian goosegrass (Eleusine indica). The calculations may explain that the roots of strategy-II plants (Fe(III)-phytosiderophore) are isotopically heavier (by about 1‰ for the δ56Fe) than the upper parts of the plants (Fe transported as Fe(III)-citrate in the xylem or Fe(II)-nicotianamine in the phloem). In addition, we suggest that the isotopic variations observed between younger and older leaves could be explained by mixing of Fe received from the xylem and the phloem.

  10. FOOD II: an interactive code for calculating concentrations of radionuclides in food products

    International Nuclear Information System (INIS)

    Zach, R.

    1978-11-01

    An interactive code, FOOD II, has been written in FORTRAN IV for the PDP 10 to allow calculation of concentrations of radionuclides in food products and internal doses to man under chronic release conditions. FOOD II uses models unchanged from a previous code, FOOD, developed at Battelle, Pacific Northwest Laboratories. The new code has different input and output features than FOOD and a number of options have been added to increase flexibility. Data files have also been updated. FOOD II takes into account contamination of vegetation by air and irrigation water containing radionuclides. Contamination can occur simultaneously by air and water. Both direct deposition of radionuclides on leaves, and their uptake from soil are possible. Also, animals may be contaminated by ingestion of vegetation and drinking water containing radionuclides. At present, FOOD II provides selection of 14 food types, 13 diets and numerous radionuclides. Provisions have been made to expand all of these categories. Six additional contaminated food products can also be entered directly into the dose model. Doses may be calculated for the total body and six internal organs. Summaries of concentrations in food products and internal doses to man can be displayed at a local terminal or at an auxiliary high-speed printer. (author)

  11. Synthesis, crystal structure of and DFT calculations on bisglycinato-bis[p-(hydroxymethylpyridine]nickel(II

    Directory of Open Access Journals (Sweden)

    FANG FANG JIAN

    2010-09-01

    Full Text Available The main aim of this study was to investigate the relationship between mIn tA new Ni(II complex of bisglycinato-bis[p-(hydroxylmethylpy-ridine] was synthesized and characterized by elemental analysis, IR, UV–Vis spectroscopy and X-ray single crystal diffraction analysis. The thermal stability of the title complex was also determined. The complex adopts a distorted octahedral geometry and possesses inversion symmetry with the Ni(II ion as the center of inversion. Density function theory (DFT calculations of the structure, electronic absorption spectra, electron structure and natural population analysis (NPA at the B3LYP/LANL2DZ level of theory were performed. The predicted geometric parameters and electronic spectra were compared with the experimental values and they supported each other. The NPA results indicate that the electronic transitions were mainly derived from the contribution of an intra-ligand (IL transition, a ligand-to-metal charge transfer (LMCT transition and a d-d transition. The electron structure calculations suggest that the central Ni(II ion uses its 4s and 3d orbitals to form covalent bonds with coordinated N and O atoms. The calculated bond orders are also consistent with the thermal decomposition results. Based on vibrational analysis, the thermodynamic properties of the title complex were predicted and the correlative equations between these thermodynamic properties and temperature are also reported.

  12. Multi-instantons and exact results II: specific cases, higher-order effects, and numerical calculations

    International Nuclear Information System (INIS)

    Zinn-Justin, Jean; Jentschura, Ulrich D.

    2004-01-01

    In this second part of the treatment of instantons in quantum mechanics, the focus is on specific calculations related to a number of quantum mechanical potentials with degenerate minima. We calculate the leading multi-instanton contributions to the partition function, using the formalism introduced in the first part of the treatise [Ann. Phys. (N. Y.) (previous issue) (2004)]. The following potentials are considered: (i) asymmetric potentials with degenerate minima, (ii) the periodic cosine potential, (iii) anharmonic oscillators with radial symmetry, and (iv) a specific potential which bears an analogy with the Fokker-Planck equation. The latter potential has the peculiar property that the perturbation series for the ground-state energy vanishes to all orders and is thus formally convergent (the ground-state energy, however, is non-zero and positive). For the potentials (ii), (iii), and (iv), we calculate the perturbative B-function as well as the instanton A-function to fourth order in g. We also consider the double-well potential in detail, and present some higher-order analytic as well as numerical calculations to verify explicitly the related conjectures up to the order of three instantons. Strategies analogous to those outlined here could result in new conjectures for problems where our present understanding is more limited

  13. PASC-1, Petten AMPX-II/SCALE-3 Code System for Reactor Neutronics Calculation

    International Nuclear Information System (INIS)

    Yaoqing, W.; Oppe, J.; Haas, J.B.M. de; Gruppelaar, H.; Slobben, J.

    1995-01-01

    1 - Description of program or function: The Petten AMPX-II/SCALE-3 Code System PASC-1 is a reactor neutronics calculation programme system consisting of well known IBM-oriented codes, that have been translated into FORTRAN-77, for calculations on a CDC-CYBER computer. Thus, the portability of these codes has been increased. In this system, some AMPX-II and SCALE-3 modules, the one-dimensional transport code ANISN and the 1 to 3-dimensional diffusion code CITATION are linked together on the CDC-CYBER/855 computer. The new cell code XSDRNPM-S and the old XSDRN code are included in the system. Starting from an AMPX fine group library up to CITATION, calculations can be performed for each individual module. Existing AMPX master interface format libraries, such as CSRL-IV, JEF-1, IRI and SCALE-45, and the old XSDRN-formatted libraries such as the COBB library can be used for the calculations. The code system contains the following modules and codes at present: AIM, AJAX, MALOCS, NITAWL-S, REVERT-I, ICE-2, CONVERT, JUAN, OCTAGN, XSDRNPM-S, XSDRN, ANISN and CITATION. The system will be extended with other SCALE modules and transport codes. 2 - Method of solution: The PASC-1 system is based on AMPX-II/SCALE-3 modules. Except for some SCALE-3 modules taken from the SCALIAS package, the original AMPX-II modules were IBM versions written in FORTRAN IV. These modules have been translated into CDC FORTRAN V. In order to test these modules and link them with some codes, some of the sample problem calculations have been performed for the whole PASC-1 system. During these calculations, some FORTRAN-77 errors were found in MALOCS, REVERT, CONVERT and some subroutines of SUBLIB (FORTRAN-77 subroutine library). These errors have been corrected. Because many corrections were made for the REVERT module, it is renamed as REVERT-I (improved version of REVERT). After these corrections, the whole system is running on a CDC-CYBER Computer (NOS-BE operating system). 3 - Restrictions on the

  14. Safety analysis calculations for a mixed and full FLIP core in a TRIGA Mark II

    International Nuclear Information System (INIS)

    Ringle, John C.; Hornyik, K.; Robinson, A.H.; Anderson, T.V.; Johnson, A.G.

    1976-01-01

    The Oregon State TRIGA Reactor will be reloading with FLIP fuel in August 1976. As we are the first Mark II TRIGA with a circular grid pattern and graphite reflector to utilize FLIP fuel, the safety analysis calculations performed at other facilities using FLIP were only of limited use to us. A multigroup, multiregion, one-dimensional diffusion theory code was used to calculate power densities in six different operational cores - mixed to full FLIP. Pulsing characteristics were obtained from a computer code based on point kinetics, with adiabatic heating of the fuel, linear temperature dependence of the specific heat, and prompt fuel temperature feedback coefficient. The results of all pertinent calculations will be presented. (author)

  15. Synthesis, characterization, DFT calculations and antibacterial activity of palladium(II) cyanide complexes with thioamides

    Science.gov (United States)

    Ahmad, Saeed; Nadeem, Shafqat; Anwar, Aneela; Hameed, Abdul; Tirmizi, Syed Ahmed; Zierkiewicz, Wiktor; Abbas, Azhar; Isab, Anvarhusein A.; Alotaibi, Mshari A.

    2017-08-01

    Palladium(II) cyanide complexes of thioamides (or thiones) having the general formula PdL2(CN)2, where L = Thiourea (Tu), Methylthiourea (Metu), N,N‧-Dimethylthiourea (Dmtu), Tetramethylthiourea (Tmtu), 2-Mercaptopyridine (Mpy) and 2-Mercaptopyrimidine (Mpm) were prepared by reacting K2[PdCl4] with potassium cyanide and thioamides in the molar ratio of 1:2:2. The complexes were characterized by elemental analysis, thermal and spectroscopic methods (IR, 1H and 13C NMR). The structures of three of the complexes were predicted by DFT calculations. The appearance of a band around 2100 cm-1 in IR and resonances around 120-130 ppm in the 13C NMR spectra indicated the coordination of cyanide to palladium(II). More than one resonances were observed for CN- carbon atoms in 13C NMR indicating the existence of equilibrium between different species in solution. DFT calculations revealed that in the case of the palladium(II) complex of Tmtu, the ionic dinuclear [Pd(Tmtu)4][Pd(CN)4] form was more stable than the dimer of mononuclear complex [Pd(Tmtu)2(CN)2] by 0.91 kcal mol-1, while for the complexes of Tu or Mpy ligands, the nonionic [Pd(L)2(CN)2] forms were more stable than the corresponding [Pd(L)4][Pd(CN)4] complexes by 1.26 and 6.49 kcal mol-1 for L = Tu and Mpy, respectively. The complexes were screened for antibacterial effects and some of them showed significant activities against both gram positive as well as gram negative bacteria.

  16. Calculation analysis of TRIGA MARK II reactor core composed of two types of fuel elements

    International Nuclear Information System (INIS)

    Ravnik, M.

    1988-11-01

    The most important properties of mixed cores are treated for TRIGA MARK II reactor, composed of standard (20% enriched, 8.5w% U content) and FLIP (70% enriched, 8.5w% U content) fuel elements. Large difference in enrichment and presence of burnable poison in FLIP fuel have strong influence on the main core characteristics, such as: fuel temperature coefficient, power defect, Xe and Sm worth, power and flux distributions, etc. They are significantly different for both types of fuel. Optimal loading of mixed cores therefore strongly depends on the loading pattern of both types of fuel elements. Results of systematic calculational analysis of mixed cores are presented. Calculations on the level of fuel element are performed with WIMSD-4 computer code with extended cross-section library. Core calculations are performed with TRIGAP two-group 1-D diffusion code. Results are compared to measurements and physical explanation is provided. Special concern is devoted to realistic mixed cores, for which optimal in-core fuel management is derived. Refs, figs and tabs

  17. Computer code PRECIP-II for the calculation of Zr-steam reaction

    International Nuclear Information System (INIS)

    Suzuki, Motoye; Kawasaki, Satoru; Furuta, Teruo

    1978-06-01

    The computer code PRECIP-II developed, a modification of S.Malang's SIMTRAN-I, is to calculate Zr-Steam reaction under LOCA conditions. Improved are the following: 1. treatment of boundary conditions at alpha/beta phase interface during temperature decrease. 2. method of time-mesh control. 3. number of input-controllable parameters, and output format. These improvements made possible physically reasonable calculations for an increased number of temperature history patterns, including the cladding temperature excursion assumed during LOCA. Calculations were made along various transient temperature histories, with the parameters so modified as to enable fitting of numerical results of weight gain, oxide thickness and alpha phase thickness in isothermal reactions to the experimental data. Then the computed results were compared with the corresponding experimental values, which revealed that most of the differences lie within +-10%. Slow cooling effect on ductility change of Zircaloy-4 was investigated with some of the oxidized specimens by a ring compression test; the effect is only slight. (auth.)

  18. Assessment calculation of MARS-LMR using EBR-II SHRT-45R

    Energy Technology Data Exchange (ETDEWEB)

    Choi, C.; Ha, K.S.

    2016-10-15

    Highlights: • Neutronic and thermal-hydraulic behavior predicted by MARS-LMR is validated with EBR-II SHRT-45R test data. • Decay heat model of ANS-94 give better prediction of the fission power. • The core power is well predicted by reactivity feedback during initial transient, however, the predicted power after approximately 200 s is over-estimated. The study of the reactivity feedback model of the EBR-II is necessary for the better calculation of the power. • Heat transfer between inter-subassemblies is the most important parameter, especially, a low flow and power subassembly, like non-fueled subassembly. - Abstract: KAERI has designed a prototype Gen-IV SFR (PGSFR) with metallic fuel. And the safety analysis code for the PGSFR, MARS-LMR, is based on the MARS code, and supplemented with various liquid metal related features including sodium properties, heat transfer, pressure drop, and reactivity feedback models. In order to validate the newly developed MARS-LMR, KAERI has joined the International Atomic Energy Agency (IAEA) coordinated research project (CRP) on “Benchmark Analysis of an EBR-II Shutdown Heat Removal Test (SHRT)”. Argonne National Laboratory (ANL) has technically supported and participated in this program. One of benchmark analysis tests is SHRT-45R, which is an unprotected loss of flow test in an EBR-II. So, sodium natural circulation and reactivity feedbacks are major phenomena of interest. A benchmark analysis was conducted using MARS-LMR with original input data provided by ANL. MARS-LMR well predicts the core flow and power change by reactivity feedbacks in the core. Except the results of the XX10, the temperature and flow in the XX09 agreed well with the experiments. Moreover, sensitivity tests were carried out for a decay heat model, reactivity feedback model, inter-subassembly heat transfer, internal heat structures and so on, to evaluate their sensitivity and get a better prediction. The decay heat model of ANS-94 shows

  19. Assessment calculation of MARS-LMR using EBR-II SHRT-45R

    International Nuclear Information System (INIS)

    Choi, C.; Ha, K.S.

    2016-01-01

    Highlights: • Neutronic and thermal-hydraulic behavior predicted by MARS-LMR is validated with EBR-II SHRT-45R test data. • Decay heat model of ANS-94 give better prediction of the fission power. • The core power is well predicted by reactivity feedback during initial transient, however, the predicted power after approximately 200 s is over-estimated. The study of the reactivity feedback model of the EBR-II is necessary for the better calculation of the power. • Heat transfer between inter-subassemblies is the most important parameter, especially, a low flow and power subassembly, like non-fueled subassembly. - Abstract: KAERI has designed a prototype Gen-IV SFR (PGSFR) with metallic fuel. And the safety analysis code for the PGSFR, MARS-LMR, is based on the MARS code, and supplemented with various liquid metal related features including sodium properties, heat transfer, pressure drop, and reactivity feedback models. In order to validate the newly developed MARS-LMR, KAERI has joined the International Atomic Energy Agency (IAEA) coordinated research project (CRP) on “Benchmark Analysis of an EBR-II Shutdown Heat Removal Test (SHRT)”. Argonne National Laboratory (ANL) has technically supported and participated in this program. One of benchmark analysis tests is SHRT-45R, which is an unprotected loss of flow test in an EBR-II. So, sodium natural circulation and reactivity feedbacks are major phenomena of interest. A benchmark analysis was conducted using MARS-LMR with original input data provided by ANL. MARS-LMR well predicts the core flow and power change by reactivity feedbacks in the core. Except the results of the XX10, the temperature and flow in the XX09 agreed well with the experiments. Moreover, sensitivity tests were carried out for a decay heat model, reactivity feedback model, inter-subassembly heat transfer, internal heat structures and so on, to evaluate their sensitivity and get a better prediction. The decay heat model of ANS-94 shows

  20. Rate maximum calculation of Dpa in CNA-II pressure vessel

    International Nuclear Information System (INIS)

    Mascitti, J. A

    2012-01-01

    The maximum dpa rate was calculated for the reactor in the following state: fresh fuel, no Xenon, a Boron concentration of 15.3 ppm, critical state, its control rods in the criticality position, hot, at full power (2160 MW). It was determined that the maximum dpa rate under such conditions is 3.54(2)x10 12 s -1 and it is located in the positions corresponding to θ=210 o in the azimuthal direction, and z=20 cm and -60 cm respectively in the axial direction, considering the calculation mesh centered at half height of the fuel element (FE) active length. The dpa rate spectrum was determined as well as the contribution to it for 4 energy groups: a thermal group, two epithermal groups and a fast one. The maximum dpa rate considering the photo-neutrons production from (γ, n) reaction in the heavy water of coolant and moderator was 3.93(4)x10 12 s -1 that is 11% greater than the obtained without photo-neutrons. This verified significant difference between both cases, suggest that photo-neutrons in large heavy water reactors such as CNA-II should not be ignored. The maximum DPA rate in the first mm of the reactor pressure vessel was calculated too and it was obtained a value of 4.22(6)x10 12 s -1 . It should be added that the calculation was carried out with the reactor complete accurate model, with no approximations in spatial or energy variables. Each value has, between parentheses, a percentage relative error representing the statistical uncertainty due to the probabilistic Monte Carlo method used to estimate it. More representative values may be obtained with this method if equilibrium burn-up distribution is used (author)

  1. EBRPOCO - a program to calculate detailed contributions of power reactivity components of EBR-II

    International Nuclear Information System (INIS)

    Meneghetti, D.; Kucera, D.A.

    1981-01-01

    The EBRPOCO program has been developed to facilitate the calculations of the power coefficients of reactivity of EBR-II loadings. The program enables contributions of various components of the power coefficient to be delineated axially for every subassembly. The program computes the reactivity contributions of the power coefficients resulting from: density reduction of sodium coolant due to temperature; displacement of sodium coolant by thermal expansions of cladding, structural rods, subassembly cans, and lower and upper axial reflectors; density reductions of these steel components due to temperature; displacement of bond-sodium (if present) in gaps by differential thermal expansions of fuel and cladding; density reduction of bond-sodium (if present) in gaps due to temperature; free axial expansion of fuel if unrestricted by cladding or restricted axial expansion of fuel determined by axial expansion of cladding. Isotopic spatial contributions to the Doppler component my also be obtained. (orig.) [de

  2. Criticality calculation in TRIGA MARK II PUSPATI Reactor using Monte Carlo code

    International Nuclear Information System (INIS)

    Rafhayudi Jamro; Redzuwan Yahaya; Abdul Aziz Mohamed; Eid Abdel-Munem; Megat Harun Al-Rashid; Julia Abdul Karim; Ikki Kurniawan; Hafizal Yazid; Azraf Azman; Shukri Mohd

    2008-01-01

    A Monte Carlo simulation of the Malaysian nuclear reactor has been performed using MCNP Version 5 code. The purpose of the work is the determination of the multiplication factor (k e ff) for the TRIGA Mark II research reactor in Malaysia based on Monte Carlo method. This work has been performed to calculate the value of k e ff for two cases, which are the control rod either fully withdrawn or fully inserted to construct a complete model of the TRIGA Mark II PUSPATI Reactor (RTP). The RTP core was modeled as close as possible to the real core and the results of k e ff from MCNP5 were obtained when the control fuel rods were fully inserted, the k e ff value indicates the RTP reactor was in the subcritical condition with a value of 0.98370±0.00054. When the control fuel rods were fully withdrawn the value of k e ff value indicates the RTP reactor is in the supercritical condition, that is 1.10773±0.00083. (Author)

  3. I. Nuclear and neutron matter calculations with isobars. II. A model calculation of Fermi liquid parameters for liquid 3He

    International Nuclear Information System (INIS)

    Ainsworth, T.L.

    1983-01-01

    The Δ(1232) plays an important role in determining the properties of nuclear and neutron matter. The effects of the Δ resonance are incorporated explicitly by using a coupled channel formalism. A method for constraining a lowest order variational calculation, appropriate when nucleon internal degrees of freedom are made explicity, is presented. Different N-N potentials were calculated and fit to phase shift data and deuteron properties. The potentials were constructed to test the relative importance of the Δ resonance on nuclear properties. The symmetry energy and incompressibility of nuclear matter are generally reproduced by this calculation. Neutron matter results lead to appealing neutron star models. Fermi liquid parameters for 3 He are calculated with a model that includes both direct and induced terms. A convenient form of the direct interaction is obtained in terms of the parameters. The form of the direct interaction ensures that the forward scattering sum rule (Pauli principle) is obeyed. The parameters are adjusted to fit the experimentally determined F 0 /sup s/, F 0 /sup a/, and F 1 /sup s/ Landau parameters. Higher order Landau parameters are calculated by the self-consistent solution of the equations; comparison to experiment is good. The model also leads to a preferred value for the effective mass of 3 He. Of the three parameters only one shows any dependence on pressure. An exact sum rule is derived relating this parameter to a specific summation of Landau parameters

  4. Transport Calculations for the reference configuration under neutral bean injection in TJ-II

    International Nuclear Information System (INIS)

    Guasp, J.; Castejon, F.; Liniers, M.

    1999-01-01

    Transport calculations for the Reference Configuration under Neutral Beam Injection in TJ-II are discussed. For all these analysis the Transport Code PROCTR has been used but, in reason of the complex geometry of TJ-II, some modifications to the code have been needed, not only for the absorption, losses and deposition radial profile evaluations, but also for the treatment of the transition between ECRH and NBI or the fit of Transport Coefficients to the different Scaling Laws. The attained centralβ values for high density ( central value around 11 x 10''13 cm''3), in steady, range between a minimum of 1.9% for the GRB law up to 3.6% or 4.2% for those laws that show an explicit dependence with the rotational transform (ISS and LGS), with an intermediate value of 2.8% for the LHD case. Global energy confinement times range between 3.9 and 8.8 ms for the two extreme cases and 5.6 ms for LHD. As well ions as electrons are clearly in the plateau regime, in contrast to the ECRH phase where the electrons are well inside the 1/ν regime, dominated by helical ripple effects. The effect of impurities is to decrease slightly the absorption and the attainable β levels, but only for Zeff values higher than 4 this degradation becomes important. For the stationary state the density remains always below the semiempirical limit, independently of the Zeff value. Even along the first stages of injection, where absorption can be rather low, the limit is not reached, at least for Zeff < 4, so that radioactive collapse along this critical phase should not to be expected. (Author) 14 refs

  5. Fluoridonitrosyl complexes of technetium(I) and technetium(II). Synthesis, characterization, reactions, and DFT calculations.

    Science.gov (United States)

    Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich

    2014-05-19

    A mixture of [Tc(NO)F5](2-) and [Tc(NO)(NH3)4F](+) is formed during the reaction of pertechnetate with acetohydroxamic acid (Haha) in aqueous HF. The blue pentafluoridonitrosyltechnetate(II) has been isolated in crystalline form as potassium and rubidium salts, while the orange-red ammine complex crystallizes as bifluoride or PF6(-) salts. Reactions of [Tc(NO)F5](2-) salts with HCl give the corresponding [Tc(NO)Cl4/5](-/2-) complexes, while reflux in neat pyridine (py) results in the formation of the technetium(I) cation [Tc(NO)(py)4F](+), which can be crystallized as hexafluoridophosphate. The same compound can be synthesized directly from pertechnetate, Haha, HF, and py or by a ligand-exchange procedure starting from [Tc(NO)(NH3)4F](HF2). The technetium(I) cation [Tc(NO)(NH3)4F](+) can be oxidized electrochemically or by the reaction with Ce(SO4)2 to give the corresponding Tc(II) compound [Tc(NO)(NH3)4F](2+). The fluorido ligand in [Tc(NO)(NH3)4F](+) can be replaced by CF3COO(-), leaving the "[Tc(NO)(NH3)4](2+) core" untouched. The experimental results are confirmed by density functional theory calculations on [Tc(NO)F5](2-), [Tc(NO)(py)4F](+), [Tc(NO)(NH3)4F](+), and [Tc(NO)(NH3)4F](2+).

  6. Quantum chemical analysis explains hemagglutinin peptide-MHC Class II molecule HLA-DRβ1*0101 interactions

    International Nuclear Information System (INIS)

    Cardenas, Constanza; Villaveces, Jose Luis; Bohorquez, Hugo; Llanos, Eugenio; Suarez, Carlos; Obregon, Mateo; Patarroyo, Manuel Elkin

    2004-01-01

    We present a new method to explore interactions between peptides and major histocompatibility complex (MHC) molecules using the resultant vector of the three principal multipole terms of the electrostatic field expansion. Being that molecular interactions are driven by electrostatic interactions, we applied quantum chemistry methods to better understand variations in the electrostatic field of the MHC Class II HLA-DRβ1*0101-HA complex. Multipole terms were studied, finding strong alterations of the field in Pocket 1 of this MHC molecule, and weak variations in other pockets, with Pocket 1 >> Pocket 4 > Pocket 9 ∼ Pocket 7 > Pocket 6. Variations produced by 'ideal' amino acids and by other occupying amino acids were compared. Two types of interactions were found in all pockets: a strong unspecific one (global interaction) and a weak specific interaction (differential interaction). Interactions in Pocket 1, the dominant pocket for this allele, are driven mainly by the quadrupole term, confirming the idea that aromatic rings are important in these interactions. Multipolar analysis is in agreement with experimental results, suggesting quantum chemistry methods as an adequate methodology to understand these interactions

  7. To what extent can aerosol water explain the discrepancy between model calculated and gravimetric PM10 and PM2.5?

    Directory of Open Access Journals (Sweden)

    S. G. Tsyro

    2005-01-01

    Full Text Available Inter-comparisons of European air quality models show that regional transport models, including the EMEP (Co-operative Programme for monitoring and evaluation of the long-range transmission of air pollutants in Europe aerosol model, tend to underestimate the observed concentrations of PM10 and PM2.5. Obviously, an accurate representation of the individual aerosol constituents is a prerequisite for adequate calculation of PM concentrations. On the other hand, available measurements on the chemical characterization of ambient particles reveal that full chemical PM mass closure is rarely achieved. The fraction unaccounted for by chemical analysis can comprise as much as 30-40% of gravimetric PM10 or PM2.5 mass. The unaccounted PM mass can partly be due to non-C atoms in organic aerosols and/or due to sampling and measurement artefacts. Moreover, a part of the unaccounted PM mass is likely to consist of water associated with particles. Thus, the gravimetrically measured particle mass does not necessarily represent dry PM10 and PM2.5 mass. This is thought to be one of the reasons for models under-prediction of observed PM, if calculated dry PM10 and PM2.5 concentrations are compared with measurements. The EMEP aerosol model has been used to study to what extent particle-bound water can explain the chemically unidentified PM mass in filter-based particle samples. Water content of PM2.5 and PM10 has been estimated with the model for temperature 20°C and relative humidity 50%, which are conditions required for equilibration of dust-loaded filters according to the Reference method recommended by the European Committee for Standardization (CEN. Model calculations for Europe show that, depending on particle composition, particle-bound water constitutes 20-35% of the annual mean PM10 and PM2.5 concentrations, which is consistent with existing experimental estimates. At two Austrian sites, in Vienna and Streithofen, where daily measurements of PM2.5 mass

  8. Time-dependent magnetization of a type-II superconductor numerically calculated by using the flux-creep equation

    International Nuclear Information System (INIS)

    Lee, J. H.; Park, I. S.; Ahmad, D.; Kim, D.; Kim, Y. C.; Ko, R. K.; Jeong, D. Y.

    2012-01-01

    The macroscopic magnetic behaviors of a type-II superconductor, such as the field- or the temperature-dependent magnetization, have been described by using critical state models. However, because the models are time-independent, the magnetic relaxation in a type-II superconductor cannot be described by them, and the time dependence of the magnetization can affect the field or the temperature-dependent magnetization curve described by the models. In order to avoid the time independence of critical state models, we try the numerical calculation used by Qin et al., who mainly calculated the temperature dependence of the ac susceptibility χ(T). Their calculation showed that the frequency-dependent χ(T) could be obtained by using the flux-creep equation. We calculated the field-dependent magnetization and magnetic relaxation by using a numerical method. The calculated field-dependent magnetization M(H) curves shows the shapes of a typical type-II superconductor. The calculated magnetic relaxation do not show a logarithmic decay of the magnetization, but the addition of a surface barrier to the relaxation calculation caused a clear logarithmic decay of the magnetization, producing a crossover at a mid-time. This means that the logarithmic magnetic relaxation is caused by not only flux creep but also a combination of flux creep and a surface barrier.

  9. Synthesis of 2D polymeric dicyanamide bridged hexa-coordinated Cu(II) complex: Structural characterization, spectral studies and TDDFT calculation

    Science.gov (United States)

    Konar, Saugata; Saha, Urmila; Dolai, Malay; Chatterjee, Sudipta

    2014-10-01

    A rare 2D polymeric dicyanamide bridged hexa-coordinated copper(II) complex [Cu(L1‧)(μ1,5-dca)2]n (1) (L1‧ = 2-carboxypyrazine) has been synthesized from the reaction of Cu(NO3)2ṡ6H2O, 2-pyrazinecarbonitrile (L1) and sodium dicyanamide (Nadca) in methanolic medium. Single crystal X-ray analysis reveals that the complex has a 2D infinite zigzag chain structure in which copper(II) ions are bridged by single dicyanamide ligand in an end-to-end fashion. Such 2-carboxypyrazine can be obtained on the way of metal-assisted nitrile hydrolysis which well connected with Cu(NO3)2ṡ6H2O and dicyanamide (dca) to give rare 2D Cu(II) polymeric complex due to the flexibility in the coordination ability of the copper(II) ions within the polymeric chain. The geometry of the asymmetric unit of the complex was optimized in singlet state by DFT method with multilayer ONIOM model at doublet spin state accordance with repeating asymmetric unit only. The electronic spectrum of the complex is explained using TDDFT calculation.

  10. Calculation of the magnetic vector potential in the TJ-II; Calculo del Potencial Magnetico Vector en el TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Lopez Fraguas, A.; Lopez Bruna, D.; Romero, J. A.

    2005-07-01

    The properties of the vector magnetic potential and its usefulness to calculate magnetic fluxes in both stationary and time-dependent conditions are p revised in this report. We have adapted to the TJ-II Flexible Heliac efficient numerical expressions to calculate the vector potential, calculating in addition the magnetic flux with this formalism in circumstances whose complexity makes very convenient the use of the vector potential. The result on induced voltages offer theoretical support to the measurements of induced voltage due to the OH coils in the plasma, like the measurements provided by the loop voltage diagnostic installed in the TJ-II, as well as to the cylindrical approximation of the plasma often used to interpret experimental data. (Author) 11 refs.

  11. Safety I-II, resilience and antifragility engineering: a debate explained through an accident occurring on a mobile elevating work platform.

    Science.gov (United States)

    Martinetti, Alberto; Chatzimichailidou, Maria Mikela; Maida, Luisa; van Dongen, Leo

    2018-04-24

    Occupational health and safety (OHS) represents an important field of exploration for the research community: in spite of the growth of technological innovations, the increasing complexity of systems involves critical issues in terms of degradation of the safety levels. In such a situation, new safety management approaches are now mandatory in order to face the safety implications of the current technological evolutions. Along these lines, performing risk-based analysis alone seems not to be enough anymore. The evaluation of robustness, antifragility and resilience of a socio-technical system is now indispensable in order to face unforeseen events. This article will briefly introduce the topics of Safety I and Safety II, resilience engineering and antifragility engineering, explaining correlations, overlapping aspects and synergies. Secondly, the article will discuss the applications of those paradigms to a real accident, highlighting how they can challenge, stimulate and inspire research for improving OHS conditions.

  12. Adducts of nitrogenous ligands with rhodium(II) tetracarboxylates and tetraformamidinate: NMR spectroscopy and density functional theory calculations.

    Science.gov (United States)

    Cmoch, Piotr; Głaszczka, Rafał; Jaźwiński, Jarosław; Kamieński, Bohdan; Senkara, Elżbieta

    2014-03-01

    Complexation of tetrakis(μ2-N,N'-diphenylformamidinato-N,N')-di-rhodium(II) with ligands containing nitrile, isonitrile, amine, hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups has been studied in liquid and solid phases using (1)H, (13)C and (15)N NMR, (13)C and (15)N cross polarisation-magic angle spinning NMR, and absorption spectroscopy in the visible range. The complexation was monitored using various NMR physicochemical parameters, such as chemical shifts, longitudinal relaxation times T1 , and NOE enhancements. Rhodium(II) tetraformamidinate selectively bonded only unbranched amine (propan-1-amine), pentanenitrile, and (1-isocyanoethyl)benzene. No complexation occurred in the case of ligands having hydroxyl, sulfhydryl, isocyanate, and isothiocyanate functional groups, and more expanded amine molecules such as butan-2-amine and 1-azabicyclo[2.2.2]octane. Such features were opposite to those observed in rhodium(II) tetracarboxylates, forming adducts with all kind of ligands. Special attention was focused on the analysis of Δδ parameters, defined as a chemical shift difference between signal in adduct and corresponding signal in free ligand. In the case of (1)H NMR, Δδ values were either negative in adducts of rhodium(II) tetraformamidinate or positive in adducts of rhodium(II) tetracarboxylates. Experimental findings were supported by density functional theory molecular modelling and gauge independent atomic orbitals chemical shift calculations. The calculation of chemical shifts combined with scaling procedure allowed to reproduce qualitatively Δδ parameters. Copyright © 2013 John Wiley & Sons, Ltd.

  13. New STO(II-3Gmag family basis sets for the calculations of the molecules magnetic properties

    Directory of Open Access Journals (Sweden)

    Karina Kapusta

    2015-10-01

    Full Text Available An efficient approach for construction of physically justified STO(II-3Gmag family basis sets for calculation of molecules magnetic properties has been proposed. The procedure of construction based upon the taken into account the second order of perturbation theory in the magnetic field case. Analytical form of correction functions has been obtained using the closed representation of the Green functions by the solution of nonhomogeneous Schrödinger equation for the model problem of "one-electron atom in the external uniform magnetic field". Their performance has been evaluated for the DFT level calculations carried out with a number of functionals. The test calculations of magnetic susceptibility and 1H nuclear magnetic shielding tensors demonstrated a good agreement of the calculated values with the experimental data.

  14. Modeling of radionuclide transport through rock formations and the resulting radiation exposure of reference persons. Calculations using Asse II parameters

    International Nuclear Information System (INIS)

    Kueppers, Christian; Ustohalova, Veronika; Steinhoff, Mathias

    2012-01-01

    The long-term release of radioactivity into the ground water path cannot be excluded for the radioactive waste repository Asse II. The possible radiological consequences were analyzed using a radio-ecological scenario developed by GRS. A second scenario was developed considering the solubility of radionuclides in salt saturated solutions and retarding/retention effects during the radionuclide transport through the cap rock layers. The modeling of possible radiation exposure was based on the lifestyle habits of reference persons. In Germany the calculation procedure for the prediction of radionuclide release from final repositories is not defined by national standards, the used procedures are based on analogue methods from other radiation protection calculations.

  15. Benchmark calculations on residue production within the EURISOL DS project; Part II: thick targets

    CERN Document Server

    David, J.-C; Boudard, A; Doré, D; Leray, S; Rapp, B; Ridikas, D; Thiollière, N

    Benchmark calculations on residue production using MCNPX 2.5.0. Calculations were compared to mass-distribution data for 5 different elements measured at ISOLDE, and to specific activities of 28 radionuclides in different places along the thick target measured in Dubna.

  16. Calculation of shielding needed at the wall where cobalt therapy unit Alcyon II is installed

    International Nuclear Information System (INIS)

    Morales M, F.

    1994-01-01

    Calculations of shielding at the wall to avoid scattering radiation for the personnel and population were performed. The position of the shielding door was corrected because before it had been placed in front of the beams, thus producing excessive radiation to the operator and personnel and patients. The calculations were based on the German standard (DIN)

  17. Complexity explained

    CERN Document Server

    Erdi, Peter

    2008-01-01

    This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

  18. Relationship of blood lead levels and blood pressure in NHANES II: additional calculations

    International Nuclear Information System (INIS)

    Gartside, P.S.

    1988-01-01

    In performing research for associations and relationships among the data thus far published from the NHANES II survey, only the data for the 64 communities involved may be used. The simple omission of a few essential data makes impossible any valid analysis from the data for the 20,325 individual respondents. In this research for associations between blood lead levels and blood pressure in NHANES II, the method of forward stepwise regression was used. This avoids the problem of inflated error rates for blood lead, maximizes the number of data analyzed, and minimizes the number of independent variables entered into the regression model, thus avoiding the pitfalls that previous NHANES II research of blood lead and blood pressure has fallen into when using backward stepwise regression. The results of this research for white male adults, white female adults, and black adults were contradictory and lacked consistency and reliability. In addition, the overall average association between blood lead level and blood pressure was so minute that the only rational conclusion is that there is no evidence for this association to be found in the NHANES II data

  19. CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. II. P-TYPE BINARIES

    International Nuclear Information System (INIS)

    Haghighipour, Nader; Kaltenegger, Lisa

    2013-01-01

    We have developed a comprehensive methodology for calculating the circumbinary habitable zone (HZ) in planet-hosting P-type binary star systems. We present a general formalism for determining the contribution of each star of the binary to the total flux received at the top of the atmosphere of an Earth-like planet and use the Sun's HZ to calculate the inner and outer boundaries of the HZ around a binary star system. We apply our calculations to the Kepler's currently known circumbinary planetary systems and show the combined stellar flux that determines the boundaries of their HZs. We also show that the HZ in P-type systems is dynamic and, depending on the luminosity of the binary stars, their spectral types, and the binary eccentricity, its boundaries vary as the stars of the binary undergo their orbital motion. We present the details of our calculations and discuss the implications of the results

  20. CALCULATING THE HABITABLE ZONE OF BINARY STAR SYSTEMS. II. P-TYPE BINARIES

    Energy Technology Data Exchange (ETDEWEB)

    Haghighipour, Nader [Institute for Astronomy and NASA Astrobiology Institute, University of Hawaii-Manoa, Honolulu, HI 96822 (United States); Kaltenegger, Lisa [MPIA, Koenigstuhl 17, Heidelberg, D-69117 (Germany)

    2013-11-10

    We have developed a comprehensive methodology for calculating the circumbinary habitable zone (HZ) in planet-hosting P-type binary star systems. We present a general formalism for determining the contribution of each star of the binary to the total flux received at the top of the atmosphere of an Earth-like planet and use the Sun's HZ to calculate the inner and outer boundaries of the HZ around a binary star system. We apply our calculations to the Kepler's currently known circumbinary planetary systems and show the combined stellar flux that determines the boundaries of their HZs. We also show that the HZ in P-type systems is dynamic and, depending on the luminosity of the binary stars, their spectral types, and the binary eccentricity, its boundaries vary as the stars of the binary undergo their orbital motion. We present the details of our calculations and discuss the implications of the results.

  1. Verification of Monte Carlo calculations of the neutron flux in the carousel channels of the TRIGA Mark II reactor, Ljubljana

    International Nuclear Information System (INIS)

    Jacimovic, R.; Maucec, M.; Trkov, A.

    2002-01-01

    In this work experimental verification of Monte Carlo neutron flux calculations in the carousel facility (CF) of the 250 kW TRIGA Mark II reactor at the Jozef Stefan Institute is presented. Simulations were carried out using the Monte Carlo radiation-transport code, MCNP4B. The objective of the work was to model and verify experimentally the azimuthal variation of neutron flux in the CF for core No. 176, set up in April 2002. '1'9'8Au activities of Al-Au(0.1%) disks irradiated in 11 channels of the CF covering 180'0 around the perimeter of the core were measured. The comparison between MCNP calculation and measurement shows relatively good agreement and demonstrates the overall accuracy with which the detailed spectral characteristics can be predicted by calculations.(author)

  2. Calculation of uncertainties associated to environmental radioactivity measurements and their functions. Practical Procedure II

    International Nuclear Information System (INIS)

    Gascon, C.; Anton, M.P.

    1997-01-01

    Environmental radioactivity measurements are mainly affected by counting uncertainties. In this report the uncertainties associated to certain functions related to activity concentration calculations are determined. Some practical exercise are presented to calculate the uncertainties associated to: a) Chemical recovery of a radiochemical separation when employing tracers (i.e. Pu and Am purification from a sediment sample). b) Indirect determination of a mother radionuclide through one of its daughters (i. e. ''210 Pb quantification following its daughter ''210 Po building-up activity). c) Time span from last separation date of one of the components of a disintegration chain (i.e. Am last purification date from a nuclear weapons following ''241 Am and ''241 Pu measurements). Calculations concerning example b) and c) are based on Baterman equations, regulating radioactive equilibria. Although the exercises here presented are performed with certain radionuclides, they could be applied as generic procedures for other alpha-emitting radioelements

  3. Large-dimension configuration-interaction calculations of positron binding to the group-II atoms

    International Nuclear Information System (INIS)

    Bromley, M. W. J.; Mitroy, J.

    2006-01-01

    The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e + Be, e + Mg, e + Ca, and e + Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l→∞ limit. The binding energies were 0.00317 hartree for e + Be, 0.0170 hartree for e + Mg, 0.0189 hartree for e + Ca, and 0.0131 hartree for e + Sr

  4. Modeling of He-N(+) clusters. II. Calculation of He-3(+) vibrational spectrum

    Czech Academy of Sciences Publication Activity Database

    Karlický, F.; Lepetit, B.; Kalus, R.; Paidarová, Ivana; Gadéa, F. X.

    2008-01-01

    Roč. 128, č. 12 (2008), 124303-1-11 ISSN 0021-9606 R&D Projects: GA ČR GA203/04/2146 Institutional research plan: CEZ:AV0Z40400503 Keywords : potential energy surface * ab-initio calculation * near-infrared spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.149, year: 2008

  5. Model calculations on LIS. II1. 2-, 3- and 7-substituted indanones

    International Nuclear Information System (INIS)

    Hofer, O.

    1979-01-01

    The space close to the coordination site of 1-indanone is modified systematically by placing alkyl groups of different bulkiness on C-2, C-3 and C-7, resp. The 1 H-LIS for the compounds are interpreted using the one site and two site model for carbonyl. Precautionary measures are discussed for both models to give reliable results in the calculation. (author)

  6. On the calculation of hydrostatic pressures with SIMMER-II and the problem of connected tubes

    International Nuclear Information System (INIS)

    Schmuck, P.; Kleinheins, S.

    1988-07-01

    SIMMER simulations of flows in connected tubes exhibited non-physical movement of liquid under gravity. Analytical expressions are developed to evaluate the reasons for this effect and are used as a basis for proposals to keep the error small in SIMMER calculations. The effectiveness of the proposals is demonstrated by SIMMER code simulations of some numerical examples. (orig.) [de

  7. SCINFI II A program to calculate the standardization curve in liquid scintillation counting

    Energy Technology Data Exchange (ETDEWEB)

    Grau Carles, A.; Grau Malonda, A.

    1985-07-01

    A code, SCINFI II, written in BASIC, has been developed to compute the efficiency-quench standardization curve for any beta radionuclide. The free parameter method has been applied. The program requires the standardization curve for 3{sup H} and the polynomial or tabulated relating counting efficiency as figure of merit for both 3{sup H} and the problem radionuclide. The program is applied to the computation, of the counting efficiency for different values of quench when the problem is 14{sup C}. The results of four different computation methods are compared. (Author) 17 refs.

  8. SCINFI II A program to calculate the standardization curve in liquid scintillation counting

    International Nuclear Information System (INIS)

    Grau Carles, A.; Grau Malonda, A.

    1985-01-01

    A code, SCINFI II, written in BASIC, has been developed to compute the efficiency-quench standardization curve for any beta radionuclide. The free parameter method has been applied. The program requires the standardization curve for 3 H and the polynomial or tabulated relating counting efficiency as figure of merit for both 3 H and the problem radionuclide. The program is applied to the computation, of the counting efficiency for different values of quench when the problem is 14 C . The results of four different computation methods are compared. (Author) 17 refs

  9. Analysis of JSI TRIGA MARK II reactor physical parameters calculated with TRIPOLI and MCNP.

    Science.gov (United States)

    Henry, R; Tiselj, I; Snoj, L

    2015-03-01

    New computational model of the JSI TRIGA Mark II research reactor was built for TRIPOLI computer code and compared with existing MCNP code model. The same modelling assumptions were used in order to check the differences of the mathematical models of both Monte Carlo codes. Differences between the TRIPOLI and MCNP predictions of keff were up to 100pcm. Further validation was performed with analyses of the normalized reaction rates and computations of kinetic parameters for various core configurations. Copyright © 2014 Elsevier Ltd. All rights reserved.

  10. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses

    Science.gov (United States)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-11-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. The principles used to provide supplemental shielding to the NSLS-II accelerators and the lessons learned from this process are presented.

  11. Calculation of Scattering Amplitude Without Partial Analysis. II; Inclusion of Exchange

    Science.gov (United States)

    Temkin, Aaron; Shertzer, J.; Fisher, Richard R. (Technical Monitor)

    2002-01-01

    There was a method for calculating the whole scattering amplitude, f(Omega(sub k)), directly. The idea was to calculate the complete wave function Psi numerically, and use it in an integral expression for f, which can be reduced to a 2 dimensional quadrature. The original application was for e-H scattering without exchange. There the Schrodinger reduces a 2-d partial differential equation (pde), which was solved using the finite element method (FEM). Here we extend the method to the exchange approximation. The S.E. can be reduced to a pair of coupled pde's, which are again solved by the FEM. The formal expression for f(Omega(sub k)) consists two integrals, f+/- = f(sub d) +/- f(sub e); f(sub d) is formally the same integral as the no-exchange f. We have also succeeded in reducing f(sub e) to a 2-d integral. Results will be presented at the meeting.

  12. Evolution in time of an N-atom system. II. Calculation of the eigenstates

    International Nuclear Information System (INIS)

    Rudolph, Terry; Yavin, Itay; Freedhoff, Helen

    2004-01-01

    We calculate the energy eigenvalues and eigenstates corresponding to coherent single and multiple excitations of a number of different arrays of N identical two-level atoms (TLA's) or qubits, including polygons, 'diamond' structures, polygon multilayers, icosahedra, and dodecahedra. We assume only that the coupling occurs via an exchange interaction which depends on the separation between the atoms. We include the interactions between all pairs of atoms, and our results are valid for arbitrary separations relative to the radiation wavelength

  13. On Phonons in Simple Metals II. Calculated Dispersion Curves In Aluminium

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, R [AB Atomenergi, Nykoeping (Sweden); Westin, A [Dept. of Theore tical Physics, Univ. of Uppsala, Uppsala (Sweden)

    1969-07-15

    The real part of the dynamical matrix, derived earlier in a weak local potential ion-electron interaction model of the metal, is investigated in the case of aluminium. It is shown that the free electron, or Lindhard, dielectric function leads to a picture of the metal which is inconsistent with the dHvA observations of the Fermi surface. By adjusting one parameter, however, the experimental phonon frequencies are reproduced satisfactorily. Even some simple structure in the derivative d{omega}/dq can be reproduced in this way. Although corrections to the Lindhard dielectric matrix give no essential contributions to the dynamical matrix, the first order corrections, which are the most important, can explain the observed Fermi surface. Much of the observed structure in the phonon dispersion curves seems also to be due to these non-diagonal terms in the dielectric matrix.

  14. EBR-II Static Neutronic Calculations by PHISICS / MCNP6 codes

    Energy Technology Data Exchange (ETDEWEB)

    Paolo Balestra; Carlo Parisi; Andrea Alfonsi

    2016-02-01

    The International Atomic Energy Agency (IAEA) launched a Coordinated Research Project (CRP) on the Shutdown Heat Removal Tests (SHRT) performed in the '80s at the Experimental fast Breeder Reactor EBR-II, USA. The scope of the CRP is to improve and validate the simulation tools for the study and the design of the liquid metal cooled fast reactors. Moreover, training of the next generation of fast reactor analysts is being also considered the other scope of the CRP. In this framework, a static neutronic model was developed, using state-of-the art neutron transport codes like SCALE/PHISICS (deterministic solution) and MCNP6 (stochastic solution). Comparison between both solutions is briefly illustrated in this summary.

  15. Coupled 3D neutronic and thermohydraulic calculations for a compact fuel element with disperse UMo fuel at FRM II

    International Nuclear Information System (INIS)

    Breitkreutz, H.; Roehrmoser, A.; Petry, W.

    2010-01-01

    The newly developed X 2 program system is intended to be used for high-detail 3D calculations on compact research reactor cores. Using this system, the efforts to calculate scenarios for a new fuel element for FRM II using disperse UMo (8wt% Mo, 50% enrichment) are continued. By now, a radial symmetric core model with averaged built-in components for the D 2 O tank is used. Two different scenarios are compared: The minimum fuel density of 7.5 g U/cm 3 and 8.0 g U/cm 3 with 60 days cycle length. In addition, two 'flux loss compensating' scenarios based on 8.0 g U/cm 3 with 10% higher power/longer reactor cycles are regarded. (author)

  16. Simple nonempirical calculations of the zero-field splitting in transition metal systems: I. The Ni(II)-water complexes

    International Nuclear Information System (INIS)

    Ribbing, C.; Odelius, M.; Laaksonen, A.; Kowalewski, J.; Roos, B.

    1990-01-01

    A simple nonempirical scheme is presented for calculating the splittings of ground state multiplets (the zero-field splitting) is transition metal complexes. The method employs single reference, single excitation CI calculations based on open-shell RHF. The spin-orbit coupling is described using an effective one-electron, one-center operators. The method is applied to the triplet state Ni(II) complexes with one to six water molecules. the validity of the second-order perturbation theory approach and of the spin-Hamiltonian formalism is found to be limited to slightly distorted octahedral systems. Generally, small changes in the geometries of the complexes are found to cause substantial variations of the splitting pattern

  17. Statistical Average of Spin Operators for Calculation of Three-Component Magnetization (II): Solution of Equation

    International Nuclear Information System (INIS)

    Wang Huaiyu; Long Yao; Chen Nanxian

    2006-01-01

    In this paper, the solution of Chebyshev equation with its argument being greater than 1 is obtained. The initial value of the derivative of the solution is the expression of magnetization, which is valid for any spin quantum number S. The Chebyshev equation is transformed from an ordinary differential equation obtained when we dealt with Heisenberg model, in order to calculate all three components of magnetization, by many-body Green's function under random phase approximation. The Chebyshev functions with argument being greater than 1 are discussed. This paper shows that the Chebyshev polynomials with their argument being greater than 1 have their physical application.

  18. Integral method for the calculation of Hawking radiation in dispersive media. II. Asymmetric asymptotics.

    Science.gov (United States)

    Robertson, Scott

    2014-11-01

    Analog gravity experiments make feasible the realization of black hole space-times in a laboratory setting and the observational verification of Hawking radiation. Since such analog systems are typically dominated by dispersion, efficient techniques for calculating the predicted Hawking spectrum in the presence of strong dispersion are required. In the preceding paper, an integral method in Fourier space is proposed for stationary 1+1-dimensional backgrounds which are asymptotically symmetric. Here, this method is generalized to backgrounds which are different in the asymptotic regions to the left and right of the scattering region.

  19. Broadband impedance calculations and single bunch instabilities estimations of of the HLS-II storage ring

    Science.gov (United States)

    Zhang, Qing-Kun; Wang, Lin; Li, Wei-Min; Gao, Wei-Wei

    2015-12-01

    The upgrade project of the Hefei Light Source storage ring is under way. In this paper, the broadband impedances of resistive wall and coated ceramic vacuum chamber are calculated using the analytic formula, and the wake fields and impedances of other designed vacuum chambers are simulated by CST code, and then a broadband impedance model is obtained. Using the theoretical formula, longitudinal and transverse single bunch instabilities are discussed. With the carefully-designed vacuum chamber, we find that the thresholds of the beam instabilities are higher than the beam current goal. Supported by Natural Science Foundation of China (11175182, 11175180)

  20. SPSS explained

    CERN Document Server

    Hinton, Perry R; Brownlow, Charlotte

    2014-01-01

    SPSS Explained provides the student with all that they need to undertake statistical analysis using SPSS. It combines a step-by-step approach to each procedure with easy to follow screenshots at each stage of the process. A number of other helpful features are provided: regular advice boxes with tips specific to each test explanations divided into 'essential' and 'advanced' sections to suit readers at different levels frequently asked questions at the end of each chapter. The first edition of this popular book has been fully updated for IBM SPSS version 21 and also includes: chapters that expl

  1. Modeling and calculation of RKKY exchange coupling to explain Ti-vacancy-induced ferromagnetism in Ta-doped TiO2

    Science.gov (United States)

    Majidi, Muhammad Aziz; Bupu, Annamaria; Fauzi, Angga Dito

    2017-12-01

    We present a theoretical study on Ti-vacancy-induced ferromagnetism in anatase TiO2. A recent experimental study has revealed room temperature ferromagnetism in Ta-doped anatase TiO2thin films (Rusydi et al., 2012) [7]. Ta doping assists the formation of Ti vacancies which then induce the formation of localized magnetic moments around the Ti vacancies. As neighboring Ti vacancies are a few unit cells apart, the ferromagnetic order is suspected to be mediated by itinerant electrons. We propose that such an electron-mediated ferromagnetism is driven by Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction. To examine our hypothesis, we construct a tight-binding based model Hamiltonian for the anatase TiO2 system. We calculate the RKKY exchange coupling constant of TiO2 as a function of distance between local magnetic moments at various temperatures. We model the system by taking only the layer containing a unit of TiO2, at which the Ti vacancy is believed to form, as our effective two-dimensional unit cell. Our model incorporates the Hubbard repulsive interactions between electrons occupying Ti d orbitals treated within mean-field approximation. The density of states profile resulting from the model captures the relevant electronic properties of TiO2, such as the energy gap of 3.4 eV and the n-type character, which may be a measure of the adequacy of the model. The calculated RKKY coupling constant shows that the ferromagnetic coupling extends up to 3-4 unit cells and enhances slightly as temperature is increased from 0 to 400 K. These results support our hypothesis that the ferromagnetism of this system is driven by RKKY mechanism.

  2. Weather data for simplified energy calculation methods. Volume II. Middle United States: TRY data

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 22 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  3. Calculation of Rates of 4p–4d Transitions in Ar II

    Directory of Open Access Journals (Sweden)

    Alan Hibbert

    2017-02-01

    Full Text Available Recent experimental work by Belmonte et al. (2014 has given rates for some 4p–4d transitions that are significantly at variance with the previous experimental work of Rudko and Tang (1967 recommended in the NIST tabulations. To date, there are no theoretical rates with which to compare. In this work, we provide such theoretical data. We have undertaken a substantial and systematic configuration interaction calculation, with an extrapolation process applied to ab initio mixing coefficients, which gives energy differences in agreement with experiment. The length and velocity forms give values that are within 10%–15% of each other. Our results are in sufficiently close agreement with those of Belmonte et al. that we can confidently recommend that their results are much more accurate than the early results of Rudko and Tang, and should be adopted in place of the latter.

  4. 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.

  5. Calculation of the Full Scattering Amplitude without Partial Wave Decomposition II

    Science.gov (United States)

    Shertzer, J.; 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) can be reduced to a 2d partial differential equation (pde), and was solved using the finite element method. We have now included exchange by solving the resultant SE, in the static exchange approximation. The resultant equation can be reduced to a pair of coupled pde's, to which the finite element method can still be applied. The resultant scattering amplitudes, both singlet and triplet, as a function of angle can be calculated for various energies. The results are in excellent agreement with converged partial wave results.

  6. Calculation of the thermal stress and thermal resistance of anisotropic materials. II

    Energy Technology Data Exchange (ETDEWEB)

    Krivko, A I; Epishin, A I; Svetlov, I L; Samoilov, A I; Sukhanov, N N

    1989-04-01

    The stressed state in a wedge and in a family of plates cut from single-crystal ingots of 40 axial orientations is analyzed. It is shown that, in contrast to the case of the wedge, the value of the thermal stress tensor components in the plates depends substantially not only on the axial crystallographic orientation but also on the azimuthal orientation. Requirements on the crystallographic orientation of simple single-crystal parts of plate or wedge type are formulated with the aim of decreasing the detrimental effects of thermal stresses. The correctness of the calculations is confirmed by results of thermal fatigue tests of hollow prismatic specimens, i.e., blade simulators with 001, 011, and 111 axial orientations.

  7. Astronomy Explained

    Science.gov (United States)

    North, Gerald

    Every year large numbers of people take up the study of astronomy, mostly at amateur level. There are plenty of elementary books on the market, full of colourful photographs, but lacking in proper explanations of how and why things are as they are. Many people eventually wish to go beyond the 'coffee-table book' stage and study this fascinating subject in greater depth. This book is written for them. In addition, many people sit for public examinations in this subject each year and this book is also intended to be of use to them. All the topics from the GCSE syllabus are covered here, with sample questions at the end of each chapter. Astronomy Explained provides a comprehensive treatment of the subject in more depth than is usually found in elementary works, and will be of interest to both amateur astronomers and students of astronomy.

  8. WAP explained

    International Nuclear Information System (INIS)

    Kaiser, M.J.; Pulsipher, A.G.

    2004-01-01

    The Weatherization Assistance Program (WAP) is a federal block grant program administered by all 50 states and the District of Columbia through community action agencies, state energy offices, local government, and other nonprofit organizations to provide weatherization services to eligible households. The WAP was established in 1976 to increase the energy efficiency, reduce the energy expenditures, and improve the health and safety of low-income households, especially those households that are particularly vulnerable such as families with children, persons with disabilities, and the elderly. The manner in which WAP funds have been allocated to states, however, has been a contentious issue since the inception of the program. Southern states have argued that too much of the federal funding goes to cold-climate and rural states. Northern states disagree. In 1990, Congress amended the Energy Conservation and Production Act and required the Department of Energy to develop a new funding formula. The Department of Energy currently uses a three-factor formula developed in 1995 in conjunction with a two-factor formula developed in 1977 and a hold-harmless provision to allocate WAP funding. The purpose of this paper is to explain the WAP allocation mechanism and the assumptions associated with the 1977 and the 1995 funding formula. The factors that compose each funding formula are critically assessed and various implementation issues are reviewed, including the selection of the trigger point and program capacity levels. It is not possible to define the need for weatherization assistance objectively and in a unique manner, and this ambiguity is the main reason why the WAP allocation mechanism is expected to remain a lively topic of debate and contention

  9. First-principles calculations of the II-VI semiconductor β-HgS: Metal or semiconductor

    International Nuclear Information System (INIS)

    Delin, A.

    2002-06-01

    Relativistic all-electron full-potential first-principles calculations have been performed in order to study the symmetry of the energy levels around the valence band maximum in the zinc blende II-VI semiconductors β-HgS, HgSe, and HgTe. It is demonstrated that in general, an inverted band-structure does not necessarily lead to a zero fundamental energy gap for systems with zinc blende symmetry. Specifically, β-HgS is found to have at the same time an inverted band structure, and a small, slightly indirect, fundamental energy gap. Possibly, the energy levels around the valence band maximum order differently in each of these systems. (author)

  10. Calculation of the magnetic flux density distribution in type-II superconductors with finite thickness and well-defined geometry

    International Nuclear Information System (INIS)

    Forkl, A.; Kronmueller, H.

    1995-01-01

    The distribution of the critical current density j c (r) in hard type-II superconductors depends strongly on their sample geometry. Rules are given for the construction of j c (r). Samples with homogeneous thickness are divided into cakelike regions with a unique current direction. The spatial magnetic flux density distribution and the magnetic polarization of such a cakelike unit cell with homogeneous current density are calculated analytically. The magnetic polarization and magnetic flux density distribution of a superconductor in the mixed state is then given by an adequate superposition of the unit cell solutions. The theoretical results show good agreement with magneto-optically determined magnetic flux density distributions of a quadratic thin superconducting YBa 2 Cu 3 O 7-x film. The current density distribution is discussed for several sample geometries

  11. Calculation of DND-signals in case of fuel pin failures in KNK II with the computer code FICTION III

    International Nuclear Information System (INIS)

    Schmuck, I.

    1990-11-01

    In KNK II two delayed neutron detectors are installed for quick detection of fuel subassembly cladding failures. They record the release of the precursors of the emitters of delayed neutrons into the sodium. The computer code FICTION III calculates the expected delayed neutron signals for certain fuel pin failures, where the user has to set the boundary conditions interactively. In view of FICTION II the advancement of FICTION III consists of the following items: application of the data sets of 105 isotopes, distinction of thermal and fast neutron induced fission, partitioning of the sodium flow into two circuits, consideration of the specific fission rates in 10 fuel pin sections, elaboration of the user's interaction possibilities for input/ output. The capability of FICTION III is shown by means of two applications (UNi-test pin on position 100 and the third KNK fuel subassembly cladding failure). Object of further evaluations will be among other things the analysis of increased delayed neutron signals in regard to the fault location and dimension

  12. A user`s guide to LUGSAN II. A computer program to calculate and archive lug and sway brace loads for aircraft-carried stores

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, W.N. [Sandia National Labs., Albuquerque, NM (United States). Mechanical and Thermal Environments Dept.

    1998-03-01

    LUG and Sway brace ANalysis (LUGSAN) II is an analysis and database computer program that is designed to calculate store lug and sway brace loads for aircraft captive carriage. LUGSAN II combines the rigid body dynamics code, SWAY85, with a Macintosh Hypercard database to function both as an analysis and archival system. This report describes the LUGSAN II application program, which operates on the Macintosh System (Hypercard 2.2 or later) and includes function descriptions, layout examples, and sample sessions. Although this report is primarily a user`s manual, a brief overview of the LUGSAN II computer code is included with suggested resources for programmers.

  13. The ion exchange and its connection the industry II.- Calculation methods for installations; El cambio de ion y su relacion con la industria II.- Metodos de calculo de instalaciones

    Energy Technology Data Exchange (ETDEWEB)

    Uriarte Hueda, A; Lopez Perez, B; Gutierrez Jodra, L

    1960-07-01

    An exposure is made of calculation methods for ion exchange installations based on kinetic considerations and similarity with other unitary operations. Factors to be experimentally obtained as well as difficulties which may occur in its determination are also given. Calculation procedures most commonly used in industry are enclosed and explained with numerical resolution of a problem of water demineralization. (Author) 22 refs.

  14. Measurements and calculations for determination of discharge of 41Ar from IFEs research reactor JEEP II at Kjeller, Norway

    International Nuclear Information System (INIS)

    Raaum, A.; Straelberg, E.

    2003-01-01

    41 Ar is formed by neutron irradiation of 40 Ar, which occurs naturally in air with a concentration of 9300 ppm. The discharge of 41 Ar from IFEs research reactor Jeep II is yearly reported to the Norwegian Radiation Protection Authority (NRPA). Until year 2000 the reported values were based on theoretical calculations of produced 41 Ar per operating hour of 6.8 GBq/h. During 2000 and 2001 the reactor was upgraded to increase the irradiation capacity and to meet the markets demand for irradiation of 5'Si-crystalls. After the upgrading, measurements and calculations were initiated to determine the new discharge rate for 41 Ar. During reactor operation an approximately constant discharge of 41 Ar is expected, mainly due to irradiation of air in open beam channels. In addition 41 Ar is released from irradiation pockets when they are opened to transfer samples in and out during reactor stop. The new value for discharge rate was determined from measurements of air samples from the discharge channel during operation and theoretical calculations of the release from the irradiation pockets. The new discharge rate was determined to 5.9 ± 0.5 GBq/h, which is a small reduction compared to the former value of 6.8 GBq/h. A small reduction in discharge rate was expected because the number of air-filled irradiation pockets was reduced after the upgrading. In a normal year the discharge of 41 Ar will be about 2 % of the Institutes discharge permission. (orig.)

  15. NBI Calculations for the TJ-II Experimental Discharges; Ajustes de los Perfiles Radiales de Densidad y Temperatura para las Descargas con NBI del TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Guasp, J.; Fuentes, C.; Liniers, M.

    2005-07-01

    The density and electron temperature radial profiles, corresponding to the experimental TJ-II campaigns 2003-2004, with NBI, have been fitted to simple functionals in order to allow a fast approximative evaluation for any given density and injected power... The fits have been calculated, separately, for the four possibilities: ECRH and NBI Phases as well as On and Off Axis ECRH injection. The average difference between the experimental profiles for the individual discharges and the fit predictions are around 8% for the density and 10% for the temperature. The behaviour of the predicted profiles with average line density and injected power has been analysed. The central electron temperature decreases monotonically with increasing density and the ECRH phase On Axis central value is clearly higher than the Off axis one. The radial density profiles narrow with increasing density and the NBI On axis case is clearly wider than de Off one. The electron temperature profile widens slightly with increasing density and the width of the On Axix case is lesser than for the Off case in all phases. There exist Fortran subroutines, available at the three CIEMAT computers, allowing the fast approximative evaluation of all these profiles. (Author) 8 refs.

  16. Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations.

    Science.gov (United States)

    López-Tarifa, P; Liguori, Nicoletta; van den Heuvel, Naudin; Croce, Roberta; Visscher, Lucas

    2017-07-19

    The light harvesting complex II (LHCII), is a pigment-protein complex responsible for most of the light harvesting in plants. LHCII harvests sunlight and transfers excitation energy to the reaction centre of the photo-system, where the water oxidation process takes place. The energetics of LHCII can be modulated by means of conformational changes allowing a switch from a harvesting to a quenched state. In this state, the excitation energy is no longer transferred but converted into thermal energy to prevent photooxidation. Based on molecular dynamics simulations at the microsecond time scale, we have recently proposed that the switch between different fluorescent states can be probed by correlating shifts in the chromophore-chromophore Coulomb interactions to particular protein movements. However, these findings are based upon calculations in the ideal point dipole approximation (IDA) where the Coulomb couplings are simplified as first order dipole-dipole interactions, also assuming that the chromophore transition dipole moments lay in particular directions of space with constant moduli (FIX-IDA). In this work, we challenge this approximation using the time-dependent density functional theory (TDDFT) combined with the frozen density embedding (FDE) approach. Our aim is to establish up to which limit FIX-IDA can be applied and which chromophore types are better described under this approximation. For that purpose, we use the classical trajectories of solubilised light harvesting complex II (LHCII) we have recently reported [Liguori et al., Sci. Rep., 2015, 5, 15661] and selected three pairs of chromophores containing chlorophyll and carotenoids (Chl and Car): Chla611-Chla612, Chlb606-Chlb607 and Chla612-Lut620. Using the FDE in the Tamm-Dancoff approximation (FDEc-TDA), we show that IDA is accurate enough for predicting Chl-Chl Coulomb couplings. However, the FIX-IDA largely overestimates Chl-Car interactions mainly because the transition dipole for the Cars is not

  17. Classification of criticality calculations with correlation coefficient method and its application to OECD/NEA burnup credit benchmarks phase III-A and II-A

    International Nuclear Information System (INIS)

    Okuno, Hiroshi

    2003-01-01

    A method for classifying benchmark results of criticality calculations according to similarity was proposed in this paper. After formulation of the method utilizing correlation coefficients, it was applied to burnup credit criticality benchmarks Phase III-A and II-A, which were conducted by the Expert Group on Burnup Credit Criticality Safety under auspices of the Nuclear Energy Agency of the Organisation for Economic Cooperation and Development (OECD/NEA). Phase III-A benchmark was a series of criticality calculations for irradiated Boiling Water Reactor (BWR) fuel assemblies, whereas Phase II-A benchmark was a suite of criticality calculations for irradiated Pressurized Water Reactor (PWR) fuel pins. These benchmark problems and their results were summarized. The correlation coefficients were calculated and sets of benchmark calculation results were classified according to the criterion that the values of the correlation coefficients were no less than 0.15 for Phase III-A and 0.10 for Phase II-A benchmarks. When a couple of benchmark calculation results belonged to the same group, one calculation result was found predictable from the other. An example was shown for each of the Benchmarks. While the evaluated nuclear data seemed the main factor for the classification, further investigations were required for finding other factors. (author)

  18. Optical photon transport in powdered-phosphor scintillators. Part II. Calculation of single-scattering transport parameters

    Energy Technology Data Exchange (ETDEWEB)

    Poludniowski, Gavin G. [Joint Department of Physics, Division of Radiotherapy and Imaging, Institute of Cancer Research and Royal Marsden NHS Foundation Trust, Downs Road, Sutton, Surrey SM2 5PT, United Kingdom and Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Evans, Philip M. [Centre for Vision Speech and Signal Processing (CVSSP), Faculty of Engineering and Physical Sciences, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom)

    2013-04-15

    Purpose: Monte Carlo methods based on the Boltzmann transport equation (BTE) have previously been used to model light transport in powdered-phosphor scintillator screens. Physically motivated guesses or, alternatively, the complexities of Mie theory have been used by some authors to provide the necessary inputs of transport parameters. The purpose of Part II of this work is to: (i) validate predictions of modulation transform function (MTF) using the BTE and calculated values of transport parameters, against experimental data published for two Gd{sub 2}O{sub 2}S:Tb screens; (ii) investigate the impact of size-distribution and emission spectrum on Mie predictions of transport parameters; (iii) suggest simpler and novel geometrical optics-based models for these parameters and compare to the predictions of Mie theory. A computer code package called phsphr is made available that allows the MTF predictions for the screens modeled to be reproduced and novel screens to be simulated. Methods: The transport parameters of interest are the scattering efficiency (Q{sub sct}), absorption efficiency (Q{sub abs}), and the scatter anisotropy (g). Calculations of these parameters are made using the analytic method of Mie theory, for spherical grains of radii 0.1-5.0 {mu}m. The sensitivity of the transport parameters to emission wavelength is investigated using an emission spectrum representative of that of Gd{sub 2}O{sub 2}S:Tb. The impact of a grain-size distribution in the screen on the parameters is investigated using a Gaussian size-distribution ({sigma}= 1%, 5%, or 10% of mean radius). Two simple and novel alternative models to Mie theory are suggested: a geometrical optics and diffraction model (GODM) and an extension of this (GODM+). Comparisons to measured MTF are made for two commercial screens: Lanex Fast Back and Lanex Fast Front (Eastman Kodak Company, Inc.). Results: The Mie theory predictions of transport parameters were shown to be highly sensitive to both grain size

  19. Explaining trends in alcohol-related harms in Scotland 1991-2011 (II): policy, social norms, the alcohol market, clinical changes and a synthesis.

    Science.gov (United States)

    McCartney, G; Bouttell, J; Craig, N; Craig, P; Graham, L; Lakha, F; Lewsey, J; McAdams, R; MacPherson, M; Minton, J; Parkinson, J; Robinson, M; Shipton, D; Taulbut, M; Walsh, D; Beeston, C

    2016-03-01

    To provide a basis for evaluating post-2007 alcohol policy in Scotland, this paper tests the extent to which pre-2007 policy, the alcohol market, culture or clinical changes might explain differences in the magnitude and trends in alcohol-related mortality outcomes in Scotland compared to England & Wales (E&W). Rapid literature reviews, descriptive analysis of routine data and narrative synthesis. We assessed the impact of pre-2007 Scottish policy and policy in the comparison areas in relation to the literature on effective alcohol policy. Rapid literature reviews were conducted to assess cultural changes and the potential role of substitution effects between alcohol and illicit drugs. The availability of alcohol was assessed by examining the trends in the number of alcohol outlets over time. The impact of clinical changes was assessed in consultation with key informants. The impact of all the identified factors were then summarised and synthesised narratively. The companion paper showed that part of the rise and fall in alcohol-related mortality in Scotland, and part of the differing trend to E&W, were predicted by a model linking income trends and alcohol-related mortality. Lagged effects from historical deindustrialisation and socio-economic changes exposures also remain plausible from the available data. This paper shows that policy differences or changes prior to 2007 are unlikely to have been important in explaining the trends. There is some evidence that aspects of alcohol culture in Scotland may be different (more concentrated and home drinking) but it seems unlikely that this has been an important driver of the trends or the differences with E&W other than through interaction with changing incomes and lagged socio-economic effects. Substitution effects with illicit drugs and clinical changes are unlikely to have substantially changed alcohol-related harms: however, the increase in alcohol availability across the UK is likely to partly explain the rise in

  20. High-sensitivity assay for Hg (II) and Ag (I) ion detection: A new class of droplet digital PCR logic gates for an intelligent DNA calculator.

    Science.gov (United States)

    Cheng, Nan; Zhu, Pengyu; Xu, Yuancong; Huang, Kunlun; Luo, Yunbo; Yang, Zhansen; Xu, Wentao

    2016-10-15

    The first example of droplet digital PCR logic gates ("YES", "OR" and "AND") for Hg (II) and Ag (I) ion detection has been constructed based on two amplification events triggered by a metal-ion-mediated base mispairing (T-Hg(II)-T and C-Ag(I)-C). In this work, Hg(II) and Ag(I) were used as the input, and the "true" hierarchical colors or "false" green were the output. Through accurate molecular recognition and high sensitivity amplification, positive droplets were generated by droplet digital PCR and viewed as the basis of hierarchical digital signals. Based on this principle, YES gate for Hg(II) (or Ag(I)) detection, OR gate for Hg(II) or Ag(I) detection and AND gate for Hg(II) and Ag(I) detection were developed, and their sensitively and selectivity were reported. The results indicate that the ddPCR logic system developed based on the different indicators for Hg(II) and Ag(I) ions provides a useful strategy for developing advanced detection methods, which are promising for multiplex metal ion analysis and intelligent DNA calculator design applications. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Pt(II) and Pd(II) complexes with ibuprofen hydrazide: Characterization, theoretical calculations, antibacterial and antitumor assays and studies of interaction with CT-DNA

    Science.gov (United States)

    Manzano, Carlos M.; Bergamini, Fernando R. G.; Lustri, Wilton R.; Ruiz, Ana Lúcia T. G.; de Oliveira, Ellen C. S.; Ribeiro, Marcos A.; Formiga, André L. B.; Corbi, Pedro P.

    2018-02-01

    Palladium(II) and platinum(II) complexes with a hydrazide derivative of ibuprofen (named HIB) were synthesized and characterized by chemical and spectroscopic methods. Elemental and thermogravimetric analyses, as well as ESI-QTOF-MS studies for both complexes, confirmed a 1:2:2 metal/HIB/Cl- molar ratio. The crystal structure of the palladium(II) complex was solved by single crystal X-ray diffractometric analysis, which permitted identifying the coordination formula [PdCl2(HIB)2]. Crystallographic studies also indicate coordination of HIB to the metal by the NH2 group. Nuclear magnetic resonance and infrared spectroscopies reinforced the coordination observed in the crystal structure and suggested that the platinum(II) complex presents similar coordination modes and structure when compared with the Pd(II) complex. The complexes had their structures optimized with the aid of DFT methods. In vitro antiproliferative assays showed that the [PdCl2(HIB)2] complex is active over ovarian cancer cell line OVCAR-03, while biophysical studies indicated its capacity to interact with CT-DNA. The complexes were inactive over Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa bacterial strains.

  2. Do pre-employment influences explain the association between psychosocial factors at work and coronary heart disease? The Whitehall II study.

    Science.gov (United States)

    Hintsa, Taina; Shipley, Martin J; Gimeno, David; Elovainio, Marko; Chandola, Tarani; Jokela, Markus; Keltikangas-Järvinen, Liisa; Vahtera, Jussi; Marmot, Michael G; Kivimäki, Mika

    2010-05-01

    To examine whether the association between psychosocial factors at work and incident coronary heart disease (CHD) is explained by pre-employment factors, such as family history of CHD, education, paternal education and social class, number of siblings and height. A prospective cohort study of 6435 British men aged 35-55 years at phase 1 (1985-1988) and free from prevalent CHD at phase 2 (1989-1990) was conducted. Psychosocial factors at work were assessed at phases 1 and 2 and mean scores across the two phases were used to determine long-term exposure. Selected pre-employment factors were assessed at phase 1. Follow-up for coronary death, first non-fatal myocardial infarction or definite angina between phase 2 and 1999 was based on clinical records (250 events, follow-up 8.7 years). The selected pre-employment factors were associated with risk for CHD: HRs (95% CI) were 1.33 (1.03 to 1.73) for family history of CHD, 1.18 (1.05 to 1.32) for each quartile decrease in height and 1.16 (0.99 to 1.35) for each category increase in number of siblings. Psychosocial work factors also predicted CHD: 1.72 (1.08 to 2.74) for low job control and 1.72 (1.10 to 2.67) for low organisational justice. Adjustment for pre-employment factors changed these associations by 4.1% or less. In this occupational cohort of British men, the association between psychosocial factors at work and CHD was largely independent of family history of CHD, education, paternal educational attainment and social class, number of siblings and height.

  3. Thermal-hydraulic design calculations for the annular fuel element with replaceable test bundles (TOAST) on the test zone position 205 of KNK II/3

    International Nuclear Information System (INIS)

    Norajitra, P.

    1984-10-01

    Annular fuel elements are foreseen in KNK II as carrier elements for irradiation inserts and test bundles. For the third core a reloadable annular element on position 205 is foreseen, in which replaceable 19-pin test bundles (TOAST) shall be irradiated. The present report deals with the thermal-hydraulic design of the annular carrier element and the test bundle, whereby the test bundle required additional optimization. The code CIA has been used for the calculations. Start of irradiation of the subassembly is planned at the beginning of the third core operation. After optimization of the pin-spacer geometry in the test bundle, design calculations for both bundles were performed, whereby thermal coupling between both was taken into account. The calculated mass-flows and temperature distributions are given for the nominal and the eccentric element configuration. The calculated bundle pressure losses have been corrected according to experimental results [de

  4. Evaluation of ETOG-3Q/ETOG-3, FLANGE-II, XLACS, NJOY and linear/recent/groupie codes for calculations of resonance and reference cross sections

    International Nuclear Information System (INIS)

    Anaf, J.; Chalhoub, E.S.

    1991-01-01

    The NJOY and LINEAR/RECENT/GROUPIE calculational procedures for the resolved and unresolved resonance contributions and background cross sections are evaluated. Elastic scattering, fission and capture multigroup cross sections generated by these codes and the previously validated ETOG-3Q, ETOG-3, FLANGE-II and XLACS are compared. Constant weighting function and zero Kelvin temperature are considered. Discrepancies are presented and analyzed. (author)

  5. OCA-II, a code for calculating the behavior of 2-D and 3-D surface flaws in a pressure vessel subjected to temperature and pressure transients

    International Nuclear Information System (INIS)

    Ball, D.G.; Drake, J.B.; Cheverton, R.D.; Iskander, S.K.

    1984-02-01

    The OCA-II computer code, like its predecessor OCA-I, performs the thermal, stress, and linear elastic fracture-mechanics analysis for long flaws on the surface of a cylinder that is subjected to thermal and pressure transients. OCA-II represents a revised and expanded version of OCA-I and includes as new features (1) cladding as a discrete region, (2) a finite-element subroutine for calculating the stresses, and (3) the ability to calculate stress intensity factors for certain three-dimensional flaws, for two-dimensional circumferential flaws on the inner surface, and for both axial and circumferential flaws on the outer surface. OCA-I considered only inner-surface flaws. An option is included in OCA-II that permits a search for critical values of fluence or nil-ductility reference temperature corresponding to a specified failure criterion. These and other features of OCA-II are described in the report, which also includes user instructions for the code

  6. Modeling of radionuclide transport through rock formations and the resulting radiation exposure of reference persons. Calculations using Asse II parameters; Modellierung des Transports von Radionukliden durch Gesteinsschichten und der resultierenden Strahlenexposition von Referenzpersonen. Berechnungen mit Parametern der Asse II

    Energy Technology Data Exchange (ETDEWEB)

    Kueppers, Christian; Ustohalova, Veronika; Steinhoff, Mathias

    2012-05-21

    The long-term release of radioactivity into the ground water path cannot be excluded for the radioactive waste repository Asse II. The possible radiological consequences were analyzed using a radio-ecological scenario developed by GRS. A second scenario was developed considering the solubility of radionuclides in salt saturated solutions and retarding/retention effects during the radionuclide transport through the cap rock layers. The modeling of possible radiation exposure was based on the lifestyle habits of reference persons. In Germany the calculation procedure for the prediction of radionuclide release from final repositories is not defined by national standards, the used procedures are based on analogue methods from other radiation protection calculations.

  7. Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

    Science.gov (United States)

    Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

    2018-05-01

    This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

  8. Effective representation of amide III, II, I, and A modes on local vibrational modes: Analysis of ab initio quantum calculation results.

    Science.gov (United States)

    Hahn, Seungsoo

    2016-10-28

    The Hamiltonian matrix for the first excited vibrational states of a protein can be effectively represented by local vibrational modes constituting amide III, II, I, and A modes to simulate various vibrational spectra. Methods for obtaining the Hamiltonian matrix from ab initio quantum calculation results are discussed, where the methods consist of three steps: selection of local vibrational mode coordinates, calculation of a reduced Hessian matrix, and extraction of the Hamiltonian matrix from the Hessian matrix. We introduce several methods for each step. The methods were assessed based on the density functional theory calculation results of 24 oligopeptides with four different peptide lengths and six different secondary structures. The completeness of a Hamiltonian matrix represented in the reduced local mode space is improved by adopting a specific atom group for each amide mode and reducing the effect of ignored local modes. The calculation results are also compared to previous models using C=O stretching vibration and transition dipole couplings. We found that local electric transition dipole moments of the amide modes are mainly bound on the local peptide planes. Their direction and magnitude are well conserved except amide A modes, which show large variation. Contrary to amide I modes, the vibrational coupling constants of amide III, II, and A modes obtained by analysis of a dipeptide are not transferable to oligopeptides with the same secondary conformation because coupling constants are affected by the surrounding atomic environment.

  9. COXPRO-II: a computer program for calculating radiation and conduction heat transfer in irradiated fuel assemblies

    International Nuclear Information System (INIS)

    Rhodes, C.A.

    1984-12-01

    This report describes the computer program COXPRO-II, which was written for performing thermal analyses of irradiated fuel assemblies in a gaseous environment with no forced cooling. The heat transfer modes within the fuel pin bundle are radiation exchange among fuel pin surfaces and conduction by the stagnant gas. The array of parallel cylindrical fuel pins may be enclosed by a metal wrapper or shroud. Heat is dissipated from the outer surface of the fuel pin assembly by radiation and convection. Both equilateral triangle and square fuel pin arrays can be analyzed. Steady-state and unsteady-state conditions are included. Temperatures predicted by the COXPRO-II code have been validated by comparing them with experimental measurements. Temperature predictions compare favorably to temperature measurements in pressurized water reactor (PWR) and liquid-metal fast breeder reactor (LMFBR) simulated, electrically heated fuel assemblies. Also, temperature comparisons are made on an actual irradiated Fast-Flux Test Facility (FFTF) LMFBR fuel assembly

  10. Five-membered heterocycles. Part II. Crystal structures and HOMA index calculations for selected 1,3,4-thiadiazole derivatives

    Science.gov (United States)

    Mrozek, A.; Karolak-Wojciechowska, J.; Amiel, P.; Barbe, J.

    2000-06-01

    Crystal structures of four bisubstituted 1,3,4-thiadiazole derivatives were determined. Detailed description of the five-membered heteroring geometry is enabled thorough analysis of ring aromaticity. For this purpose the HOMA index was used as a quantitative measure of aromaticity. The calculated HOMA indices evidenced the role of substituents. In particular, increase in the substituent electrophilicity brings about increase in aromaticity.

  11. The use of approximation formulae in calculations of acid-base equilibria-II: salts of mono- and diprotic acids.

    Science.gov (United States)

    Narasaki, H

    1980-02-01

    The pH of solutions of salts of mono- and diprotic acids is calculated by use of approximation formulae and the theoretically exact equations. The regions for useful application of the approximation formulae (error monoprotic acids, areas are symmetrically equal to those of the acids. For salts of diprotic acids the ranges generally depend on K(2)/K(1).

  12. BEMUSE phase II report - Re-Analysis of the ISP-13 Exercise, Post Test Analysis of the LOFT L2-5 Test Calculation

    International Nuclear Information System (INIS)

    Petruzzi, A.; D'Auria, F.; Crecy, Agnes de; Bazin, P.; Borisov, S.; Skorek, T.; Glaeser, H.; Benoit, J. P.; Chojnacki, E.; Fujioka, K.; Inoue, S.; Chung, B.D.; Trosztel, I.; Toth, I.; Oh, D. Y.; Pernica, R.; Kyncl, M.; Macek, J.; Macian, R.; Tanker, E.; Soyer, A. E.; Ozdere, O.; Perez, M.; Reventos, F.

    2005-11-01

    The BEMUSE (Best Estimate Methods - Uncertainty and Sensitivity Evaluation) Programme is focused on applications of the uncertainty methodologies to Large Break LOCA scenarios. The main goals of the Programme are: - To evaluate the practicability, quality and reliability of best-estimate methods including uncertainty evaluations in applications relevant to nuclear reactor safety; - To develop common understanding; - To promote / facilitate their use by the regulator bodies and the industry. The scope of the Phase II of BEMUSE is to perform Large Break LOCA analysis making reference to the experimental data of LOFT L2-5 in order to address the issue of 'the capabilities of computational tools', including the scaling / uncertainty analysis. The operational objective of the activity is the quality demonstration of the system code calculations in performing LBLOCA analysis through the fulfilment of a comprehensive set of common criteria established in correspondence of different steps of the code assessment process. In particular criteria and threshold values for selected parameters have been adopted for: a) The developing of the nodalization; b) The evaluation of the steady state results; c) The qualitative and quantitative comparison between measured and calculated time trends. Main achievements of the Phase II, to be considered in the following phases of BEMUSE, are summarized as follows: - Almost all performed calculations appear qualified against the fixed criteria; - Dispersion bands of reference results appear substantially less than in ISP-13; - The sensitivity study shall be used as guidance for deriving the uncertainty bands in the following Phase III of the Programme

  13. Synthesis, physicochemical characterization, DFT calculation and biological activities of Fe(III) and Co(II)-omeprazole complexes. Potential application in the Helicobacter pylori eradication

    Science.gov (United States)

    Russo, Marcos G.; Vega Hissi, Esteban G.; Rizzi, Alberto C.; Brondino, Carlos D.; Salinas Ibañez, Ángel G.; Vega, Alba E.; Silva, Humberto J.; Mercader, Roberto; Narda, Griselda E.

    2014-03-01

    The reaction between the antiulcer agent omeprazole (OMZ) with Fe(III) and Co(II) ions was studied, observing a high ability to form metal complexes. The isolated microcrystalline solid complexes were characterized by elemental analysis, X-ray powder diffraction (XRPD), Scanning Electron Microscopy (SEM), magnetic measurements, thermal study, FTIR, UV-Visible, Mössbauer, electronic paramagnetic resonance (EPR), and DFT calculations. The metal-ligand ratio for both complexes was 1:2 determined by elemental and thermal analysis. FTIR spectroscopy showed that OMZ acts as a neutral bidentate ligand through the pyridinic nitrogen of the benzimidazole ring and the oxygen atom of the sulfoxide group, forming a five-membered ring chelate. Electronic, Mössbauer, and EPR spectra together with magnetic measurements indicate a distorted octahedral geometry around the metal ions, where the coordination sphere is completed by two water molecules. SEM and XRPD were used to characterize the morphology and the crystal nature of the complexes. The most favorable conformation for the Fe(III)-OMZ and Co(II)-OMZ complexes was obtained by DFT calculations by using B3LYP/6-31G(d)&LanL2DZ//B3LYP/3-21G(d)&LanL2DZ basis set. Studies of solubility along with the antibacterial activity against Helicobacter pylori for OMZ and its Co(II) and Fe(III) complexes are also reported. Free OMZ and both metal complexes showed antibacterial activity against H. pylori. Co(II)-OMZ presented a minimal inhibitory concentration ˜32 times lower than that of OMZ and ˜65 lower than Fe(III)-OMZ, revealing its promising potential use for the treatment of gastric pathologies associated with the Gram negative bacteria. The morphological changes observed in the cell membrane of the bacteria after the incubation with the metal-complexes were also analyzed by SEM microscopy. The antimicrobial activity of the complexes was proved by the viability test.

  14. Nuclear ground state properties and self-consistent calculations with the Skyrme interaction. II. S-D shell nuclei

    International Nuclear Information System (INIS)

    Flocard, H.

    1975-04-01

    Hartree-Fock results concerning the ground state properties of some S-D shell nuclei are discussed. Two different Skyrme interactions have been used. They both lead to good agreement with the experimental total binding energies, charge radii and multipole moments. In particular the observed prolate-oblate transitions occuring in the S-D shell are reproduced. The calculated spectroscopic factors are also shown to be consistent with experimental data [fr

  15. Towards efficient ab initio calculations of electron scattering by polyatomic molecules: II. Efficient evaluation of exchange integrals

    Czech Academy of Sciences Publication Activity Database

    Čársky, Petr

    2010-01-01

    Roč. 43, č. 17 (2010), s. 175204 ISSN 0953-4075 R&D Projects: GA MŠk OC09079; GA MŠk(CZ) OC10046; GA ČR GA202/08/0631 Institutional research plan: CEZ:AV0Z40400503 Keywords : ab initio calculations * electron scattering * polyatomic molecules Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.902, year: 2010

  16. A massively parallel algorithm for the collision probability calculations in the Apollo-II code using the PVM library

    International Nuclear Information System (INIS)

    Stankovski, Z.

    1995-01-01

    The collision probability method in neutron transport, as applied to 2D geometries, consume a great amount of computer time, for a typical 2D assembly calculation evaluations. Consequently RZ or 3D calculations became prohibitive. In this paper we present a simple but efficient parallel algorithm based on the message passing host/node programing model. Parallelization was applied to the energy group treatment. Such approach permits parallelization of the existing code, requiring only limited modifications. Sequential/parallel computer portability is preserved, witch is a necessary condition for a industrial code. Sequential performances are also preserved. The algorithm is implemented on a CRAY 90 coupled to a 128 processor T3D computer, a 16 processor IBM SP1 and a network of workstations, using the Public Domain PVM library. The tests were executed for a 2D geometry with the standard 99-group library. All results were very satisfactory, the best ones with IBM SP1. Because of heterogeneity of the workstation network, we did ask high performances for this architecture. The same source code was used for all computers. A more impressive advantage of this algorithm will appear in the calculations of the SAPHYR project (with the future fine multigroup library of about 8000 groups) with a massively parallel computer, using several hundreds of processors. (author). 5 refs., 6 figs., 2 tabs

  17. A massively parallel algorithm for the collision probability calculations in the Apollo-II code using the PVM library

    International Nuclear Information System (INIS)

    Stankovski, Z.

    1995-01-01

    The collision probability method in neutron transport, as applied to 2D geometries, consume a great amount of computer time, for a typical 2D assembly calculation about 90% of the computing time is consumed in the collision probability evaluations. Consequently RZ or 3D calculations became prohibitive. In this paper the author presents a simple but efficient parallel algorithm based on the message passing host/node programmation model. Parallelization was applied to the energy group treatment. Such approach permits parallelization of the existing code, requiring only limited modifications. Sequential/parallel computer portability is preserved, which is a necessary condition for a industrial code. Sequential performances are also preserved. The algorithm is implemented on a CRAY 90 coupled to a 128 processor T3D computer, a 16 processor IBM SPI and a network of workstations, using the Public Domain PVM library. The tests were executed for a 2D geometry with the standard 99-group library. All results were very satisfactory, the best ones with IBM SPI. Because of heterogeneity of the workstation network, the author did not ask high performances for this architecture. The same source code was used for all computers. A more impressive advantage of this algorithm will appear in the calculations of the SAPHYR project (with the future fine multigroup library of about 8000 groups) with a massively parallel computer, using several hundreds of processors

  18. Ruthenium(II) bipyridine complexes bearing new keto-enol azoimine ligands: synthesis, structure, electrochemistry and DFT calculations.

    Science.gov (United States)

    Al-Noaimi, Mousa; Awwadi, Firas F; Mansi, Ahmad; Abdel-Rahman, Obadah S; Hammoudeh, Ayman; Warad, Ismail

    2015-01-25

    The novel azoimine ligand, Ph-NH-N=C(COCH3)-NHPh(C≡CH) (H2L), was synthesized and its molecular structure was determined by X-ray crystallography. Catalytic hydration of the terminal acetylene of H2L in the presence of RuCl3·3H2O in ethanol at reflux temperature yielded a ketone (L1=Ph-N=N-C(COCH3)=N-Ph(COCH3) and an enol (L2=Ph-N=N-C(COCH3)=N-PhC(OH)=CH2) by Markovnikov addition of water. Two mixed-ligand ruthenium complexes having general formula, trans-[Ru(bpy)(Y)Cl2] (1-2) (where Y=L1 (1) and Y=L2 (2), bpy is 2.2'-bipyrdine) were achieved by the stepwise addition of equimolar amounts of (H2L) and bpy ligands to RuCl3·3H2O in absolute ethanol. Theses complexes were characterized by elemental analyses and spectroscopic (IR, UV-Vis, and NMR (1D (1)H NMR, (13)C NMR, (DEPT-135), (DEPT-90), 2D (1)H-(1)H and (13)C-(1)H correlation (HMQC) spectroscopy)). The two complexes exhibit a quasi-reversible one electron Ru(II)/Ru(III) oxidation couple at 604 mV vs. ferrocene/ferrocenium (Cp2Fe(0/+)) couple along with one electron ligand reduction at -1010 mV. The crystal structure of complex 1 showed that the bidentate ligand L1 coordinates to Ru(II) by the azo- and imine-nitrogen donor atoms. The complex adopts a distorted trans octahedral coordination geometry of chloride ligands. The electronic spectra of 1 and 1+ in dichloromethane have been modeled by time-dependent density functional theory (TD-DFT). Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.

    Science.gov (United States)

    Seidu, Issaka; Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

    2012-03-08

    The performance of the second-order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) for the calculation of the exchange coupling constant (J) is assessed by application to a series of triply bridged Cu(II) dinuclear complexes. A comparison of the J values based on SF-CV(2)-DFT with those obtained by the broken symmetry (BS) DFT method and experiment is provided. It is demonstrated that our methodology constitutes a viable alternative to the BS-DFT method. The strong dependence of the calculated exchange coupling constants on the applied functionals is demonstrated. Both SF-CV(2)-DFT and BS-DFT affords the best agreement with experiment for hybrid functionals.

  20. ISOLA II - A FORTRAN IV code for the calculation of the long-term α- and β-dose distributions in the vicinity of nuclear installations

    International Nuclear Information System (INIS)

    Huebschmann, W.; Nagel, D.

    1975-12-01

    The computer code ISOLA is used to calculate the annual radiation doses caused by α- and β-active off-gases in the environment of the Karlsruhe Nuclear Research Center. In the revised version ISOLA II the double Gaussian distribution model is strictly observed. As a consequence, the contribution of activity from neighbour sectors is taken into account. Up to 15 emitters may be coped with simultaneously. The emission rates are considered to be constant during the given time interval. Optionally either the isodoses chart of a specified area (for instance a square 20 by 20 km) or a list of doses calculated at up to 2,000 locations (for instance the living areas) in the environment may be set up. Input and output are shown for a specific case. (orig.) [de

  1. Solid hydrogen and deuterium. II. Pressure and compressibility calculated by a lowest-order constrained-variation method

    International Nuclear Information System (INIS)

    Pettersen, G.; Ostgaard, E.

    1988-01-01

    The pressure and the compressibility of solid H 2 and D 2 are obtained from ground-state energies calculated by means of a modified variational lowest order constrained-variation (LOCV) method. Both fcc and hcp structures are considered, but results are given for the fcc structure only. The pressure and the compressibility are calculated or estimated from the dependence of the ground-state energy on density or molar volume, generally in a density region of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 0.65σ -3 to 1.3σ -3 , corresponding to a molar volume of 12-24 cm 3 mole, where σ = 2.958 angstrom, and the calculations are done for five different two-body potentials. Theoretical results for the pressure are 340-460 atm for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 370-490 atm for solid 4 He at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 /mole. The corresponding experimental results are 650 and 700 atm, respectively. Theoretical results for the compressibility are 210 times 10 -6 to 260 times 10 -6 atm -1 for solid H 2 at a particle density of 0.82σ -3 or a molar volume of 19 cm 3 /mole, and 150 times 10 -6 to 180 times 10 -6 atm -1 for solid D 2 at a particle density of 0.92σ -3 or a molar volume of 17 cm 3 mole. The corresponding experimental results are 180 times 10 -6 and 140 times 10 -6 atm -1 , respectively. The agreement with experimental results is better for higher densities

  2. Calculation of interfacial tensions with gradient theory. I. Pure and Pseudo-Pure Fluids. II. Binary Systems

    DEFF Research Database (Denmark)

    Zuo, You-Xiang; Stenby, Erling Halfdan

    1997-01-01

    .26% at low pressure, and that of naphtha reformate cuts was 3.6%. In addition, the gradient theory was used to predict interfacial tensions for binary systems in the near-critical region. The results show excellent agreement between the predicted and experimental IFTs at high and moderate levels, while....... A consistent procedure for the estimation of properties associated to lumped systems. Fluid Phase Equilibria, 87: 89-197] was used to lump a mixture into one pseudocomponent, and its IFTs were calculated by means of the method of pure fluids. On the basis of the SRK EOS, the overall AAD of mixtures was 3...

  3. Using Expectancy Theory to Explain Performance Appraisal ...

    African Journals Online (AJOL)

    pc

    2018-03-05

    Mar 5, 2018 ... appraisal conducting style, the relation between the performance appraisal system and task ... the article first explains the theory model which is based expectancy theory. II. ... which in return lead to rewards. According to [12],.

  4. Explaining Away Intuitions

    Directory of Open Access Journals (Sweden)

    Jonathan Ichikawa

    2009-12-01

    Full Text Available What is it to explain away an intuition? Philosophers regularly attempt to explain intuitions away, but it is often unclear what the success conditions for their project consist in. I attempt to articulate some of these conditions, taking philosophical case studies as guides, and arguing that many attempts to explain away intuitions underestimate the challenge the project of explaining away involves. I will conclude, therefore, that explaining away intuitions is a more difficult task than has sometimes been appreciated; I also suggest, however, that the importance of explaining away intuitions has often been exaggerated.

  5. Quantum chemical calculations and experimental investigations on 2-aminobenzoic acid-cyclodiphosph(V)azane derivative and its homo-binuclear Cu(II) complex

    Science.gov (United States)

    El-Gogary, Tarek M.; Alaghaz, Abdel-Nasser M. A.; Ammar, Reda A. A.

    2012-03-01

    A novel 2-aminobenzoic acid-cyclodiphosph(V)azane ligand H4L and its homo-binuclear Cu(II) complex of the type [Cu2L(H2O)2].2.5 H2O in which L is 1,3-di(-o-pyridyl)-2,4-(dioxo)-2',4'-bis-(2-iminobenzoic acid) cyclodiphosph(V)azane, were synthesized and characterized by different physical techniques. Infrared spectra of the complex indicate deprotonation and coordination of the imine NH and carboxyl COOH groups. It also confirms that nitrogen atom of the pyridine ring contribute to the complexation. Electronic spectra and magnetic susceptibility measurements reveal square-planar geometry for the Cu(II) complex. The elemental analyses and thermogravimetric results have justified the [Cu2L(H2O)2]·2.5H2O composition of the complex. Quantum chemical calculations were utilized to explore the electronic structure and stability of the H4L as well as the binuclear Cu(II) complex. Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of H4L and its binuclear Cu(II) complex. Different tautomers and geometrical isomers of the ligand were optimized at the ab initio DFT level. Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra.

  6. French RSE-M and RCC-MR code appendices for flaw analysis: Presentation of the fracture parameters calculation-Part II: Cracked plates

    International Nuclear Information System (INIS)

    Marie, S.; Chapuliot, S.; Kayser, Y.; Lacire, M.H.; Drubay, B.; Barthelet, B.; Le Delliou, P.; Rougier, V.; Naudin, C.; Gilles, P.; Triay, M.

    2007-01-01

    French nuclear codes include flaw assessment procedures: the RSE-M Code 'Rules for In-service Inspection of Nuclear Power Plant Components' and the RCC-MR code 'Design and Construction rules for mechanical components of FBR nuclear islands and high temperature applications'. An important effort of development of these analytical methods has been made for the last 10 years in the frame of a collaboration between CEA, EDF and AREVA-NP, and in the frame of R and D actions involving CEA and IRSN. These activities have led to a unification of the common methods of the two codes. The calculation of fracture mechanics parameters, and in particular the stress intensity factor K I and the J integral, has been widely developed for industrial configurations. All the developments have been integrated in the 2005 edition of RSE-M and in the 2007 edition of RCC-MR. This series of articles is composed of 5 parts: the first part presents an overview of the methods proposed in the RCC-MR and RSE-M codes. Parts II-IV provide compendia for specific components. The geometries are plates (part II), pipes (part III) and elbows (part IV). Finally, part V presents the validation elements of the methods, with details on the process followed for the development and evaluation of the accuracy of the proposed analytical methods. This second article in the series presents all details for the stress intensity factor and J calculations for cracked plates. General data applicable for all defect geometries are first presented, and then, available defect geometries where compendia for K I and σ ref calculation are provided are given

  7. Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation.

    Science.gov (United States)

    Tao, Guohua; Miller, William H

    2012-09-28

    An efficient time-dependent (TD) Monte Carlo (MC) importance sampling method has recently been developed [G. Tao and W. H. Miller, J. Chem. Phys. 135, 024104 (2011)] for the evaluation of time correlation functions using the semiclassical (SC) initial value representation (IVR) methodology. In this TD-SC-IVR method, the MC sampling uses information from both time-evolved phase points as well as their initial values, and only the "important" trajectories are sampled frequently. Even though the TD-SC-IVR was shown in some benchmark examples to be much more efficient than the traditional time-independent sampling method (which uses only initial conditions), the calculation of the SC prefactor-which is computationally expensive, especially for large systems-is still required for accepted trajectories. In the present work, we present an approximate implementation of the TD-SC-IVR method that is completely prefactor-free; it gives the time correlation function as a classical-like magnitude function multiplied by a phase function. Application of this approach to flux-flux correlation functions (which yield reaction rate constants) for the benchmark H + H(2) system shows very good agreement with exact quantum results. Limitations of the approximate approach are also discussed.

  8. Mode-coupling theory of self-diffusion in diblock copolymers. II. Model calculations and experimental comparisons

    International Nuclear Information System (INIS)

    Guenza, M.; Schweizer, K.S.

    1998-01-01

    The predictions of polymer-mode-coupling theory for self-diffusion in entangled structurally and interaction symmetric diblock copolymer fluids are illustrated by explicit numerical calculations. We find that retardation of translational motion emerges near and somewhat below the order endash disorder transition (ODT) in an approximately exponential and/or thermally activated manner. At fixed reduced temperature, suppression of diffusion is enhanced with increasing diblock molecular weight, compositional symmetry, and/or copolymer concentration. At very low temperatures, a new entropic-like regime of mobility suppression is predicted based on an isotropic supercooled liquid description of the copolymer structure. Preliminary generalization of the theory to treat diblock tracer diffusion is also presented. Quantitative applications to recent self and tracer diffusion measurements on compositionally symmetric polyolefin diblock materials have been carried out, and very good agreement between theory and experiment is found. Asymmetry in block local friction constants is predicted to significantly influence mobility suppression, with the largest effects occurring when the minority block is also the high friction species. New experiments to further test the predictions of the theory are suggested. copyright 1998 American Institute of Physics

  9. Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

    Science.gov (United States)

    Costa, Renyer A.; Oliveira, Kelson M. T.; Costa, Emmanoel Vilaça; Pinheiro, Maria L. B.

    2017-10-01

    A combined experimental and theoretical DFT study of the structural, vibrational and electronic properties of strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline is presented using the Becke three-parameter Lee-Yang-Parr function (B3LYP) and 6-311G(2d,p) basis set. The theoretical geometry optimization data were compared with the X-ray data for a similar structure in the associated literature, showing close values. The calculated HOMO-LUMO gap values showed that the presence of substituents in the benzene ring influences the quantum properties which are directly related to the reactive properties. Theoretical UV spectra agreed well with the measured experimental data, with bands assigned. In addition, Natural Bond Orbitals (NBOs), Mapped molecular electrostatic potential surface (MEPS) and NLO calculations were also performed at the same theory level. The theoretical vibrational analysis revealed several characteristic vibrations that may be used as a diagnostic tool for other strychnobrasiline type alkaloids, simplifying their identification and structural characterization. Molecular docking calculations with DNA Topoisomerase II-DNA complex showed binding free energies values of -8.0 and -9.5 kcal/mol for strychnobrasiline and 12-hydroxy-10,11-dimethoxystrychnobrasiline respectively, while for amsacrine, used for the treatment of leukemia, the binding free energy ΔG presented a value of -10.0 kcal/mol, suggesting that strychnobrasiline derivative alkaloids might exhibit an antineoplastic activity.

  10. ISOLA II: a FORTRAN IV program for the calculation of long-term dose distribution in the vicinity of nuclear installations

    International Nuclear Information System (INIS)

    Huebschmann, W.; Nagel, D.

    The computer code ISOLA serves for the annual calculation of the radiation burden of the environment of the Nuclear Research Center at Karlsruhe resulting from the release of alpha-active and beta-active off-gases. In the improved version ISOLA II the model of a double Gaussian Distribution function is strictly-maintained, so that the influence due to neighboring sectors is included. The emissions are assumed to be constant in time during a given time period. The user may select either the print-out of an isodose map for a desired area (for example a map square 20 km on each edge) or he may obtain a list of doses for up to 2000 filed points (for example in the surrounding communities). The input and output forms will be shown by the use of an example

  11. Plagiarism explainer for students

    OpenAIRE

    Barba, Lorena A.

    2016-01-01

    A slide deck to serve as an explainer of plagiarism in academic settings, with a personal viewpoint. For my students.Also on SpeakerDeck:https://speakerdeck.com/labarba/plagiarism-explainer-for-students(The slide viewer on SpeakerDeck is much nicer.)

  12. Characterization of the Sr(2+)- and Cd(2+)-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations.

    Science.gov (United States)

    Pitari, Fabio; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo

    2015-09-29

    The Mn4CaO5 cluster in the oxygen-evolving complex is the catalytic core of the Photosystem II (PSII) enzyme, responsible for the water splitting reaction in oxygenic photosynthesis. The role of the redox-inactive ion in the cluster has not yet been fully clarified, although several experimental data are available on Ca2+-depleted and Ca2+-substituted PSII complexes, indicating Sr2+-substituted PSII as the only modification that preserves oxygen evolution. In this work, we investigated the structural and electronic properties of the PSII catalytic core with Ca2+ replaced with Sr2+ and Cd2+ in the S2 state of the Kok−Joliot cycle by means of density functional theory and ab initio molecular dynamics based on a quantum mechanics/ molecular mechanics approach. Our calculations do not reveal significant differences between the substituted and wild-type systems in terms of geometries, thermodynamics, and kinetics of two previously identified intermediate states along the S2 to S3 transition, namely, the open cubane S2 A and closed cubane S2 B conformers. Conversely, our calculations show different pKa values for the water molecule bound to the three investigated heterocations. Specifically, for Cd-substituted PSII, the pKa value is 5.3 units smaller than the respective value in wild type Ca-PSII. On the basis of our results, we conclude that, assuming all the cations sharing the same binding site, the induced difference in the acidity of the binding pocket might influence the hydrogen bonding network and the redox levels to prevent the further evolution of the cycle toward the S3 state.

  13. Measurements of downwelling far-infrared radiance during the RHUBC-II campaign at Cerro Toco, Chile and comparisons with line-by-line radiative transfer calculations

    Science.gov (United States)

    Mast, Jeffrey C.; Mlynczak, Martin G.; Cageao, Richard P.; Kratz, David P.; Latvakoski, Harri; Johnson, David G.; Turner, David D.; Mlawer, Eli J.

    2017-09-01

    Downwelling radiances at the Earth's surface measured by the Far-Infrared Spectroscopy of the Troposphere (FIRST) instrument in an environment with integrated precipitable water (IPW) as low as 0.03 cm are compared with calculated spectra in the far-infrared and mid-infrared. FIRST (a Fourier transform spectrometer) was deployed from August through October 2009 at 5.38 km MSL on Cerro Toco, a mountain in the Atacama Desert of Chile. There FIRST took part in the Radiative Heating in Unexplored Bands Campaign Part 2 (RHUBC-II), the goal of which is the assessment of water vapor spectroscopy. Radiosonde water vapor and temperature vertical profiles are input into the Atmospheric and Environmental Research (AER) Line-by-Line Radiative Transfer Model (LBLRTM) to compute modeled radiances. The LBLRTM minus FIRST residual spectrum is calculated to assess agreement. Uncertainties (1-σ) in both the measured and modeled radiances are also determined. Measured and modeled radiances nearly all agree to within combined (total) uncertainties. Features exceeding uncertainties can be corrected into the combined uncertainty by increasing water vapor and model continuum absorption, however this may not be necessary due to 1-σ uncertainties (68% confidence). Furthermore, the uncertainty in the measurement-model residual is very large and no additional information on the adequacy of current water vapor spectral line or continuum absorption parameters may be derived. Similar future experiments in similarly cold and dry environments will require absolute accuracy of 0.1% of a 273 K blackbody in radiance and water vapor accuracy of ∼3% in the profile layers contributing to downwelling radiance at the surface.

  14. Peripheral Codes in ASTRA for the TJ-II

    International Nuclear Information System (INIS)

    Lopez-Bruna, D.; Reynolds, J. M.; Cappa, A.; Martinell, J.; Garcia, J.; Gutierrez-Tapia, C.

    2010-01-01

    The study of data from the TJ-II device is often done with transport calculations based on the ASTRA transport system. However, complicated independent codes are used to obtain fundamental ingredients in these calculations, such as the particle and/or energy sources. These codes are accessible from ASTRA through the procedures explained in this report. (Author) 37 refs.

  15. Peripheral Codes in ASTRA for the TJ-II; Programas Perifericos de ASTRA para el TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Bruna, D.; Reynolds, J. M.; Cappa, A.; Martinell, J.; Garcia, J.; Gutierrez-Tapia, C.

    2010-05-01

    The study of data from the TJ-II device is often done with transport calculations based on the ASTRA transport system. However, complicated independent codes are used to obtain fundamental ingredients in these calculations, such as the particle and/or energy sources. These codes are accessible from ASTRA through the procedures explained in this report. (Author) 37 refs.

  16. Computer jargon explained

    CERN Document Server

    Enticknap, Nicholas

    2014-01-01

    Computer Jargon Explained is a feature in Computer Weekly publications that discusses 68 of the most commonly used technical computing terms. The book explains what the terms mean and why the terms are important to computer professionals. The text also discusses how the terms relate to the trends and developments that are driving the information technology industry. Computer jargon irritates non-computer people and in turn causes problems for computer people. The technology and the industry are changing so rapidly; it is very hard even for professionals to keep updated. Computer people do not

  17. The wireless internet explained

    CERN Document Server

    Rhoton, John

    2001-01-01

    The Wireless Internet Explained covers the full spectrum of wireless technologies from a wide range of vendors, including initiatives by Microsoft and Compaq. The Wireless Internet Explained takes a practical look at wireless technology. Rhoton explains the concepts behind the physics, and provides an overview that clarifies the convoluted set of standards heaped together under the umbrella of wireless. It then expands on these technical foundations to give a panorama of the increasingly crowded landscape of wireless product offerings. When it comes to actual implementation the book gives abundant down-to-earth advice on topics ranging from the selection and deployment of mobile devices to the extremely sensitive subject of security.Written by an expert on Internet messaging, the author of Digital Press''s successful Programmer''s Guide to Internet Mail and X.400 and SMTP: Battle of the E-mail Protocols, The Wireless Internet Explained describes and evaluates the current state of the fast-growing and crucial...

  18. Self-explaining roads

    NARCIS (Netherlands)

    Horst, A.R.A. van der; Kaptein, N.

    1999-01-01

    As a means to a sustainable safe traffic environment the concept of Self-Explaining Roads (SER) has been developed. The SER concept advocates a traffic environment that elicits safe driving behaviour simply by its design. In order to support safe driving behaviour and appropriate speed choice,

  19. Crystal structures and DFT calculations of mixed chloride-azide zinc(II) and chloride-isocyanate cadmium(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard's T reagent

    Science.gov (United States)

    Anđelković, Katarina; Pevec, Andrej; Grubišić, Sonja; Turel, Iztok; Čobeljić, Božidar; Milenković, Milica R.; Keškić, Tanja; Radanović, Dušanka

    2018-06-01

    The mixed chloride-azide [ZnL(N3)1.65Cl0.35] (1) and chloride-isocyanate [CdL(NCO)1.64Cl0.36] (2) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard's T reagent) (HLCl) have been prepared and characterized by X-ray crystallography. In complexes 1 and 2, Zn1 and Cd1 ions, respectively, are five-coordinated in a distorted square based pyramidal geometry with NNO set of donor atoms of deprotonated hydrazone ligand and two monodentate ligands N3- and/or N3- and Cl- in the case of 1 and OCN- and/or OCN- and Cl- in the case of 2. The structural parameters of 1 and 2 have been discussed in relation to those of previously reported M(II) complexes with the same hydrazone ligand. Density functional theory calculations have been employed to study the interaction between the Zn2+ and Cd2+ ions and ligands. High affinity of ligands towards the Zn2+ and Cd2+ ions are predicted for both complexes.

  20. Validation of absolute axial neutron flux distribution calculations with MCNP with 197Au(n,γ)198Au reaction rate distribution measurements at the JSI TRIGA Mark II reactor.

    Science.gov (United States)

    Radulović, Vladimir; Štancar, Žiga; Snoj, Luka; Trkov, Andrej

    2014-02-01

    The calculation of axial neutron flux distributions with the MCNP code at the JSI TRIGA Mark II reactor has been validated with experimental measurements of the (197)Au(n,γ)(198)Au reaction rate. The calculated absolute reaction rate values, scaled according to the reactor power and corrected for the flux redistribution effect, are in good agreement with the experimental results. The effect of different cross-section libraries on the calculations has been investigated and shown to be minor. Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. MAGMADIM: Young Explainers Program

    International Nuclear Information System (INIS)

    Paltiel, Z.

    2005-01-01

    Full Text:Physics teachers and educators constantly face the problem of inspiring their students to major in physics. On the other hand, science museums are designed to provide a pleasant environment which will stimulate and encourage a science associated experience to the general public. Typically, there is no intention to teach science as such in science museums. One may, however, use the science museum to teach and inspire certain groups of students in a much deeper sense. In fact they may actually enthusiastically learn much of the school physics curriculum at the museum. This report discusses the Magmadim program through which 10th graders are trained to be young explainers at the Weizmann Institutes Clore Garden of Science. To this end they study the physics underlying its exhibits in an after-school course. The ultimate goal is for the 'magmadim' to become the best possible explainers and be able to face all sorts of museum visitors. Along with learning how to instruct visitors, they must learn the physics behind the exhibits to give a full explanation of the exhibit and be able to answer any question that may arise. Our 5 year experience with the program shows that its self-selected participants not only study a lot of science, but also like it and learn how to explain the content to other people. This program, along with similar programs at the Bloomfield Science Museum and the Madatzim (young physics tutors) program of Ort, help in promoting the interest in science in general and physics in particular among school students. Various ways to expand the programs will also be discussed

  2. Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, and density functional theory calculations.

    Science.gov (United States)

    Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo

    2013-02-18

    A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.

  3. Linear Algebra Thoroughly Explained

    CERN Document Server

    Vujičić, Milan

    2008-01-01

    Linear Algebra Thoroughly Explained provides a comprehensive introduction to the subject suitable for adoption as a self-contained text for courses at undergraduate and postgraduate level. The clear and comprehensive presentation of the basic theory is illustrated throughout with an abundance of worked examples. The book is written for teachers and students of linear algebra at all levels and across mathematics and the applied sciences, particularly physics and engineering. It will also be an invaluable addition to research libraries as a comprehensive resource book for the subject.

  4. Calculation of site affinity constants and cooperativity coefficients for binding of ligands and/or protons to macromolecules. II. Relationships between chemical model and partition function algorithm.

    Science.gov (United States)

    Fisicaro, E; Braibanti, A; Lamb, J D; Oscarson, J L

    1990-05-01

    The relationships between the chemical properties of a system and the partition function algorithm as applied to the description of multiple equilibria in solution are explained. The partition functions ZM, ZA, and ZH are obtained from powers of the binary generating functions Jj = (1 + kappa j gamma j,i[Y])i tau j, where i tau j = p tau j, q tau j, or r tau j represent the maximum number of sites in sites in class j, for Y = M, A, or H, respectively. Each term of the generating function can be considered an element (ij) of a vector Jj and each power of the cooperativity factor gamma ij,i can be considered an element of a diagonal cooperativity matrix gamma j. The vectors Jj are combined in tensor product matrices L tau = (J1) [J2]...[Jj]..., thus representing different receptor-ligand combinations. The partition functions are obtained by summing elements of the tensor matrices. The relationship of the partition functions with the total chemical amounts TM, TA, and TH has been found. The aim is to describe the total chemical amounts TM, TA, and TH as functions of the site affinity constants kappa j and cooperativity coefficients bj. The total amounts are calculated from the sum of elements of tensor matrices Ll. Each set of indices (pj..., qj..., rj...) represents one element of a tensor matrix L tau and defines each term of the summation. Each term corresponds to the concentration of a chemical microspecies. The distinction between microspecies MpjAqjHrj with ligands bound on specific sites and macrospecies MpAqHR corresponding to a chemical stoichiometric composition is shown. The translation of the properties of chemical model schemes into the algorithms for the generation of partition functions is illustrated with reference to a series of examples of gradually increasing complexity. The equilibria examined concern: (1) a unique class of sites; (2) the protonation of a base with two classes of sites; (3) the simultaneous binding of ligand A and proton H to a

  5. Matlab for engineers explained

    CERN Document Server

    Gustafsson, Fredrik

    2003-01-01

    This book is written for students at bachelor and master programs and has four different purposes, which split the book into four parts: 1. To teach first or early year undergraduate engineering students basic knowledge in technical computations and programming using MATLAB. The first part starts from first principles and is therefore well suited both for readers with prior exposure to MATLAB but lacking a solid foundational knowledge of the capabilities of the system and readers not having any previous experience with MATLAB. The foundational knowledge gained from these interactive guided tours of the system will hopefully be sufficient for an effective utilization of MATLAB in the engineering profession, in education and in research. 2. To explain the foundations of more advanced use of MATLAB using the facilities added the last couple of years, such as extended data structures, object orientation and advanced graphics. 3. To give an introduction to the use of MATLAB in typical undergraduate courses in elec...

  6. Trying to explain Copenhagen

    CERN Document Server

    2003-01-01

    The documentary "The Copenhagen Fallout" recounts the friendship and "falling out" of Niels Bohr and Werner Heisenberg, two of the greatest contemporary physicists - friends whom war turned into enemies. It will be shown at CERN on 1st December. During a lecture in Germany towards the end of 1922, a 20-year-old physicist dared to interrupt Physics Nobel-Prize winner Niels Bohr with the words "There is a mathematical error in what you have said." The young scientist in question was none other than Werner Heisenberg. From this audacious beginning a fruitful collaboration and great friendship grew. But World War II threw up a wall of incomprehension between the two scientists, as one worked for the Nazi regime and the other opened his Copenhagen institute to German Jewish scientists. Then came their famous meeting in September 1941, dramatised by the no less famous play "Copenhagen", currently being performed in association with CERN at th...

  7. Two-dimensional calculation by finite element method of velocity field and temperature field development in fast reactor fuel assembly. II

    International Nuclear Information System (INIS)

    Schmid, J.

    1985-11-01

    A package of updated computer codes for velocity and temperature field calculations for a fast reactor fuel subassembly (or its part) by the finite element method is described. Isoparametric triangular elements of the second degree are used. (author)

  8. The DFT Calculations of Structures and EPR Parameters for the Dinuclear Paddle-Wheel Copper(II) Complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3) as Powder or Single Crystal

    Science.gov (United States)

    Ding, Chang-Chun; Wu, Shao-Yi; Xu, Yong-Qiang; Zhang, Li-Juan; Zhang, Zhi-Hong; Zhu, Qin-Sheng; Wu, Ming-He; Teng, Bao-Hua

    2017-10-01

    Density functional theory (DFT) calculations of the structures and the Cu2+ g factors (gx, gy and gz ) and hyperfine coupling tensor A (Ax , Ay and Az ) were performed for the paddle-wheel (PW)-type binuclear copper(II) complex {Cu2(μ2-O2CCH3)4}(OCNH2CH3) powder and single crystal. Calculations were carried out with the ORCA software using the functionals BHandHlyp, B3P86 and B3LYP with five different basis sets: 6-311g, 6-311g(d,p), VTZ, def-2 and def2-TZVP. Results were tested by the MPAD analysis to find the most suitable functional and basis sets. The electronic structure and covalency between copper and oxygen were investigated by the electron localisation function and the localised orbital locator as well as the Mayer bond order for the [CuO5] group. The optical spectra were theoretically calculated by the time-dependent DFT module and plotted by the Multiwfn program for the [CuO5] group and reasonably associated with the local structure in the vicinity of the central ion copper. In addition, the interactions between the OCNH2CH3, NH3 and H2O molecules and the uncoordinated PW copper(II) complex were studied, and the corresponding adsorption energies, the frequency shifts with respect to the free molecules and the changes of the Cu-Cu distances were calculated and compared with the relevant systems.

  9. A Study on the establishment of environmental friendly taxation system II - concentrated on calculation of environmental friendly subsidy and taxation reform

    Energy Technology Data Exchange (ETDEWEB)

    Noh, Sang Hwan; Lim, Hyun Jung [Korea Environment Institute, Seoul (Korea)

    1998-12-01

    Establishing an environmental friendly taxation system, designing to have a sustainable development and environmental conservation simultaneously, is an important problem to be solved. Following the study on calculation of water and energy subsidy in previous year, the amount of environmental unfriendly subsidy in transportation and agriculture was calculated. Based on the introduction plan of new environmental tax, such as carbon tax and product share, a scheme of environmental friendly taxation reform was proposed. 48 refs., 5 figs., 88 tabs.

  10. Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)

    2017-04-15

    Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.

  11. Magneto-structural correlations in a family of Fe(II)Re(IV)(CN)2 single-chain magnets: density functional theory and ab initio calculations.

    Science.gov (United States)

    Zhang, Yi-Quan; Luo, Cheng-Lin; Wu, Xin-Bao; Wang, Bing-Wu; Gao, Song

    2014-04-07

    Until now, the expressions of the anisotropic energy barriers Δξ and ΔA, using the uniaxial magnetic anisotropy D, the intrachain coupling strength J, and the high-spin ground state S for single-chain magnets (SCMs) in the intermediate region between the Ising and the Heisenberg limits, were unknown. To explore this relationship, we used density functional theory and ab initio methods to obtain expressions of Δξ and ΔA in terms of D, J, and S of six R4Fe(II)-Re(IV)Cl4(CN)2 (R = diethylformamide (1), dibutylformamide (2), dimethylformamide (3), dimethylbutyramide (4), dimethylpropionamide (5), and diethylacetamide (6)) SCMs in the intermediate region. The ΔA value for compounds 1-3 was very similar to the magnetic anisotropic energy of a single Fe(II), while the value of Δξ was predicted using the exchange interaction of Fe(II) with the neighboring Re(IV), which could be expressed as 2JSReSFe. Similar to compounds 1-3, the anisotropy energy barrier ΔA of compounds 4 and 5 was also equal to (Di - Ei)SFe(2), but the correlation energy Δξ was closely equal to 2JSReSFe(cos 98.4 - cos 180) due to the reversal of the spins on the opposite Fe(II). For compound 6, one unit cell of Re(IV)Fe(II) was regarded as a domain wall since it had two different Re(IV)-Fe(II) couplings. Thus, the Δξ of compound 6 was expressed as 4J″SRe1Fe1SRe2Fe2, where J″ was the coupling constant of the neighboring unit cells of Re1Fe1 and Re2Fe2, and ΔA was equal to the anisotropic energy barrier of one domain wall given by DRe1Fe1(S(2)Re1Fe1 - 1/4).

  12. Shielding NSLS-II light source: Importance of geometry for calculating radiation levels from beam losses [Shielding Synchrotron Light Sources: Importance of geometry for calculating radiation levels from beam losses

    International Nuclear Information System (INIS)

    Kramer, S. L.; Ghosh, V. J.; Breitfeller, M.; Wahl, W.

    2016-01-01

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produces significantly higher neutron component dose to the experimental floor than a lower energy beam injection and ramped operations. Minimizing this dose will require adequate knowledge of where the miss-steered beam can occur and sufficient EM shielding close to the loss point, in order to attenuate the energy of the particles in the EM shower below the neutron production threshold (<10 MeV), which will spread the incident energy on the bulk shield walls and thereby the dose penetrating the shield walls. Designing supplemental shielding near the loss point using the analytic shielding model is shown to be inadequate because of its lack of geometry specification for the EM shower process. To predict the dose rates outside the tunnel requires detailed description of the geometry and materials that the beam losses will encounter inside the tunnel. Modern radiation shielding Monte-Carlo codes, like FLUKA, can handle this geometric description of the radiation transport process in sufficient detail, allowing accurate predictions of the dose rates expected and the ability to show weaknesses in the design before a high radiation incident occurs. The effort required to adequately define the accelerator geometry for these codes has been greatly reduced with the implementation of the graphical interface of FLAIR to FLUKA. This made the effective shielding process for NSLS-II quite accurate and reliable. Lastly, the principles used to provide

  13. Do family history of CHD, education, paternal social class, number of siblings and height explain the association between psychosocial factors at work and coronary heart disease? The Whitehall II study

    Science.gov (United States)

    Hintsa, T; Shipley, M; Gimeno, D; Elovainio, M; Chandola, T; Jokela, M; Keltikangas-Järvinen, L; Vahtera, J; Marmot, MG; Kivimäki, M

    2011-01-01

    Objectives To examine whether the association between psychosocial factors at work and incident coronary heart disease (CHD) is explained by pre-employment factors such as family history of CHD, education, paternal social class, number of siblings and height. Methods A prospective cohort study of 6435 of British men aged 35–55 years at phase 1 (1985–1988) and free from prevalent CHD at phase 2 (1989–1990) was conducted. Psychosocial factors at work were assessed at phases 1 and 2 and mean scores across the two phases were used to determine long-term exposure. Selected pre-employment factors were assessed at phase 1. Follow-up for coronary death, first non-fatal myocardial infarction or definite angina between phase 2 and 1999 was based on clinical records (250 events, follow-up 8.7 years). Results Pre-employment factors were associated with risk for CHD: hazard ratio, HRs (95% CI) were 1.33 (1.03 to 1.73) for family history of CHD, 1.18 (1.05–1.32) for each quartile decrease in height, and marginally 1.16 (0.99–1.35) for each category increase in number of siblings. Psychosocial work factors predicted CHD: 1.72 (1.08–2.74) for low job control and 1.72 (1.10–2.67) for low organisational justice. Adjustment for pre-employment factors changed these associations by 4.1% or less. Conclusions In this well-characterised occupational cohort of British men, the association between psychosocial factors at work and CHD was largely independent of family history of CHD, education, paternal education and social class, number of siblings and height. PMID:19819857

  14. Magnesium acceptor in gallium nitride. II. Koopmans-tuned Heyd-Scuseria-Ernzerhof hybrid functional calculations of its dual nature and optical properties

    Science.gov (United States)

    Demchenko, D. O.; Diallo, I. C.; Reshchikov, M. A.

    2018-05-01

    The problem of magnesium acceptor in gallium nitride is that experimental photoluminescence measurements clearly reveal a shallow defect state, while most theoretical predictions favor a localized polaronic defect state. To resolve this contradiction, we calculate properties of magnesium acceptor using the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, tuned to fulfill the generalized Koopmans condition. We test Koopmans tuning of HSE for defect calculations in GaN using two contrasting test cases: a deep state of gallium vacancy and a shallow state of magnesium acceptor. The obtained parametrization of HSE allows calculations of optical properties of acceptors using neutral defect-state eigenvalues, without relying on corrections due to charged defects in periodic supercells. Optical transitions and vibrational properties of M gGa defect are analyzed to bring the dual (shallow and deep) nature of this defect into accord with experimental photoluminescence measurements of the ultraviolet band in Mg-doped GaN samples.

  15. A triple-bridged azido-Cu(II) chain compound fine-tuned by mixed carboxylate/ethanol linkers displays slow-relaxation and ferromagnetic order: synthesis, crystal structure, magnetic properties and DFT calculations.

    Science.gov (United States)

    Liu, Xiangyu; Chen, Sanping; Grancha, Thais; Pardo, Emilio; Ke, Hongshan; Yin, Bing; Wei, Qing; Xie, Gang; Gao, Shengli

    2014-11-07

    A new azido-Cu(II) compound, [Cu(4-fba)(N3)(C2H5OH)] (4-fba = 4-fluorobenzoic acid) (1), has been synthesized and characterized. The X-ray crystal structure analysis demonstrates that only one crystallographically independent Cu(II) ion in the asymmetric unit of 1 exhibits a stretched octahedral geometry in which two azido N atoms and two carboxylic O atoms locate in the equatorial square, while two ethanol O atoms occupy the apical positions, forming a 1D Cu(II) chain with an alternating triple-bridge of EO-azido, syn,syn-carboxylate, and μ2-ethanol. The title compound consists of ferromagnetically interacting ferromagnetic chains, which exhibit ferromagnetic order (T(c) = 7.0 K). The strong ferromagnetic coupling between adjacent Cu(II) ions within each chain is due to the countercomplementarity of the super-exchange pathways, whereas the ferromagnetic interchain interactions--responsible for the long-range magnetic ordering--are most likely due to the presence of coordinated ethanol molecules establishing hydrogen bonds with neighboring chains. DFT calculations have been performed on compound 1 to offer a qualitative theoretical explanation of the magnetic behavior.

  16. Faddeev calculations of the (K)over-bar N N system with a chirally motivated (K)over-bar N interaction. II. The K- pp quasibound state

    Czech Academy of Sciences Publication Activity Database

    Revai, J.; Shevchenko, Nina V.

    2014-01-01

    Roč. 90, č. 3 (2014), 034004 ISSN 0556-2813 R&D Projects: GA ČR(CZ) GAP203/12/2126; GA MŠk LG14038 Institutional support: RVO:61389005 Keywords : Faddeev calculations * scattering Subject RIV: BE - Theoretical Physics Impact factor: 3.733, year: 2014

  17. Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling

    Science.gov (United States)

    Alloui, Mebarka; Belaidi, Salah; Othmani, Hasna; Jaidane, Nejm-Eddine; Hochlaf, Majdi

    2018-03-01

    We performed benchmark studies on the molecular geometry, electron properties and vibrational analysis of imidazole using semi-empirical, density functional theory and post Hartree-Fock methods. These studies validated the use of AM1 for the treatment of larger systems. Then, we treated the structural, physical and chemical relationships for a series of imidazole derivatives acting as angiotensin II AT1 receptor blockers using AM1. QSAR studies were done for these imidazole derivatives using a combination of various physicochemical descriptors. A multiple linear regression procedure was used to design the relationships between molecular descriptor and the activity of imidazole derivatives. Results validate the derived QSAR model.

  18. The zonal tidal effect on the variation in the rotation rate of the Earth with a fluid core II. Numerical calculation and comparisons

    Science.gov (United States)

    Zhang, Han-Wei; Zheng, Yong; Du, Lan; Pan, Guan-Song

    The tidal variation in Earth rotation rate is a periodical response to solar-lunar tide generating potential (TGP). Some theoretical formulae are given here based on Doodson development of TGP including the variations in Earth rotation rate, LOD and UT1. Finally the zonal tidal effect on the variation in the fluid core Earth rotation rate is calculated according to the formula deduced by Xi Qinwen (1995). The calculation shows that the results in this paper are well consistent with the ones in IERS (96), which indicates the correctness of the theoretical formula we deduced. It is also shown that the effects from the high frequency parts are relatively small, within the observing precision so far; relatively large effects due to the lower parts, which should be able to be seperated from the observed data, are actually difficult to make because of the influence from some non-tidal factors as well as short time span data.

  19. The dc electrical conductivity calculation purely from the dissipative component of the ac conductivity II. formula for conductors with static scatterers

    International Nuclear Information System (INIS)

    Milinski, Nikola; Milinski, Eduard

    2001-01-01

    While the first part of this work was devoted to the conceptual and most crucial questions of the dc electrical conductivity σ, the present second part is devoted to the technical questions of the theory, to elaboration of the concept to the particular systems. The conducting system to be investigated has been defined here by five suppositions (postulates), rather general to include the systems of practical interest, like metals in solid and liquid phase are, and the amorphous conductors, like the alloys and conducting glasses are. A formula for dc conductivity calculation has been derived, which gives σ in terms of the matrix elements / k +g/F/Ψ k >/ 2 , where F is scattering force, and Ψ k +g, Ψ k , are the Bloch functions. For the case when Bloch functions are approximated by plane waves, an approximate formula for σ has been obtained in a more tractable form. Specific to our concept is the inclusion of an equation constitutive to σ calculation, which also has been elaborated for the considered system, to the stage suitable for practical application, σ calculation in conjunction with the mentioned constitutive equation is the most important innovative element of our concept, and we expect it will lead to substantial advance in research of this subject. (authors)

  20. Fitting by a pearson II function of the spatial deposited energy distribution in superconducting YBaCuO samples calculated by Monte Carlo simulation

    International Nuclear Information System (INIS)

    Cruz Inclan, Carlos M.; Leyva Fabelo, Antonio; Alfonso Vazquez, Onexis

    2001-01-01

    The spatial deposited energy distribution inside YBa 2 Cu 3 O 7 superconducting ceramics irradiated with gamma rays were simulated using the codes system EGS4, based on the Monte Carlo method. The obtained distributions evidence a notable inhomogeneity, which may be one of the possible sources of inconsistent results of irradiation studies. The profiles of these distributions show asymmetrical behaviors, which may be fitted satisfactorily through a Pearson II Gamma type function. These fittings are presented in the paper and the behavior of the fitting parameters with the energy of incident photons, its number, and the experimental geometry were studied. The physical signification of each fitting parameters is discussed in the text. The exponent is related to certain mass absorption coefficient when the thick of the sample is sufficiently large

  1. Calculation and analysis of a HTR-pebble-bed reference core in the low enriched (U, Pu)- and (U, Th)-cycle with the new modular programme system DRACULA-II

    International Nuclear Information System (INIS)

    Hoffmann, K.

    1975-12-01

    A short description of the programme system is given. Investigations are undertaken on the burn-up and temperature dependence of the resonance adsorption and the flux lowering in a fuel ball as well as the influence of the heterogeneous fuel distribution in a ball-shaped fuel element on the neutron spectrum. The feedback of these effects on the burn-up behaviour is analysed in the subsequent calculations of the above-mentioned reference cores. Beyond this a comparison of the DRAKULA II results with the VSOP calculations for these reference cores is performed and discussed. Especially the new graphical plotting possibility has to be mentioned for the burn-up and load condition of individual fuel element balls during their flow through the core in addition with the netto balance of the isotope vector at their removal from the reactor. (orig.) [de

  2. Explaining Physics – What Skills does a good Explainer Need?

    CERN Multimedia

    CERN. Geneva; Bartels, Hauke

    2018-01-01

    Explaining physics in a way that it is both scientifically correct and comprehensible is a highly demanding practice. But are explanations an effective way to teach physics? Under which circumstances should a physics teacher explain – and is there such a thing as a guideline for effective instructional explanations? Of course, explaining is more than just presenting content knowledge in clear language – but what more? In our talk, we want to discuss empirical studies on instructional explanations from science education and psychology to address these questions. Among other things, we will refer to results from a large study aiming to research whether teacher education contributes to the development of explaining skills. Besides, we will give insights into a project that seeks to measure explaining skills with an interactive online test instrument.

  3. U.S. Department Of Energy's nuclear engineering education research: highlights of recent and current research-II. 1. Comparison of Angular Approximations for PWR Cell Calculations

    International Nuclear Information System (INIS)

    Smith, M.A.; Tsoulfanidis, N.; Lewis, E.E.; Palmiotti, G.

    2001-01-01

    Increasing computer power is allowing higher-order angular approximations to replace diffusion theory methods in whole core reactor physics computations. Spherical harmonic (P n ), simplified spherical harmonic (SP n ), and discrete ordinates (S n ) methods are capable of performing such calculations in three dimensions. Most advantages of such transport methods are gained by eliminating fuel assembly homogenization, thus allowing pin powers to be calculated directly. A further step, currently under investigation, is the elimination of spatial homogenization at the pin cell level as well. The fuel-moderator interfaces may be treated explicitly in P n , S n , or SP n calculations by applying triangular finite elements (FEM) to the spatial variables. Early results using a modified form of the VARIANT code, however, indicate that without pin cell homogenization, high-order angular approximations may be required to represent the lattice effects accurately within the whole-core calculations. To examine these lattice effects further, a modified form of VARIANT was created to use the spatial triangular finite element scheme. The program was set up to treat a single heterogeneous pin cell coupled with P n , SP n , or S n angular approximations. Additional modifications replaced the nodal interface approximations with exact reflected boundary conditions to increase the accuracy of the results. Several pressurized water reactor pin cells, taken from a previous benchmark specification, were examined. However, the results shown here focus only on the most severe case, i.e., a pin cell containing 8.7% mixed-oxide enriched fuel. The DRAGON collision probability code was used to collapse a 69-group cross-section library to a more manageable 7-group library that contained cross sections for the fuel-cladding mixture and for the water. Eigenvalue results are shown in Figs. 1 and 2 using the modified VARIANT code with P n , SP n , and S n angular approximations. A 7-group MCNP Monte

  4. Crystal structures, DFT calculations, and Hirshfeld surface analyses of two new copper(II) and nickel(II) Schiff base complexes derived from meso-1,2-diphenyl-1,2-ethylenediamine

    Science.gov (United States)

    Seifikar Ghomi, Leila; Behzad, Mahdi; Tarahhomi, Atekeh; Arab, Ali

    2017-12-01

    Two new Ni(II) and Cu(II) complexes of a tetradentate Schiff base ligand (1 and 2, respectively), derived from the condensation of meso-1,2-diphenyl-1,2-ethylenediamine with 2-hydroxy-6-methoxy benzaldehyde, were synthesized and characterized by IR, UV-Vis, 1H NMR spectroscopy, and X-Ray crystallography. The central metal ions in both complexes are coordinated via the N2O2 coordination sphere of the ligand with square-planar geometry. DFT results revealed that the Msbnd N and Msbnd O interactions (M = Ni, Cu) are weaker than the typical covalent single bond indicating that ionic and electrostatic interactions are dominated in Msbnd N and Msbnd O bonds. Hirshfeld surface (HS) analyses of the studied structures 1 and 2 have been performed. The study using 3D HSs and 2D fingerprint plots (FPs) highlighted the dominant contacts H⋯H, C⋯H/H⋯C and O⋯H/H⋯O in both structures, and H⋯Cl in 2. The molecular assemblies held by C⋯O/O⋯C (in 1) and C⋯C (in 1 and 2) type dipole-dipole interactions are also found in the crystal packing contributing towards stability. The significant contributions arising from the mentioned interactions in crystal packing are also revealed from the Hirshfeld surface FPs showing a major contribution to total HS area for the H⋯H contacts for both structures.

  5. Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

    Science.gov (United States)

    Seino, Junji; Nakai, Hiromi

    2012-10-14

    The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

  6. A computer program for calculation of parameters necessary for the computation of reliable pair distribution functions of non-crystalline materials from limited diffraction data. II

    International Nuclear Information System (INIS)

    Hansen, F.Y.

    1978-01-01

    The pair distribution function of non-crystalline materials may be obtained by a Fourier transform of the structure factor as calculated in part I of this series. The structure factor is often limited in the sense that it shows significant oscillations at the maximal wave vector transfers obtainable. The Fourier transform of such functions, therefore, introduces truncation errors in the transformed function. With this program a parametrization of the small distance part of the pair distribution function is obtained according to a method described which enables one to eliminate truncation error from the final pair distribution function. It is based on a least squares fit calculation of the small distance part of the pair distribution function obtained by a direct transform of the experimental structure factor and a model pair distribution function obtained from a model structure factor truncated at the same wave vector transfers as the experimental factor. The storage requirement depends on the number of structure factor data and the number of peaks used to resolve the small distance part of the pair distribution function. In the present set-up storage requirement is set to 15083 words, which is estimated to be satisfactory for a large number of cases. (Auth.)

  7. Macrocyclic receptor showing extremely high Sr(II)/Ca(II) and Pb(II)/Ca(II) selectivities with potential application in chelation treatment of metal intoxication.

    Science.gov (United States)

    Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Tóth, Éva; de Blas, Andrés; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa

    2011-04-18

    Herein we report a detailed investigation of the complexation properties of the macrocyclic decadentate receptor N,N'-Bis[(6-carboxy-2-pyridil)methyl]-4,13-diaza-18-crown-6 (H(2)bp18c6) toward different divalent metal ions [Zn(II), Cd(II), Pb(II), Sr(II), and Ca(II)] in aqueous solution. We have found that this ligand is especially suited for the complexation of large metal ions such as Sr(II) and Pb(II), which results in very high Pb(II)/Ca(II) and Pb(II)/Zn(II) selectivities (in fact, higher than those found for ligands widely used for the treatment of lead poisoning such as ethylenediaminetetraacetic acid (edta)), as well as in the highest Sr(II)/Ca(II) selectivity reported so far. These results have been rationalized on the basis of the structure of the complexes. X-ray crystal diffraction, (1)H and (13)C NMR spectroscopy, as well as theoretical calculations at the density functional theory (B3LYP) level have been performed. Our results indicate that for large metal ions such as Pb(II) and Sr(II) the most stable conformation is Δ(δλδ)(δλδ), while for Ca(II) our calculations predict the Δ(λδλ)(λδλ) form being the most stable one. The selectivity that bp18c6(2-) shows for Sr(II) over Ca(II) can be attributed to a better fit between the large Sr(II) ions and the relatively large crown fragment of the ligand. The X-ray crystal structure of the Pb(II) complex shows that the Δ(δλδ)(δλδ) conformation observed in solution is also maintained in the solid state. The Pb(II) ion is endocyclically coordinated, being directly bound to the 10 donor atoms of the ligand. The bond distances to the donor atoms of the pendant arms (2.55-2.60 Å) are substantially shorter than those between the metal ion and the donor atoms of the crown moiety (2.92-3.04 Å). This is a typical situation observed for the so-called hemidirected compounds, in which the Pb(II) lone pair is stereochemically active. The X-ray structures of the Zn(II) and Cd(II) complexes show that

  8. Crystal Structure, Fluorescence Property and Theoretical Calculation of the Zn(II) Complex with o-Aminobenzoic Acid and 1,10-Phenanthroline

    International Nuclear Information System (INIS)

    Zhang, Zhongyu; Bi, Caifeng; Fan, Yuhua; Zhang, Xia; Zhang, Nan; Yan, Xingchen; Zuo, Jian

    2014-01-01

    A novel complex [Zn(phen)(o-AB) 2 ] [phen: 1,10-phenanthroline o-AB: o-aminobenzoic acid] was synthesized and characterized by elemental analysis and X-ray diffraction single-crystal analysis. The crystal crystallizes in monoclinic, space group P2(1)/c with a = 7.6397(6) A, b = 16.8761(18) A, c = 17.7713(19) A, α = 90 .deg., β = 98.9570(10) .deg., γ = 90 .deg., V = 2.2633(4) nm 3 , Z = 4, F(000) = 1064, S = 1.058, Dc = 1.520 g·cm -3 , R 1 = 0.0412, wR 2 = 0.0948, μ = 1.128 mm -1 . The Zn(II) is six coordinated by two nitrogen and four oxygen atoms from the 1,10-phenanthroline and o-aminobenzoic acid to furnish a distorted octahedron geometry. The complex exhibits intense fluorescence at room temperature. Theoretical studies of the title complex were carried out by density functional theory (DFT) B3LYP method. CCDC: 898291

  9. Quantum mechanical calculations of xanthophyll-chlorophyll electronic coupling in the light-harvesting antenna of photosystem II of higher plants.

    Science.gov (United States)

    Duffy, C D P; Valkunas, L; Ruban, A V

    2013-06-27

    Light-harvesting by the xanthophylls in the antenna of photosystem II (PSII) is a very efficient process (with 80% of the absorbed energy being transfer to chlorophyll). However, the efficiencies of the individual xanthophylls vary considerably, with violaxanthin in LHCII contributing very little to light-harvesting. To investigate the origin of the variation we used Time Dependent Density Functional Theory to model the Coulombic interactions between the xanthophyll 1(1)B(u)(+) states and the chlorophyll Soret band states in the LHCII and CP29 antenna complexes. The results show that the central L1 and L2 binding sites in both complexes favored close cofacial associations between the bound xanthophylls and chlorophyll a, implying efficient energy transfer, consistent with previously reported experimental evidence. Additionally, we found that the peripheral V1 binding site in LHCII did not favor close xanthophyll-chlorophyll associations, confirming observations that violaxanthin in LHCII is not an effective light-harvester. Finally, violaxanthin bound into the L2 site of the CP29 complex was found to be very strongly coupled to its neighboring chlorophylls.

  10. Synthesis, structural characterization, thermal analysis, and DFT calculation of a novel zinc (II)-trifluoro-β-diketonate 3D supramolecular nano organic-inorganic compound with 1,3,5-triazine derivative

    Energy Technology Data Exchange (ETDEWEB)

    Mirtamizdoust, Babak, E-mail: babakm.tamizdoust@gmail.com [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Department of Chemistry, Faculty of Science, University of Qom, PO Box 37185-359, Qom, Islamic Republic of Iran (Iran, Islamic Republic of); Ghaedi, Mehrorang [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Hanifehpour, Younes, E-mail: y_hanifehpour@yu.ac.kr [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of); Mague, Joel T. [Department of Chemistry, Tulane University, New Orleans (United States); Joo, Sang Woo, E-mail: swjoo1@gmail.com [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of)

    2016-10-01

    A sonochemical method was used to synthesize a novel nano-structure of a zinc(II) organic-inorganic compound [Zn(dapt){sub 2}(ttfa){sub 2}] (1) [dapt = 2,4-diamino-6-phenyl-1,3,5-triazine and ttfa = 2-thenoyltrifluoroacetonate]. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, elemental analysis, and thermal analysis. The single-crystal X-ray structure shows that 1 is a discrete coordination compound. Strong intra- and intermolecular hydrogen bonds are observed in the structure with the latter forming chains of molecules running parallel to (110). The chains are further extended into a three-dimensional supramolecular structure by intermolecular C−F⋯π interactions between trifluoromethyl and triazine moieties. The coordination number of the zinc(II) ion is six (ZnN{sub 2}O{sub 4}), and the coordination sphere is tetragonally elongated octahedral. The structure of the title complex was optimized by DFT calculations. - Highlights: • A new zinc(II) 3D coordination supramolecular compound was synthesized. • Ultrasound synthesis of nano coordination compound have been reported. • The X-ray crystal structure of the compound is reported.

  11. Method of calculation of new cyclone-type separator with swirling baffle and bottom take off of clean gas - part II: experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Chmielniak, T.; Bryczkowski, A. [Inst. for Chemical Processing of Coal, Zabrze (Poland)

    2001-05-01

    The results of tests and experimental verification of the derived model to predict collection efficiency and pressure drop of the Institute for Chemical Processing of Coal (IChPW) design of a cyclone-type separator with a swirling baffle are presented. The experimental work contains the testing of the effect of gas flow rate and rotational speed of the rotor on separation efficiency and pressure drop. The effect of sealing flow on dedusting efficiency was also tested. The separator with a swirling baffle is characterized by high efficiency and low pressure drop. Higher dedusting efficiency and lower pressure drop can be obtained by extension of the baffle height. The calculational method shows good agreement with the experiments.

  12. The PSIMECX medium-energy neutron activation cross-section library. Part II: Calculational methods for light to medium mass nuclei

    International Nuclear Information System (INIS)

    Atchison, F.

    1998-09-01

    The PSIMECX library contains calculated nuclide production cross-sections from neutron-induced reactions in the energy range about 2 to 800 MeV in the following 72 stable isotopes of 24 elements: 12 C, 13 C, 16 O, 17 O, 18 O, 23 Na, 24 Mg, 25 Mg, 26 Mg, 27 Al, 28 Si, 29 Si, 30 Si, 31 P, 32 S, 33 S, 34 S, 36 S, 35 Cl, 37 Cl, 39 K, 40 K, 41 K, 40 Ca, 42 Ca, 43 Ca, 44 Ca, 46 Ca, 48 Ca, 46 Ti, 47 Ti, 48 Ti, 49 Ti, 50 Ti, 50 V, 51 V, 50 Cr, 52 Cr, 53 Cr, 54 Cr, 55 Mn, 54 Fe, 56 Fe, 57 Fe, 58 Fe, 58 Ni, 60 Ni, 61 Ni, 62 Ni, 64 Ni, 63 Cu, 65 Cu, 64 Zn, 66 Zn, 67 Zn, 68 Zn, 70 Zn, 92 Mo, 94 Mo, 95 Mo, 96 Mo, 97 Mo, 98 Mo, 100 Mo, 121 Sb, 123 Sb, 204 Pb, 206 Pb, 207 Pb, 208 Pb, 232 Th and 238 U. The energy range covers essentially all transmutation channels other than capture. The majority of the selected elements are principal constituents of normal materials of construction used in and around accelerator facilities and the library is, first and foremost, designed to be a tool for the estimation of their activation in wide-band neutron fields. This second report, of a series of three, describes and discusses the calculational methods used for the stable isotopes up to and including 123 Sb. The library itself has been described in the first report of the series and the treatment for the heavy nuclei is given in the third. (author)

  13. Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation.

    Science.gov (United States)

    Ferenczy, György G

    2013-04-05

    The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.

  14. Further development of the structure mechanics analysis method for the calculation of the structure reliability of passive components, phase II. Final report; Weiterentwicklung der strukturmechanischen Analysemethodik zur Bestimmung der Strukturzuverlaessigkeit passiver Komponenten, Phase II. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Grebner, H.; Wang, Y.; Schmipfke, T.; Sievers, J.

    2010-06-15

    Within the framework of research project RS 1163 the computer code PROST for the quantitative assessment of the structural reliability of pipe components has been further developed. Thereby models were provided and tested for the consideration of the damage mechanism 'corrosion' to determine leak and break probabilities in cylindrical structures of ferritic and austenitic reactor steels. These models are now additionally available to the model for the consideration of the damage mechanism 'fatigue'. Furthermore, the application range of the code was extended to complex geometries in regards to loading and boundary conditions. Additional code modules were developed to be able to include the results of finite element (FE) calculations. The extended analysis method was tested, amongst others, in the context of calculations for a cracked feedwater nozzle of a steam generator under thermal-mechanical cyclic loading. The stress on cracks was calculated with the FE-method. For the determination of leak probabilities the crack growth due to fatigue was estimated taking into account the ''mixed-mode'' - loading within the J-integral vector approach. Altogether, the analyses show that with the provided flexible probabilistic analysis method quantitative determination of leak probabilities of a detected or postulated crack in a complex structure geometry under thermal-mechanical loading as function of the operating time in the range of very small probability values (<1.0 E-8) to large values (>1.0 E-2) are possible. The next development steps should comprise especially the improvement of the accuracy of the method to determine break probabilities and also the consideration of approaches on crack formation due to the damage mechanisms 'fatigue' and 'corrosion', based on evaluations of national and international operating experiences.

  15. The PSIMECX medium-energy neutron activation cross-section library. Part II: Calculational methods for light to medium mass nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Atchison, F.

    1998-09-01

    The PSIMECX library contains calculated nuclide production cross-sections from neutron-induced reactions in the energy range about 2 to 800 MeV in the following 72 stable isotopes of 24 elements: {sup 12}C, {sup 13}C, {sup 16}O, {sup 17}O, {sup 18}O, {sup 23}Na, {sup 24}Mg, {sup 25}Mg, {sup 26}Mg, {sup 27}Al, {sup 28}Si, {sup 29}Si, {sup 30}Si, {sup 31}P, {sup 32}S, {sup 33}S, {sup 34}S, {sup 36}S, {sup 35}Cl, {sup 37}Cl, {sup 39}K, {sup 40}K, {sup 41}K, {sup 40}Ca, {sup 42}Ca, {sup 43}Ca, {sup 44}Ca, {sup 46}Ca, {sup 48}Ca, {sup 46}Ti, {sup 47}Ti, {sup 48}Ti, {sup 49}Ti, {sup 50}Ti, {sup 50}V, {sup 51}V, {sup 50}Cr, {sup 52}Cr, {sup 53}Cr, {sup 54}Cr, {sup 55}Mn, {sup 54}Fe, {sup 56}Fe, {sup 57}Fe, {sup 58}Fe, {sup 58}Ni, {sup 60}Ni, {sup 61}Ni, {sup 62}Ni, {sup 64}Ni, {sup 63}Cu, {sup 65}Cu, {sup 64}Zn, {sup 66}Zn, {sup 67}Zn, {sup 68}Zn, {sup 70}Zn, {sup 92}Mo, {sup 94}Mo, {sup 95}Mo, {sup 96}Mo, {sup 97}Mo, {sup 98}Mo, {sup 100}Mo, {sup 121}Sb, {sup 123}Sb, {sup 204}Pb, {sup 206}Pb, {sup 207}Pb, {sup 208}Pb, {sup 232}Th and {sup 238}U. The energy range covers essentially all transmutation channels other than capture. The majority of the selected elements are principal constituents of normal materials of construction used in and around accelerator facilities and the library is, first and foremost, designed to be a tool for the estimation of their activation in wide-band neutron fields. This second report, of a series of three, describes and discusses the calculational methods used for the stable isotopes up to and including {sup 123}Sb. The library itself has been described in the first report of the series and the treatment for the heavy nuclei is given in the third. (author)

  16. Explaining European Emission Allowance Price Dynamics: Evidence from Phase II

    OpenAIRE

    Wilfried Rickels; Dennis Görlich; Gerrit Oberst

    2010-01-01

    In 2005, the European Emission Trading Scheme (EU-ETS) established a new commodity: the right to emit a ton of CO2 (EUA). Since its launch, the corresponding price has shown rather turbulent dynamics, including nervous reactions to policy announcements and a price collapse after a visible over-allocation in Phase I. As a consequence, the question whether fundamental factors (fossil fuel prices, economic activity, weather) affect the EUA price remained partially unresolved. Today, being halfwa...

  17. Photodissociation of water. II. Wave packet calculations for the photofragmentation of H2O and D2O in the B˜ band

    Science.gov (United States)

    van Harrevelt, Rob; van Hemert, Marc C.

    2000-04-01

    A complete three-dimensional quantum mechanical description of the photodissociation of water in the B˜ band, starting from its rotational ground state, is presented. In order to include B˜-X˜ vibronic coupling and the B˜-Ã Renner-Teller coupling, diabatic electronic states have been constructed from adiabatic electronic states and matrix elements of the electronic angular momentum operators, following the procedure developed by A. J. Dobbyn and P. J. Knowles [Mol. Phys. 91, 1107 (1997)], using the ab initio results discussed in the preceding paper. The dynamics is studied using wave packet methods, and the evolution of the time-dependent wave function is discussed in detail. Results for the H2O and D2O absorption spectra, OH(A)/OH(X) and OD(A)/OD(X) branching ratios, and rovibrational distributions of the OH and OD fragments are presented and compared with available experimental data. The present theoretical results agree at least qualitatively with the experiments. The calculations show that the absorption spectrum and the product state distributions are strongly influenced by long-lived resonances on the adiabatic B˜ state. It is also shown that molecular rotation plays an important role in the photofragmentation process, due to both the Renner-Teller B˜-X˜ mixing, and the strong effect of out-of-plane molecular rotations (K>0) on the dynamics at near linear HOH and HHO geometries.

  18. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  19. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... Disorders Video: The Basketball Game: An MRI Story Radiology and You Sponsored by Image/Video Gallery Your Radiologist Explains Nuclear Medicine Transcript Welcome to Radiology Info dot org Hello! I’m Dr. Ramji ...

  20. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... by Image/Video Gallery Your Radiologist Explains Nuclear Medicine Transcript Welcome to Radiology Info dot org Hello! ... d like to talk to you about nuclear medicine. Nuclear medicine offers the potential to identify disease ...

  1. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... An MRI Story Radiology and You Sponsored by Image/Video Gallery Your Radiologist Explains Nuclear Medicine Transcript ... by a special camera and computer to create images of the inside of your body. If you’ ...

  2. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... Sponsored by Image/Video Gallery Your Radiologist Explains Nuclear Medicine Transcript Welcome to Radiology Info dot org ... I’d like to talk to you about nuclear medicine. Nuclear medicine offers the potential to identify ...

  3. Explaining variation in nascent entrepreneurship

    NARCIS (Netherlands)

    A.J. van Stel (André); A.R.M. Wennekers (Sander); P. Reynolds (Paul); A.R. Thurik (Roy)

    2004-01-01

    textabstractThis paper aims at explaining cross-country variation in nascent entrepreneurship. Regression analysis is applied using various explanatory variables derived from three different approaches. We make use of the Global Entrepreneurship Monitor database, including nascent entrepreneurship

  4. Explaining nascent entrepreneurship across countries

    NARCIS (Netherlands)

    A.R. Thurik (Roy); A.J. van Stel (André); A.R.M. Wennekers (Sander); P. Reynolds (Paul)

    2003-01-01

    textabstractThis paper aims at explaining cross-country variation in nascent entrepreneurship. Regression analysis is applied using various explanatory variables derived from three different approaches. We make use of the Global Entrepreneurship Monitor database, including nascent entrepreneurship

  5. Calculating Student Grades.

    Science.gov (United States)

    Allswang, John M.

    1986-01-01

    This article provides two short microcomputer gradebook programs. The programs, written in BASIC for the IBM-PC and Apple II, provide statistical information about class performance and calculate grades either on a normal distribution or based on teacher-defined break points. (JDH)

  6. Core calculations of JMTR

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

    1998-03-01

    In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)

  7. Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis-(2-hy-droxy-eth-yl)glycine anion.

    Science.gov (United States)

    Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling

    2016-10-01

    The reaction of CoCl 2 ·6H 2 O, N , N -bis-(2-hy-droxy-eth-yl)glycine and tri-ethyl-amine (Et 3 N) in ethanol solution under solvothermal conditions produced crystals of [ N , N -bis-(2-hy-droxy-eth-yl)glycinato]chloridocobalt(II), [Co(C 6 H 12 NO 4 )Cl]. The Co II ion is coordinated in a slightly distorted trigonal-bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O-H⋯O hydrogen bonds connect the mol-ecules, forming a two-dimensional network parallel to (001). The mol-ecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI-MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized.

  8. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... Recently posted: The Limitations of Online Dose Calculators Video: The Basketball Game: An MRI Story Radiology and You Sponsored by ... Recently posted: The Limitations of Online Dose Calculators Video: The Basketball Game: An MRI Story Radiology and You Sponsored by ...

  9. Laser-probing measurements and calculations of lifetimes of the 5d 2D3 at ∼sol∼ at 2 and 5d 2D5 at ∼sol∼ at 2 metastable levels in Ba II

    International Nuclear Information System (INIS)

    Gurell, J.; Lundin, P.; Mannervik, S.; Royen, P.; Schef, P.; Biemont, E.; Quinet, P.; Blagoev, K.; Fivet, V.; Norlin, L.-O.; Rostohar, D.

    2007-01-01

    The two metastable levels 5d 2 D 3 at ∼sol∼ at 2 and 5d 2 D 5 at ∼sol∼ at 2 in Ba II both show extremely long lifetimes of the order of several tens of seconds each. This has been found both by experiments and by theoretical predictions. The small transition probabilities associated with these two levels make them interesting and challenging for theoreticians as well as for experimentalists. Several calculations and measurements of these two lifetimes have been made previously but discrepancies between the results are present. This article presents values of τ=89.4±15.6 s for the 2 D 3 at ∼sol∼ at 2 level and τ=32.0±4.6 s for the 2 D 5 at ∼sol∼ at 2 level measured in a beam-laser experiment performed at the ion storage ring CRYRING. These values are supported by our new calculations resulting in τ=82.0 s for the 2 D 3 at ∼sol∼ at 2 level and τ=31.6 s for the 2 D 5 at ∼sol∼ at 2 level

  10. Journalism and Explaining News Content

    NARCIS (Netherlands)

    Albæk, E.; Skovsgaard, M.; de Vreese, C.H.; Nussbaum, J.F.

    Three models are presented to explain variation in news content. In the first model the explanation is based on the individual journalist, in the second model on the professional journalist, and in the third model on the organized journalist. The individual journalist model focuses on how the

  11. Can Marxism Explain America's Racism?

    Science.gov (United States)

    Willhelm, Sidney M.

    1980-01-01

    The Marxist interpretation of the Black experience in America has always had difficulty explaining various noneconomic aspects of racism. A perspective is needed that can blend racism as a variable in relationship with economic variables. To reach this perspective, the labor process within capitalism must be more fully understood. (Author/GC)

  12. Does market competition explain fairness?

    Science.gov (United States)

    Descioli, Peter

    2013-02-01

    The target article by Baumard et al. uses their previous model of bargaining with outside options to explain fairness and other features of human sociality. This theory implies that fairness judgments are determined by supply and demand but humans often perceive prices (divisions of surplus) in competitive markets to be unfair.

  13. Calculator Cryptography.

    Science.gov (United States)

    Hall, Matthew

    2003-01-01

    Uses cryptography to demonstrate the importance of algebra and the use of technology as an effective real application of mathematics. Explains simple encoding and decoding of messages for student learning of modular arithmetic. This elementary encounter with cryptography along with its historical and modern background serves to motivate student…

  14. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... Site Index A-Z Spotlight Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ... Dr. Ramji Rajendran, a radiation oncologist at the Cancer Institute at Alexian Brothers Medical Center in Elk ...

  15. Your Radiologist Explains Nuclear Medicine

    Medline Plus

    Full Text Available ... June is Men's Health Month Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ... Dr. Ramji Rajendran, a radiation oncologist at the Cancer Institute at Alexian Brothers Medical Center in Elk ...

  16. Do sector-specific shocks explain aggregate fluctuations?

    DEFF Research Database (Denmark)

    Busato, Francesco; Girardi, Alessandro; Argentiero, Amedeo

    -sector productivity fluctuations.(ii) Cross-sector technology shocks have very little explanatory power on productivity andemployment, while cross-sector non-technology shocks explain more than 60 percent of employmentthat is reallocated across sector; this suggests that the shocks’ transmission mechanism....... Thenon-durable sector may follow a standard RBC model, while the durable sector should incorporateconsumption habit formation....

  17. Explaining Disparities in Unemployment Dynamics

    OpenAIRE

    Karanassou, Marika; Snower, Dennis J.

    1993-01-01

    This paper attempts to explain disparities among the unemployment experiences of different OECD countries in terms of the `fragility' of the short-run unemployment equilibrium (the impact of labour market shocks on the short-run unemployment rate) and the lag structure of the employment determination, wage setting, and labour force participation decisions. The effects of this lag structure on unemployment dynamics are captured through two general measures of `unemployment persistence' (occurr...

  18. Explaining the Gender Wealth Gap

    Science.gov (United States)

    Ruel, Erin; Hauser, Robert M.

    2013-01-01

    To assess and explain the United States’ gender wealth gap, we use the Wisconsin Longitudinal Study to examine wealth accumulated by a single cohort over 50 years by gender, by marital status, and limited to the respondents who are their family’s best financial reporters. We find large gender wealth gaps between currently married men and women, and never-married men and women. The never-married accumulate less wealth than the currently married, and there is a marital disruption cost to wealth accumulation. The status-attainment model shows the most power in explaining gender wealth gaps between these groups explaining about one-third to one-half of the gap, followed by the human-capital explanation. In other words, a lifetime of lower earnings for women translates into greatly reduced wealth accumulation. A gender wealth gap remains between married men and women after controlling for the full model that we speculate may be related to gender differences in investment strategies and selection effects. PMID:23264038

  19. CONTAIN calculations

    International Nuclear Information System (INIS)

    Scholtyssek, W.

    1995-01-01

    In the first phase of a benchmark comparison, the CONTAIN code was used to calculate an assumed EPR accident 'medium-sized leak in the cold leg', especially for the first two days after initiation of the accident. The results for global characteristics compare well with those of FIPLOC, MELCOR and WAVCO calculations, if the same materials data are used as input. However, significant differences show up for local quantities such as flows through leakages. (orig.)

  20. cobalt (ii), nickel (ii)

    African Journals Online (AJOL)

    DR. AMINU

    Department of Chemistry Bayero University, P. M. B. 3011, Kano, Nigeria. E-mail: hnuhu2000@yahoo.com. ABSTRACT. The manganese (II), cobalt (II), nickel (II) and .... water and common organic solvents, but are readily soluble in acetone. The molar conductance measurement [Table 3] of the complex compounds in.

  1. Technical manual for calculating cooling pond performance

    International Nuclear Information System (INIS)

    Krstulovich, S.F.

    1988-01-01

    This manual is produced in response to a growing number of requests for a technical aid to explain methods for simulating cooling pond performance. As such, it is a compilation of reports, charts and graphs developed through the years for use in analyzing situations. Section II contains a report summarizing the factors affecting cooling pond performance and lists statistical parameters used in developing performance simulations. Section III contains the graphs of simulated cooling pond performance on an hourly basis for various combinations of criteria (wind, solar, depth, air temperature and humidity) developed from the report in Section II. Section IV contains correspondence describing how to develop further data from the graphs in Section III, as well as mathematical models for the system of performance calculation. Section V contains the formulas used to simulate cooling pond performances in a cascade arrangement, such as the Fermilab Main Ring ponds. Section VI contains the calculations currently in use to evaluate the Main Ring pond performance based on current flows and Watts loadings. Section VII contains the overall site drawing of the Main Ring cooling ponds with thermal analysis and physical data

  2. Explaining the Evolution of Poverty

    DEFF Research Database (Denmark)

    Arndt, Channing; Hussain, Azhar; Jones, Edward Samuel

    2012-01-01

    We provide a comprehensive approach for analyzing the evolution of poverty using Mozambique as a case study. Bringing together data from disparate sources, we develop a novel “back-casting” framework that links a dynamic computable general equilibrium model to a micro-simulation poverty module....... This framework provides a new approach to explaining and decomposing the evolution of poverty, as well as to examining rigorously the coherence between poverty, economic growth, and inequality outcomes. Finally, various simple but useful and rarely-applied approaches to considering regional changes in poverty...

  3. Explaining the harmonic sequence paradox.

    Science.gov (United States)

    Schmidt, Ulrich; Zimper, Alexander

    2012-05-01

    According to the harmonic sequence paradox, an expected utility decision maker's willingness to pay for a gamble whose expected payoffs evolve according to the harmonic series is finite if and only if his marginal utility of additional income becomes zero for rather low payoff levels. Since the assumption of zero marginal utility is implausible for finite payoff levels, expected utility theory - as well as its standard generalizations such as cumulative prospect theory - are apparently unable to explain a finite willingness to pay. This paper presents first an experimental study of the harmonic sequence paradox. Additionally, it demonstrates that the theoretical argument of the harmonic sequence paradox only applies to time-patient decision makers, whereas the paradox is easily avoided if time-impatience is introduced. ©2011 The British Psychological Society.

  4. Determination of plateau slope and activity using filter measurement results and W. Chauvenet's criterion (Mage II and Fortran IV calculation programmes); Determination de pente de palier et d'activite a partir de resultats de mesure filtres selon le critere de W. Chauvenet (programmes de calcul en Mage II et Fortran IV)

    Energy Technology Data Exchange (ETDEWEB)

    Becker, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires, Departement d' Electronique Generale, Laboratoire de Metrologie de la Radioactivite

    1967-10-01

    In order to permit (at least partially) the objective comparison of plateau characteristics of gas-ionisation counters, plateaus which are obtained when each radioactive sample from normal LMR production is measured, a programme has been drawn up (on an electronic computer) comprising a processing section using least squares for obtaining the corrected plateaux and energies. With a view to an automatic operation of radio-measurement chains, the programme also comprises a preliminary section in which the statistical considerations of B. Peirce have been applied in the version better known as Chauvenet's criterion; this has been done with a view to eliminate measurement results which are dubious and even totally wrong. (author) [French] Pour rendre possibles (au moins partiellement) des comparaisons objectives entre paliers de caracteristiques de compteurs a ionisation gazeuse, paliers traces lors de la mesure de chaque etalon radioactif de la production courante du L.M.R., il a ete ecrit un programme (sur machine a calculer electronique) comportant une partie de traitement par les moindres carres en vue de la determination de pentes et d'activites corrigees. En prevision d'une exploitation automatique de cha es de radio-mesure, le programme comporte en outre une partie preliminaire dans laquelle des considerations statistiques dues a B. Peirce ont ete appliquees dans leur version plus connue sous le nom de critere de Chauvenet et ce dans le but d'une elimination des resultats de mesure suspects et meme veritablement aberrants. (auteur)

  5. Burnout calculation

    International Nuclear Information System (INIS)

    Li, D.

    1980-01-01

    Reviewed is the effect of heat flux of different system parameters on critical density in order to give an initial view on the value of several parameters. A thorough analysis of different equations is carried out to calculate burnout is steam-water flows in uniformly heated tubes, annular, and rectangular channels and rod bundles. Effect of heat flux density distribution and flux twisting on burnout and storage determination according to burnout are commended [ru

  6. Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II.

    Science.gov (United States)

    Isobe, H; Shoji, M; Yamanaka, S; Mino, H; Umena, Y; Kawakami, K; Kamiya, N; Shen, J-R; Yamaguchi, K

    2014-06-28

    Full geometry optimizations followed by the vibrational analysis were performed for eight spin configurations of the CaMn4O4X(H2O)3Y (X = O, OH; Y = H2O, OH) cluster in the S1 and S3 states of the oxygen evolution complex (OEC) of photosystem II (PSII). The energy gaps among these configurations obtained by vertical, adiabatic and adiabatic plus zero-point-energy (ZPE) correction procedures have been used for computation of the effective exchange integrals (J) in the spin Hamiltonian model. The J values are calculated by the (1) analytical method and the (2) generalized approximate spin projection (AP) method that eliminates the spin contamination errors of UB3LYP solutions. Using J values derived from these methods, exact diagonalization of the spin Hamiltonian matrix was carried out, yielding excitation energies and spin densities of the ground and lower-excited states of the cluster. The obtained results for the right (R)- and left (L)-opened structures in the S1 and S3 states are found to be consistent with available optical and magnetic experimental results. Implications of the computational results are discussed in relation to (a) the necessity of the exact diagonalization for computations of reliable energy levels, (b) magneto-structural correlations in the CaMn4O5 cluster of the OEC of PSII, (c) structural symmetry breaking in the S1 and S3 states, and (d) the right- and left-handed scenarios for the O-O bond formation for water oxidation.

  7. Reliability calculations

    International Nuclear Information System (INIS)

    Petersen, K.E.

    1986-03-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)

  8. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  9. Study of the structure and chemical bonding of crystalline Ge_4Sb_2Te_7 using first principle calculations

    International Nuclear Information System (INIS)

    Singh, Janpreet; Singh, Satvinder; Tripathi, S. K.; Singh, Gurinder; Kaura, Aman

    2016-01-01

    The atomic arrangements and chemical bonding of stable Ge_4Sb_2Te_7 (GeTe rich), a phase-change material, have been investigated by means of ab initio total energy calculations. To study the atomic arrangement, GeTe block is considered into -TeSbTeSbTe- block and -Te-Te- layer in the stacking I and II respectively. The stacking I is energetically more stable than the stacking II. The reason for more stability of the stacking I has been explained. The chemical bonding has been studied with the electronic charge density distribution around the atomic bonds. The quantity of electronic charge loosed or gained by atoms has been calculated using the Bader charge analysis. The metallic character has been studied using band structures calculations. The band gap for the stacking I and II is 0.463 and 0.219 eV respectively.

  10. Reliability Calculations

    DEFF Research Database (Denmark)

    Petersen, Kurt Erling

    1986-01-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety...... and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic...... approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very...

  11. Criticality calculations for safety analysis

    International Nuclear Information System (INIS)

    Vellozo, S.O.

    1981-01-01

    Criticality studies in uranium nitrate and plutonium nitrate aqueous solutions were done. For uranium compound three basic computer codes are used: GAMTEC-II, DTF-IV, KENO-IV. Water was used as refletor and the results obtained with the different computer codes were analyzed and compared with the 'Handbuck zur Kriticalitat'. The cross sections and the cylindrical geometry were generated by Gamtec-II computer code. In the second compound the thickness of the recipient with plutonium nitrate are used with rectangular geometry and concret reflector. The effective multiplication constant was calculated with the Gamtec-II and Keno-IV library. The results show many differences. (E.G) [pt

  12. Benchmark neutron porosity log calculations

    International Nuclear Information System (INIS)

    Little, R.C.; Michael, M.; Verghese, K.; Gardner, R.P.

    1989-01-01

    Calculations have been made for a benchmark neutron porosity log problem with the general purpose Monte Carlo code MCNP and the specific purpose Monte Carlo code McDNL. For accuracy and timing comparison purposes the CRAY XMP and MicroVax II computers have been used with these codes. The CRAY has been used for an analog version of the MCNP code while the MicroVax II has been used for the optimized variance reduction versions of both codes. Results indicate that the two codes give the same results within calculated standard deviations. Comparisons are given and discussed for accuracy (precision) and computation times for the two codes

  13. Diet History Questionnaire II FAQs | EGRP/DCCPS/NCI/NIH

    Science.gov (United States)

    Answers to general questions about the Diet History Questionnaire II (DHQ II), as well as those related to DHQ II administration, validation, scanning, nutrient estimates, calculations, DHQ II modification, data quality, and more.

  14. Explaining social class differences in depression and well-being.

    Science.gov (United States)

    Stansfeld, S A; Head, J; Marmot, M G

    1998-01-01

    Work characteristics, including skill discretion and decision authority, explain most of the socioeconomic status gradient in well-being and depression in middle-aged British civil servants from the Whitehall II Study, London. Social support explained about one-third of the gradient, life events and material difficulties less than one-third. Socioeconomic status was measured by employment grade. Work characteristics were based on the Karasek model, social support was measured by the Close Persons Questionnaire, depression by the General Health Questionnaire and well-being by the Affect Balance Scale. Despite a small contribution from social selective factors measured by upward mobility, the psychosocial work environment explained most of the cross-sectional socioeconomic status gradient in well-being and depression.

  15. Asymmetries of the solar Ca II lines

    International Nuclear Information System (INIS)

    Heasley, J.N.

    1975-01-01

    A theoretical study of the influence of propagating acoustic pulses in the solar chromosphere upon the line profiles of the Ca II resonance and infrared triplet lines has been made. The major objective has been to explain the observed asymmetries seen in the cores of the H and K lines and to predict the temporal behavior of the infrared lines caused by passing acoustic or shock pulses. The velocities in the pulses, calculated from weak shock theory, have been included consistently in the non-LTE calculations. The results of the calculations show that these lines are very sensitive to perturbations in the background atmosphere caused by the pulses. Only minor changes in the line shapes result from including the velocities consistently in the line source function calculations. The qualitative changes in the line profiles vary markedly with the strength of the shock pulses. The observed differences in the K line profiles seen on the quiet Sun can be explained in terms of a spectrum of pulses with different wavelengths and initial amplitudes in the photosphere. (Auth.)

  16. Explaining clinical behaviors using multiple theoretical models

    Directory of Open Access Journals (Sweden)

    Eccles Martin P

    2012-10-01

    Full Text Available Abstract Background In the field of implementation research, there is an increased interest in use of theory when designing implementation research studies involving behavior change. In 2003, we initiated a series of five studies to establish a scientific rationale for interventions to translate research findings into clinical practice by exploring the performance of a number of different, commonly used, overlapping behavioral theories and models. We reflect on the strengths and weaknesses of the methods, the performance of the theories, and consider where these methods sit alongside the range of methods for studying healthcare professional behavior change. Methods These were five studies of the theory-based cognitions and clinical behaviors (taking dental radiographs, performing dental restorations, placing fissure sealants, managing upper respiratory tract infections without prescribing antibiotics, managing low back pain without ordering lumbar spine x-rays of random samples of primary care dentists and physicians. Measures were derived for the explanatory theoretical constructs in the Theory of Planned Behavior (TPB, Social Cognitive Theory (SCT, and Illness Representations specified by the Common Sense Self Regulation Model (CSSRM. We constructed self-report measures of two constructs from Learning Theory (LT, a measure of Implementation Intentions (II, and the Precaution Adoption Process. We collected data on theory-based cognitions (explanatory measures and two interim outcome measures (stated behavioral intention and simulated behavior by postal questionnaire survey during the 12-month period to which objective measures of behavior (collected from routine administrative sources were related. Planned analyses explored the predictive value of theories in explaining variance in intention, behavioral simulation and behavior. Results Response rates across the five surveys ranged from 21% to 48%; we achieved the target sample size for three of

  17. Explaining clinical behaviors using multiple theoretical models.

    Science.gov (United States)

    Eccles, Martin P; Grimshaw, Jeremy M; MacLennan, Graeme; Bonetti, Debbie; Glidewell, Liz; Pitts, Nigel B; Steen, Nick; Thomas, Ruth; Walker, Anne; Johnston, Marie

    2012-10-17

    In the field of implementation research, there is an increased interest in use of theory when designing implementation research studies involving behavior change. In 2003, we initiated a series of five studies to establish a scientific rationale for interventions to translate research findings into clinical practice by exploring the performance of a number of different, commonly used, overlapping behavioral theories and models. We reflect on the strengths and weaknesses of the methods, the performance of the theories, and consider where these methods sit alongside the range of methods for studying healthcare professional behavior change. These were five studies of the theory-based cognitions and clinical behaviors (taking dental radiographs, performing dental restorations, placing fissure sealants, managing upper respiratory tract infections without prescribing antibiotics, managing low back pain without ordering lumbar spine x-rays) of random samples of primary care dentists and physicians. Measures were derived for the explanatory theoretical constructs in the Theory of Planned Behavior (TPB), Social Cognitive Theory (SCT), and Illness Representations specified by the Common Sense Self Regulation Model (CSSRM). We constructed self-report measures of two constructs from Learning Theory (LT), a measure of Implementation Intentions (II), and the Precaution Adoption Process. We collected data on theory-based cognitions (explanatory measures) and two interim outcome measures (stated behavioral intention and simulated behavior) by postal questionnaire survey during the 12-month period to which objective measures of behavior (collected from routine administrative sources) were related. Planned analyses explored the predictive value of theories in explaining variance in intention, behavioral simulation and behavior. Response rates across the five surveys ranged from 21% to 48%; we achieved the target sample size for three of the five surveys. For the predictor variables

  18. Alaska Village Electric Load Calculator

    Energy Technology Data Exchange (ETDEWEB)

    Devine, M.; Baring-Gould, E. I.

    2004-10-01

    As part of designing a village electric power system, the present and future electric loads must be defined, including both seasonal and daily usage patterns. However, in many cases, detailed electric load information is not readily available. NREL developed the Alaska Village Electric Load Calculator to help estimate the electricity requirements in a village given basic information about the types of facilities located within the community. The purpose of this report is to explain how the load calculator was developed and to provide instructions on its use so that organizations can then use this model to calculate expected electrical energy usage.

  19. Mice take calculated risks.

    Science.gov (United States)

    Kheifets, Aaron; Gallistel, C R

    2012-05-29

    Animals successfully navigate the world despite having only incomplete information about behaviorally important contingencies. It is an open question to what degree this behavior is driven by estimates of stochastic parameters (brain-constructed models of the experienced world) and to what degree it is directed by reinforcement-driven processes that optimize behavior in the limit without estimating stochastic parameters (model-free adaptation processes, such as associative learning). We find that mice adjust their behavior in response to a change in probability more quickly and abruptly than can be explained by differential reinforcement. Our results imply that mice represent probabilities and perform calculations over them to optimize their behavior, even when the optimization produces negligible material gain.

  20. Copper (II)

    African Journals Online (AJOL)

    CLEMENT O BEWAJI

    Valine (2 - amino - 3 – methylbutanoic acid), is a chemical compound containing .... Stability constant (Kf). Gibb's free energy. ) (. 1. −. ∆. Mol. JG. [CuL2(H2O)2] ... synthesis and characterization of Co(ii), Ni(ii), Cu (II), and Zn(ii) complexes with ...

  1. I. The indicatrix of composite crystals. II. Calculation of the indicatrix of silicate minerals with the classical point-dipole model. III. The structure of two sodium-uranyl fluorides

    International Nuclear Information System (INIS)

    Hauser, J.R.

    1977-04-01

    The results of three distinct studies are discussed. The first two chapters describe calculations of the geometric optical properties of crystals; the third chapter is concerned with the crystal structure analysis of two new double salts

  2. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... Site Index A-Z Spotlight Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ... and for your attention! Spotlight Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ...

  3. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... June is Men's Health Month Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ... June is Men's Health Month Recently posted: Pancreatic Cancer The Limitations of Online Dose Calculators Video: The ...

  4. Radiation protection calculations for diagnostic medical equipment

    International Nuclear Information System (INIS)

    Klueter, R.

    1992-01-01

    The standards DIN 6812 and DIN 6844 define the radiation protection requirements to be met by biomedical radiography equipment or systems for nuclear medicine. The paper explains the use of a specific computer program for radiation protection calculations. The program offers menu-controlled calculation, with free choice of the relevant nuclides. (DG) [de

  5. Molecular mechanics calculations on cobalt phthalocyanine dimers

    NARCIS (Netherlands)

    Heuts, J.P.A.; Schipper, E.T.W.M.; Piet, P.; German, A.L.

    1995-01-01

    In order to obtain insight into the structure of cobalt phthalocyanine dimers, molecular mechanics calculations were performed on dimeric cobalt phthalocyanine species. Molecular mechanics calculations are first presented on monomeric cobalt(II) phthalocyanine. Using the Tripos force field for the

  6. Topology Explains Why Automobile Sunshades Fold Oddly

    Science.gov (United States)

    Feist, Curtis; Naimi, Ramin

    2009-01-01

    Automobile sunshades always fold into an "odd" number of loops. The explanation why involves elementary topology (braid theory and linking number, both explained in detail here with definitions and examples), and an elementary fact from algebra about symmetric group.

  7. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... Disorders Video: The Basketball Game: An MRI Story Radiology and You Sponsored by Image/Video Gallery Your ... Explains Magnetic Resonance Angiography (MRA) Transcript Welcome to Radiology Info dot org Hello, I’m Dr. Elliot ...

  8. Explorers Presentation: Explaining the Tides to Children

    OpenAIRE

    Institute, Marine

    2015-01-01

    Explaining the tides to children Presentation includes information about: Orbits of the Earth, Moon and Sun; Moon phases and the lunar cycle; Gravity; Gravity and the tide; Types of tides; The tides and me!; Tide tables; Extra insight

  9. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... An MRI Story Radiology and You Sponsored by Image/Video Gallery Your Radiologist Explains Magnetic Resonance Angiography ( ... posted: How to Obtain and Share Your Medical Images Movement Disorders Video: The Basketball Game: An MRI ...

  10. A model to explain human voice production

    Science.gov (United States)

    Vilas Bôas, C. S. N.; Gobara, S. T.

    2018-05-01

    This article presents a device constructed with low-cost material to demonstrate and explain voice production. It also provides a contextualized, interdisciplinary approach to introduce the study of sound waves.

  11. (II) complexes

    African Journals Online (AJOL)

    activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

  12. Experiment CATETO II

    International Nuclear Information System (INIS)

    Hendriks, J.A.; Freudenreich, W.E.

    1994-03-01

    In the irradiation experiment CATETO II different reduced activation (RA) steels will be irradiated up to 2.5 dpa at a temperature of 300 C. The results of the calculation of the nuclear constants, the reactivity effect, and the activity of the steel samples are presented. (orig.)

  13. Theoretical calculation of performance enhancement in lattice-matched SiGeSn/GeSn p-channel tunneling field-effect transistor with type-II staggered tunneling junction

    Science.gov (United States)

    Wang, Hongjuan; Han, Genquan; Wang, Yibo; Peng, Yue; Liu, Yan; Zhang, Chunfu; Zhang, Jincheng; Hu, Shengdong; Hao, Yue

    2016-04-01

    In this work, a lattice-matched SiGeSn/GeSn heterostructure p-channel tunneling field-effect transistor (hetero-PTFET) with a type-II staggered tunneling junction (TJ) is investigated theoretically. Lattice matching and type-II band alignment at the Γ-point is obtained at the SiGeSn/GeSn interface by tuning Sn and Si compositions. A steeper subthreshold swing (SS) and a higher on state current (I ON) are demonstrated in SiGeSn/GeSn hetero-PTFET than in GeSn homo-PTFET. Si0.31Ge0.49Sn0.20/Ge0.88Sn0.12 hetero-PTFET achieves a 2.3-fold higher I ON than Ge0.88Sn0.12 homo-PTFET at V DD of 0.3 V. Hetero-PTFET achieves a more abrupt hole profile and a higher carrier density near TJ than the homo-PTFET, which contributes to the significantly enhanced band-to-band tunneling (BTBT) rate and tunneling current in hetero-PTFET.

  14. Students Explaining Science—Assessment of Science Communication Competence

    Science.gov (United States)

    Kulgemeyer, Christoph; Schecker, Horst

    2013-12-01

    Science communication competence (SCC) is an important educational goal in the school science curricula of several countries. However, there is a lack of research about the structure and the assessment of SCC. This paper specifies the theoretical framework of SCC by a competence model. We developed a qualitative assessment method for SCC that is based on an expert-novice dialog: an older student (explainer, expert) explains a physics phenomenon to a younger peer (addressee, novice) in a controlled test setting. The explanations are video-recorded and analysed by qualitative content analysis. The method was applied in a study with 46 secondary school students as explainers. Our aims were (a) to evaluate whether our model covers the relevant features of SCC, (b) to validate the assessment method and (c) to find characteristics of addressee-adequate explanations. A performance index was calculated to quantify the explainers' levels of competence on an ordinal scale. We present qualitative and quantitative evidence that the index is adequate for assessment purposes. It correlates with results from a written SCC test and a perspective taking test (convergent validity). Addressee-adequate explanations can be characterized by use of graphical representations and deliberate switches between scientific and everyday language.

  15. How much of the difference in life expectancy between Scottish cities does deprivation explain?

    Science.gov (United States)

    Seaman, R; Mitchell, R; Dundas, R; Leyland, A H; Popham, F

    2015-10-16

    Glasgow's low life expectancy and high levels of deprivation are well documented. Studies comparing Glasgow to similarly deprived cities in England suggest an excess of deaths in Glasgow that cannot be accounted for by deprivation. Within Scotland comparisons are more equivocal suggesting deprivation could explain Glasgow's excess mortality. Few studies have used life expectancy, an intuitive measure that quantifies the between-city difference in years. This study aimed to use the most up-to-date data to compare Glasgow to other Scottish cities and to (i) evaluate whether deprivation could account for lower life expectancy in Glasgow and (ii) explore whether the age distribution of mortality in Glasgow could explain its lower life expectancy. Sex specific life expectancy was calculated for 2007-2011 for the population in Glasgow and the combined population of Aberdeen, Dundee and Edinburgh. Life expectancy was calculated for deciles of income deprivation, based on the national ranking of datazones, using the Scottish Index of Multiple Deprivation. Life expectancy in Glasgow overall, and by deprivation decile, was compared to that in Aberdeen, Dundee and Edinburgh combined, and the life expectancy difference decomposed by age using Arriaga's discrete method. Life expectancy for the whole Glasgow population was lower than the population of Aberdeen, Dundee and Edinburgh combined. When life expectancy was compared by national income deprivation decile, Glasgow's life expectancy was not systematically lower, and deprivation accounted for over 90 % of the difference. This was reduced to 70 % of the difference when carrying out sensitivity analysis using city-specific income deprivation deciles. In both analyses life expectancy was not systematically lower in Glasgow when stratified by deprivation. Decomposing the differences in life expectancy also showed that the age distribution of mortality was not systematically different in Glasgow after accounting for deprivation

  16. Parameters calculation of shielding experiment

    International Nuclear Information System (INIS)

    Gavazza, S.

    1986-02-01

    The radiation transport methodology comparing the calculated reactions and dose rates for neutrons and gama-rays, with experimental measurements obtained on iron shield, irradiated in the YAYOI reactor is evaluated. The ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system, for cross sections generation collapsed by the ANISN code were used. The transport calculations were made using the DOT 3.5 code, adjusting the boundary iron shield source spectrum to the reactions and dose rates, measured at the beginning of shield. The neutron and gamma ray distributions calculated on the iron shield presented reasonable agreement with experimental measurements. An experimental arrangement using the IEA-R1 reactor to determine a shielding benchmark is proposed. (Author) [pt

  17. The DFT calculations of structures and EPR parameters for the dinuclear paddle-wheel copper(II) complex {Cu_2(μ_2-O_2CCH_3)_4}(OCNH{sub 2}CH{sub 3}) as powder or single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Chang-Chun; Wu, Shao-Yi; Xu, Yong-Qiang; Zhang, Li-Juan; Zhang, Zhi-Hong; Zhu, Qin-Sheng; Wu, Ming-He; Teng, Bao-Hua [Univ. of Electronic Science and Technology of China, Chengdu (China). School of Physical Electronics

    2017-07-01

    Density functional theory (DFT) calculations of the structures and the Cu{sup 2+} g factors (g{sub x}, g{sub y} and g{sub z}) and hyperfine coupling tensor A (A{sub x}, A{sub y} and A{sub z}) were performed for the paddle-wheel (PW)-type binuclear copper(II) complex {Cu_2(μ_2-O_2CCH_3)_4}(OCNH{sub 2}CH{sub 3}) powder and single crystal. Calculations were carried out with the ORCA software using the functionals BHandHlyp, B3P86 and B3LYP with five different basis sets: 6-311g, 6-311g(d,p), VTZ, def-2 and def2-TZVP. Results were tested by the MPAD analysis to find the most suitable functional and basis sets. The electronic structure and covalency between copper and oxygen were investigated by the electron localisation function and the localised orbital locator as well as the Mayer bond order for the [CuO{sub 5}] group. The optical spectra were theoretically calculated by the time-dependent DFT module and plotted by the Multiwfn program for the [CuO{sub 5}] group and reasonably associated with the local structure in the vicinity of the central ion copper. In addition, the interactions between the OCNH{sub 2}CH{sub 3}, NH{sub 3} and H{sub 2}O molecules and the uncoordinated PW copper(II) complex were studied, and the corresponding adsorption energies, the frequency shifts with respect to the free molecules and the changes of the Cu-Cu distances were calculated and compared with the relevant systems.

  18. Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II binary complexes of l-methionine in 1,2-propanediol-water mixtures

    Directory of Open Access Journals (Sweden)

    M. Padma Latha

    2007-04-01

    Full Text Available Chemical speciation of Pb(II, Cd(II, Hg(II, Co(II, Ni(II, Cu(II and Zn(II complexes of L-methionine in 0.0-60 % v/v 1,2-propanediol-water mixtures maintaining an ionic strength of 0.16 M at 303 K has been studied pH metrically. The active forms of ligand are LH2+, LH and L-. The predominant species detected are ML, MLH, ML2, ML2H, ML2H2 and MLOH. Models containing different numbers of species were refined by using the computer program MINIQUAD 75. The best-fit chemical models were arrived at based on statistical parameters. The trend in variation of complex stability constants with change in the dielectric constant of the medium is explained on the basis of electrostatic and non-electrostatic forces.

  19. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... Recently posted: The Limitations of Online Dose Calculators Video: The Basketball Game: An MRI Story Radiology and You Sponsored by ... Recently posted: The Limitations of Online Dose Calculators Video: The Basketball Game: An MRI Story Radiology and You Sponsored by ...

  20. Reduced dimension rovibrational variational calculations of the S{sub 1} state of C{sub 2}H{sub 2}. II. The S{sub 1} rovibrational manifold and the effects of isomerization

    Energy Technology Data Exchange (ETDEWEB)

    Changala, P. Bryan, E-mail: bryan.changala@colorado.edu; Baraban, Joshua H.; Field, Robert W. [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Stanton, John F. [Department of Chemistry and Biochemistry, Institute for Theoretical Chemistry, The University of Texas at Austin, Austin, Texas 78712 (United States); Merer, Anthony J. [Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan and Department of Chemistry, University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada)

    2014-01-14

    Reduced dimension variational calculations have been performed for the rovibrational level structure of the S{sub 1} state of acetylene. The state exhibits an unusually complicated level structure, for various reasons. First, the potential energy surface has two accessible conformers, trans and cis. The cis conformer lies about 2700 cm{sup −1} above the trans, and the barrier to cis-trans isomerization lies about 5000 cm{sup −1} above the trans minimum. The trans vibrations ν{sub 4} (torsion) and ν{sub 6} (asym. bend) interact very strongly by Darling-Dennison and Coriolis resonances, such that their combination levels and overtones form polyads with unexpected structures. Both conformers exhibit very large x{sub 36} cross-anharmonicity since the pathway to isomerization is a combination of ν{sub 6} and ν{sub 3} (sym. bend). Near the isomerization barrier, the vibrational levels show an even-odd K-staggering of their rotational levels as a result of quantum mechanical tunneling through the barrier. The present calculations address all of these complications, and reproduce the observed K-structures of the bending and C–C stretching levels with good qualitative accuracy. It is expected that they will assist with the assignment of the irregular patterns near the isomerization barrier.

  1. Relativistic model-potential oscillator strengths and transition probabilities for 4fsup(n)6s-4fsup(n)6p transitions in Eu(II), Tb(II), and Ho(II) in J1j coupling

    International Nuclear Information System (INIS)

    Migdalek, J.

    1984-01-01

    The lowest 4fsup(n)6s-4fsup(n)6p transitions are studied for the Eu(II) (n=7), Tb(II) (n=9), and Ho(II) (n=11) spectra, where the J 1 J coupling is an acceptable approximation. The relativistic radial integrals, required to evaluate the oscillator strengths and transition probabilities, are calculated with the model-potential method, which includes also core-polarization effects. The similarities observed in oscillator strengths for transitions with given ΔJ but different J values are discussed and explained. The computed oscillator strengths are compared with those obtained with the Coulomb approximation and it is found that the latter are only 11-12% lower. The core polarization influence on oscillator strengths is also investigated and the 19-21% decrease in oscillator strengths due to this effect is predicted. This result may, however, be overestimated because of some deficiencies in our procedure. (author)

  2. Do changes in connectivity explain desertification?

    Science.gov (United States)

    Desertification, broad-scale land degradation in drylands, is a major environmental hazard facing inhabitants of the world’s deserts as well as an important component of global change. There is no unifying framework that simply and effectively explains different forms of desertification. Here we arg...

  3. Can the inherence heuristic explain vitalistic reasoning?

    Science.gov (United States)

    Bastian, Brock

    2014-10-01

    Inherence is an important component of psychological essentialism. By drawing on vitalism as a way in which to explain this link, however, the authors appear to conflate causal explanations based on fixed features with those based on general causal forces. The disjuncture between these two types of explanatory principles highlights potential new avenues for the inherence heuristic.

  4. Explaining probalistic risk assessment in common language

    International Nuclear Information System (INIS)

    Wong, J.W.

    1994-01-01

    Probabilistic human health risk assessment is explained in ordinary language using a hypothetical example and the ingestion equation from EPA's Risk Assessment Guidance for Superfund. A section on understanding probabilities and probability distributions used in a Monte Carlo simulation is included as well as an appendix showing the computer run and the technical assumptions behind it

  5. Explaining Violence in Sierra Leone's Civil War

    African Journals Online (AJOL)

    Explaining the violence of civil war is never a simple task for the scholar. In the case of the Sierra Leone, paradoxically, the task has in some ways been rendered more difficult by the sheer variety of compelling scholarship on the question. This paper seeks to identify the most useful of the explanations offered thus far, and ...

  6. Measuring and explaining house price developments

    NARCIS (Netherlands)

    De Vries, P.

    2010-01-01

    This study discusses ways of measuring and explaining the development of house prices. The goal of the research underpinning this dissertation was to develop a methodological framework for studying these developments. This framework relates, first, to correcting for changes in the composition of

  7. Adaptive hatching hypotheses do not explain asynchronous ...

    African Journals Online (AJOL)

    At the core of the suite of adaptive hatching hypotheses advanced to explain asynchronous hatching in birds is the assumption that if food is not limited then all the hatchlings will develop normally to adulthood. In this study Brown-headed Parrot Poicephalus cryptoxanthus chicks were hand fed and weighed on a daily basis.

  8. Explaining convergence of oecd welfare states

    DEFF Research Database (Denmark)

    Schmitt, C.; Starke, Peter

    2011-01-01

    of conditional convergence helps to both better describe and explain the phenomenon. By applying error correction models, we examine conditional convergence of various types of social expenditure in 21 OECD countries between 1980 and 2005. Our empirical findings go beyond the existing literature in two respects...

  9. Explaining the VET Applied Research Developmental Framework

    Science.gov (United States)

    Simon, Linda; Beddie, Francesca M.

    2017-01-01

    This document explains the VET Applied Research Developmental Framework, created as part of a project that explored how the vocational education and training (VET) sector could broaden its engagement in Australia's research and development (R&D) and innovation systems. Achieving this engagement will rely significantly on building the…

  10. Explaining Teachers' Use of Textbooks

    Science.gov (United States)

    Reichenberg, Monica

    2016-01-01

    In educational systems without comprehensive systems for regulating textbooks, teachers can exert considerable influence on the use of textbooks. However, existing research has not yet identified the mechanisms of this use. Accordingly, the aim of this article is to examine and explain teachers' strategic use of textbooks. I administered a…

  11. Your Radiologist Explains Magnetic Resonance Angiography (MRA)

    Medline Plus

    Full Text Available ... Sponsored by Image/Video Gallery Your Radiologist Explains Magnetic Resonance Angiography (MRA) Transcript Welcome to Radiology Info dot ... I’d like to talk with you about magnetic resonance angiography, or as it’s commonly known, MRA. MRA ...

  12. BeII** revisited

    International Nuclear Information System (INIS)

    Fischer, C.F.

    1982-01-01

    Doubly excited 1s2snl and 1s2pnl quartet states of BeII** are readily populated in beam-foil experiments and line-rich spectra have been obtained covering 600 to 5500 A wavelength range. In spite of several theoretical calculations a substantial number of observed lines have not been identified. The quartet system in BeII is an intersting one from a theoretical point of view. Three electron systems are simple enough that a fairly high level of accuracy is attainable without the calculations becoming horrendous. The important correlation effects are between the outer two electrons and, to a good approximation, the three-electrons system may be treated as a two-electron system outside a 1s-core. The multi-configuration Hartree-Fock (MCHF) method has been used successfully in a number of studies. Programs are under development that take into account the non-orthogonality of orbitals in the initial and final state, and allow for some non-orthogonal orbitals in a wavefunction expansion. LS dependent relativistic effects are also included. A study of BeII** was undertaken to evaluate the MCHF techniques being developed and to assit in the identification of observed lines. Most of the earlier calculations concentrated on the lower-lying levels. In this work particular attention was given to the more highly-excited states, though calculations for lower-lying states had to be repeated in order to predict life-times

  13. Explaining formation of Astronomical Jets using Dynamic Universe Model

    Science.gov (United States)

    Naga Parameswara Gupta, Satyavarapu

    2016-07-01

    Astronomical jets are observed from the centres of many Galaxies including our own Milkyway. The formation of such jet is explained using SITA simulations of Dynamic Universe Model. For this purpose the path traced by a test neutron is calculated and depicted using a set up of one densemass of the mass equivalent to mass of Galaxy center, 90 stars with similar masses of stars near Galaxy center, mass equivalents of 23 Globular Cluster groups, 16 Milkyway parts, Andromeda and Triangulum Galaxies at appropriate distances. Five different kinds of theoretical simulations gave positive results The path travelled by this test neutron was found to be an astronomical jet emerging from Galaxy center. This is another result from Dynamic Universe Model. It solves new problems like a. Variable Mass Rocket Trajectory Problem b. Explaining Very long baseline interferometry (VLBI) observations c. Astronomical jets observed from Milkyway Center d. Prediction of Blue shifted Galaxies e. Explaining Pioneer Anomaly f. Prediction of New Horizons satellite trajectory etc. Dynamic Universe Model never reduces to General relativity on any condition. It uses a different type of mathematics based on Newtonian physics. This mathematics used here is simple and straightforward. As there are no differential equations present in Dynamic Universe Model, the set of equations give single solution in x y z Cartesian coordinates for every point mass for every time step

  14. Magnetic Field Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...

  15. Explaining money creation by commercial banks

    DEFF Research Database (Denmark)

    Ravn, Ib

    2015-01-01

    Educators and economists concerned with monetary reform face the extraordinary challenge of explaining to the public and its elected representatives not only what a reformed system would look like, but also how the current system works. Centrally, the point that in a modern economy money is largely...... created by commercial banks, as explained by the Bank of England recently (McLeay, Radia & Thomas, 2014b), is often met with incredulity: “What do you mean, created?” This paper introduces five easy-to-grasp analogies that educators and reformers may use to convey key money-creation concepts to a lay...... audience. The analogies offered include (1) money as patches in an expandable patchwork quilt that covers a nation’s real assets, (2) the money supply as water in a bathtub with a faucet and a drain, (3) money understood as debt in a model economy run by schoolchildren, (4) the misleading concept of a bank...

  16. HIV As Trojan Exosome: Immunological Paradox Explained?

    Science.gov (United States)

    Hildreth, James E K

    2017-01-01

    The HIV pandemic is still a major global challenge, despite the widespread availability of antiretroviral drugs. An effective vaccine would be the ideal approach to bringing the pandemic to an end. However, developing an effective HIV vaccine has proven to be an elusive goal. Three major human HIV vaccine trials revealed a strong trend toward greater risk of infection among vaccine recipients versus controls. A similar observation was made in a macaque SIV vaccine study. The mechanism explaining this phenomenon is not known. Here, a model is presented that may explain the troubling results of vaccine studies and an immunological paradox of HIV pathogenesis: preferential infection of HIV-specific T cells. The central hypothesis of this perspective is that as "Trojan exosomes" HIV particles can directly activate HIV-specific T cells enhancing their susceptibility to infection. Understanding the biology of HIV as an exosome may provide insights that enable novel approaches to vaccine development.

  17. Children's Theories and the Drive to Explain

    Science.gov (United States)

    Schwitzgebel, Eric

    Debate has been growing in developmental psychology over how much the cognitive development of children is like theory change in science. Useful debate on this topic requires a clear understanding of what it would be for a child to have a theory. I argue that existing accounts of theories within philosophy of science and developmental psychology either are less precise than is ideal for the task or cannot capture everyday theorizing of the sort that children, if they theorize, must do. I then propose an account of theories that ties theories and explanation very closely together, treating theories primarily as products of a drive to explain. I clarify some of the positions people have taken regarding the theory theory of development, and I conclude by proposing that psychologists interested in the ''theory theory'' look for patterns of affect and arousal in development that would accompany the existence of a drive to explain.

  18. Explaining the Allocation of Regional Structural Funds

    DEFF Research Database (Denmark)

    Charron, Nicholas

    2016-01-01

    What regional factors can explain the heterogeneity in Structural Funds distribution to European Union regions? Past studies have shown that aside from the level of economic development and rates of unemployment, other political, and economic factors systematically explain why certain European...... Union regions receive greater funding than others, in particular where there is room for bargaining. In this article, a novel theory is posited which argues that the determination of Structural Funds is based on an interaction between a region’s formal institutions (the level of a regional autonomy......) and informal institutions (its level of quality of government). In cases of low regional autonomy, member states and European Union level actors prefer to allocate greater levels of Funds to regions with lower quality of government in order to increase cohesion. Yet in cases of high regional autonomy, risks...

  19. IEE wiring regulations explained and illustrated

    CERN Document Server

    Scaddan, Brian

    2013-01-01

    The IEE Wiring Regulations Explained and Illustrated, Second Edition discusses the recommendations of the IEE Regulations for the Electrical Equipment of Buildings for the safe selection or erection of wiring installations. The book emphasizes earthing, bonding, protection, and circuit design of electrical wirings. The text reviews the fundamental requirements for safety, earthing systems, the earth fault loop impedance, and supplementary bonding. The book also describes the different types of protection, such as protection against mechanical damage, overcurrent, under voltage (which prevents

  20. A More Practical Method for Explaining Equilibrium

    OpenAIRE

    Yi-Jang Yu

    2014-01-01

    The aim of this study is to suggest a more practical method for explaining market equilibrium in a two-dimensional risk-return world. Its main difference from textbook contents is to define, in both qualitative and quantitative ways, the environment or the system factor and treat it as an endogenous variable. Once the two-dimensional framework that is capable of managing uncertainty and environmental relationship can be reasonably established, a greater number of economic issues can be effect...

  1. "Explaining the Gender Wage Gap in Georgia"

    OpenAIRE

    Tamar Khitarishvili

    2009-01-01

    This paper evaluates gender wage differentials in Georgia between 2000 and 2004. Using ordinary least squares, we find that the gender wage gap in Georgia is substantially higher than in other transition countries. Correcting for sample selection bias using the Heckman approach further increases the gender wage gap. The Blinder Oaxaca decomposition results suggest that most of the wage gap remains unexplained. The explained portion of the gap is almost entirely attributed to industrial variab...

  2. Explaining seeing? Disentangling qualia from perceptual organization.

    Science.gov (United States)

    Ibáñez, Agustin; Bekinschtein, Tristan

    2010-09-01

    Abstract Visual perception and integration seem to play an essential role in our conscious phenomenology. Relatively local neural processing of reentrant nature may explain several visual integration processes (feature binding or figure-ground segregation, object recognition, inference, competition), even without attention or cognitive control. Based on the above statements, should the neural signatures of visual integration (via reentrant process) be non-reportable phenomenological qualia? We argue that qualia are not required to understand this perceptual organization.

  3. Two-dimensional sensitivity calculation code: SENSETWO

    International Nuclear Information System (INIS)

    Yamauchi, Michinori; Nakayama, Mitsuo; Minami, Kazuyoshi; Seki, Yasushi; Iida, Hiromasa.

    1979-05-01

    A SENSETWO code for the calculation of cross section sensitivities with a two-dimensional model has been developed, on the basis of first order perturbation theory. It uses forward neutron and/or gamma-ray fluxes and adjoint fluxes obtained by two-dimensional discrete ordinates code TWOTRAN-II. The data and informations of cross sections, geometry, nuclide density, response functions, etc. are transmitted to SENSETWO by the dump magnetic tape made in TWOTRAN calculations. The required input for SENSETWO calculations is thus very simple. The SENSETWO yields as printed output the cross section sensitivities for each coarse mesh zone and for each energy group, as well as the plotted output of sensitivity profiles specified by the input. A special feature of the code is that it also calculates the reaction rate with the response function used as the adjoint source in TWOTRAN adjoint calculation and the calculated forward flux from the TWOTRAN forward calculation. (author)

  4. Methods for calculating nonconcave entropies

    International Nuclear Information System (INIS)

    Touchette, Hugo

    2010-01-01

    Five different methods which can be used to analytically calculate entropies that are nonconcave as functions of the energy in the thermodynamic limit are discussed and compared. The five methods are based on the following ideas and techniques: (i) microcanonical contraction, (ii) metastable branches of the free energy, (iii) generalized canonical ensembles with specific illustrations involving the so-called Gaussian and Betrag ensembles, (iv) the restricted canonical ensemble, and (v) the inverse Laplace transform. A simple long-range spin model having a nonconcave entropy is used to illustrate each method

  5. About APPLE II Operation

    International Nuclear Information System (INIS)

    Schmidt, T.; Zimoch, D.

    2007-01-01

    The operation of an APPLE II based undulator beamline with all its polarization states (linear horizontal and vertical, circular and elliptical, and continous variation of the linear vector) requires an effective description allowing an automated calculation of gap and shift parameter as function of energy and operation mode. The extension of the linear polarization range from 0 to 180 deg. requires 4 shiftable magnet arrrays, permitting use of the APU (adjustable phase undulator) concept. Studies for a pure fixed gap APPLE II for the SLS revealed surprising symmetries between circular and linear polarization modes allowing for simplified operation. A semi-analytical model covering all types of APPLE II and its implementation will be presented

  6. CO2 flowrate calculator

    International Nuclear Information System (INIS)

    Carossi, Jean-Claude

    1969-02-01

    A CO 2 flowrate calculator has been designed for measuring and recording the gas flow in the loops of Pegase reactor. The analog calculator applies, at every moment, Bernoulli's formula to the values that characterize the carbon dioxide flow through a nozzle. The calculator electronics is described (it includes a sampling calculator and a two-variable function generator), with its amplifiers, triggers, interpolator, multiplier, etc. Calculator operation and setting are presented

  7. Explaining variation in Down's syndrome screening uptake

    DEFF Research Database (Denmark)

    Crombag, Neeltje M T H; Vellinga, Ynke E; Kluijfhout, Sandra A

    2014-01-01

    ), in an attempt to explain the observed variation in national uptake rates. METHODS: We used a mixed methods approach with an embedded design: a) documentary analysis and b) expert stakeholder analysis. National central statistical offices and legal documents were studied first to gain insight in demographic....... RESULTS: There were many similarities in the demographics, healthcare systems, government abortion legislation and Down's syndrome screening policy across the studied countries. However, the additional cost for Down's syndrome screening over and above standard antenatal care in the Netherlands...

  8. SOME THEORETICAL MODELS EXPLAINING ADVERTISING EFFECTS

    Directory of Open Access Journals (Sweden)

    Vasilica Magdalena SOMEŞFĂLEAN

    2014-06-01

    Full Text Available Persuade clients is still the main focus of the companies, using a set of methods and techniques designed to influence their behavior, in order to obtain better results (profits over a longer period of time. Since the late nineteenth - early twentieth century, the american E.St.Elmo Lewis, considered a pioneer in advertising and sales, developed the first theory, AIDA model, later used by marketers and advertisers to develop a marketing communications strategy. Later studies have developed other models that are the main subject of this research, which explains how and why persuasive communication works, to understand why some approaches are effective and others are not.

  9. Weaker dental enamel explains dental decay.

    Science.gov (United States)

    Vieira, Alexandre R; Gibson, Carolyn W; Deeley, Kathleen; Xue, Hui; Li, Yong

    2015-01-01

    Dental caries continues to be the most prevalent bacteria-mediated non-contagious disease of humankind. Dental professionals assert the disease can be explained by poor oral hygiene and a diet rich in sugars but this does not account for caries free individuals exposed to the same risk factors. In order to test the hypothesis that amount of amelogenin during enamel development can influence caries susceptibility, we generated multiple strains of mice with varying levels of available amelogenin during dental development. Mechanical tests showed that dental enamel developed with less amelogenin is "weaker" while the dental enamel of animals over-expressing amelogenin appears to be more resistant to acid dissolution.

  10. EXPLAINING THE ASSOCIATION BETWEEN INCARCERATION AND DIVORCE*

    Science.gov (United States)

    Siennick, Sonja E.; Stewart, Eric A.; Staff, Jeremy

    2014-01-01

    Recent studies have suggested that incarceration dramatically increases the odds of divorce, but we know little about the mechanisms that explain the association. This study uses prospective longitudinal data from a subset of married young adults in the National Longitudinal Study of Adolescent Health (N = 1,919) to examine whether incarceration is associated with divorce indirectly via low marital love, economic strain, relationship violence, and extramarital sex. The findings confirmed that incarcerations occurring during, but not before, a marriage were associated with an increased hazard of divorce. Incarcerations occurring during marriage also were associated with less marital love, more relationship violence, more economic strain, and greater odds of extramarital sex. Above-average levels of economic strain were visible among respondents observed preincarceration, but only respondents observed postincarceration showed less marital love, more relationship violence, and higher odds of extramarital sex than did respondents who were not incarcerated during marriage. These relationship problems explained approximately 40 percent of the association between incarceration and marital dissolution. These findings are consistent with theoretical predictions that a spouse’s incarceration alters the rewards and costs of the marriage and the relative attractiveness of alternative partners. PMID:25598544

  11. Explaining Asian Americans’ academic advantage over whites

    Science.gov (United States)

    Hsin, Amy; Xie, Yu

    2014-01-01

    The superior academic achievement of Asian Americans is a well-documented phenomenon that lacks a widely accepted explanation. Asian Americans’ advantage in this respect has been attributed to three groups of factors: (i) socio-demographic characteristics, (ii) cognitive ability, and (iii) academic effort as measured by characteristics such as attentiveness and work ethic. We combine data from two nationally representative cohort longitudinal surveys to compare Asian-American and white students in their educational trajectories from kindergarten through high school. We find that the Asian-American educational advantage is attributable mainly to Asian students exerting greater academic effort and not to advantages in tested cognitive abilities or socio-demographics. We test explanations for the Asian–white gap in academic effort and find that the gap can be further attributed to (i) cultural differences in beliefs regarding the connection between effort and achievement and (ii) immigration status. Finally, we highlight the potential psychological and social costs associated with Asian-American achievement success. PMID:24799702

  12. Explaining Asian Americans' academic advantage over whites.

    Science.gov (United States)

    Hsin, Amy; Xie, Yu

    2014-06-10

    The superior academic achievement of Asian Americans is a well-documented phenomenon that lacks a widely accepted explanation. Asian Americans' advantage in this respect has been attributed to three groups of factors: (i) socio-demographic characteristics, (ii) cognitive ability, and (iii) academic effort as measured by characteristics such as attentiveness and work ethic. We combine data from two nationally representative cohort longitudinal surveys to compare Asian-American and white students in their educational trajectories from kindergarten through high school. We find that the Asian-American educational advantage is attributable mainly to Asian students exerting greater academic effort and not to advantages in tested cognitive abilities or socio-demographics. We test explanations for the Asian-white gap in academic effort and find that the gap can be further attributed to (i) cultural differences in beliefs regarding the connection between effort and achievement and (ii) immigration status. Finally, we highlight the potential psychological and social costs associated with Asian-American achievement success.

  13. Nuclear fuel cycle cost and cost calculation

    International Nuclear Information System (INIS)

    Schmiedel, P.; Schricker, W.

    1975-01-01

    Four different methods of calculating the cost of the fuel cycle are explained, starting from the individual cost components with their specific input data. The results (for LWRs) are presented in tabular form and in the form of diagrams. (RB) [de

  14. Engineering calculations in radiative heat transfer

    CERN Document Server

    Gray, W A; Hopkins, D W

    1974-01-01

    Engineering Calculations in Radiative Heat Transfer is a six-chapter book that first explains the basic principles of thermal radiation and direct radiative transfer. Total exchange of radiation within an enclosure containing an absorbing or non-absorbing medium is then described. Subsequent chapters detail the radiative heat transfer applications and measurement of radiation and temperature.

  15. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.

  16. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer

  17. Explaining fruit and vegetable intake using a consumer marketing tool.

    Science.gov (United States)

    Della, Lindsay J; Dejoy, David M; Lance, Charles E

    2009-10-01

    In response to calls to reinvent the 5 A Day fruit and vegetable campaign, this study assesses the utility of VALS, a consumer-based audience segmentation tool that divides the U.S. population into groups leading similar lifestyles. The study examines whether the impact of theory of planned behavior (TPB) constructs varies across VALS groups in a cross-sectional sample of 1,588 U.S. adults. In a multigroup structural equation model, the VALS audience group variable moderated latent TPB relationships. Attitudes, subjective norms, and perceived behavioral control explained 57% to 70% of the variation in intention to eat fruit and vegetables across 5 different VALS groups. Perceived behavioral control and intention also predicted self-reported consumption behavior (R2 = 20% to 71% across VALS groups). Bivariate z tests were calculated to determine statistical differences in parameter estimates across groups. Nine of the bivariate z tests were statistically significant (p audiences for fruit and vegetable consumption messaging.

  18. Modern elementary particle physics explaining and extending the standard model

    CERN Document Server

    Kane, Gordon

    2017-01-01

    This book is written for students and scientists wanting to learn about the Standard Model of particle physics. Only an introductory course knowledge about quantum theory is needed. The text provides a pedagogical description of the theory, and incorporates the recent Higgs boson and top quark discoveries. With its clear and engaging style, this new edition retains its essential simplicity. Long and detailed calculations are replaced by simple approximate ones. It includes introductions to accelerators, colliders, and detectors, and several main experimental tests of the Standard Model are explained. Descriptions of some well-motivated extensions of the Standard Model prepare the reader for new developments. It emphasizes the concepts of gauge theories and Higgs physics, electroweak unification and symmetry breaking, and how force strengths vary with energy, providing a solid foundation for those working in the field, and for those who simply want to learn about the Standard Model.

  19. Explaining the democratic anchorage of governance networks

    DEFF Research Database (Denmark)

    Skelcher, Chris; Klijn, Erik-Hans; Kübler, Daniel

    2011-01-01

    Advances in understanding the democratic anchorage of governance networks require carefully designed and contextually grounded empirical analysis that take into account contextual factors. The article uses a conjectural framework to study the impact of the national democratic milieu...... on the relationship between network governance and representative institutions in four European countries: the United Kingdom, Switzerland, the Netherlands, and Denmark. The article shows that the distinction between majoritarian and consensus democracy as well as the varying strength of voluntary associations...... are important contextual factors that help explain cross-national differences in the relationship between governance networks and representative institutions. We conclude that a context of weak associationalism in majoritarian democracies facilitates the instrumentalization of networks by government actors...

  20. Explaining CMS lepton excesses with supersymmetry

    CERN Multimedia

    CERN. Geneva; Prof. Allanach, Benjamin

    2014-01-01

    1) Kostas Theofilatos will give an introduction to CMS result 2) Ben Allanach: Several CMS analyses involving di-leptons have recently reported small 2.4-2.8 sigma local excesses: nothing to get too excited about, but worth keeping an eye on nonetheless. In particular, a search in the $lljj p_T$(miss) channel, a search for $W_R$ in the $lljj$ channel and a di-leptoquark search in the $lljj$ channel and $ljj p_T$(miss) channel have all yielded small excesses. We interpret the first excess in the MSSM, showing that the interpretation is viable in terms of other constraints, despite only having squark masses of around 1 TeV. We can explain the last three excesses with a single R-parity violating coupling that predicts a non-zero contribution to the neutrinoless double beta decay rate.

  1. Explaining the moral of the story.

    Science.gov (United States)

    Walker, Caren M; Lombrozo, Tania

    2017-10-01

    Although storybooks are often used as pedagogical tools for conveying moral lessons to children, the ability to spontaneously extract "the moral" of a story develops relatively late. Instead, children tend to represent stories at a concrete level - one that highlights surface features and understates more abstract themes. Here we examine the role of explanation in 5- and 6-year-old children's developing ability to learn the moral of a story. Two experiments demonstrate that, relative to a control condition, prompts to explain aspects of a story facilitate children's ability to override salient surface features, abstract the underlying moral, and generalize that moral to novel contexts. In some cases, generating an explanation is more effective than being explicitly told the moral of the story, as in a more traditional pedagogical exchange. These findings have implications for moral comprehension, the role of explanation in learning, and the development of abstract reasoning in early childhood. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Explaining NDVI trends in northern Burkina Faso

    DEFF Research Database (Denmark)

    Rasmussen, Kjeld; Fensholt, Rasmus; Fog, Bjarne

    2014-01-01

    by a distinct spatial pattern and strongly dominated by negative trends in Normalized Difference Vegetation Index (NDVI). The aim of the paper is to explain this distinct pattern. When studied over the period 2000–2012, using NDVI data from the MODIS sensor the spatial pattern of NDVI trends indicates that non......-climatic factors are involved. By relating NDVI trends to landscape elements and land use change we demonstrate that NDVI trends in the north-western parts of the study area are mostly related to landscape elements, while this is not the case in the south-eastern parts, where rapidly changing land use, including....... expansion of irrigation, plays a major role. It is inferred that a process of increased redistribution of fine soil material, water and vegetation from plateaus and slopes to valleys, possibly related to higher grazing pressure, may provide an explanation of the observed pattern of NDVI trends. Further work...

  3. Can molecular cell biology explain chromosome motions?

    Directory of Open Access Journals (Sweden)

    Gagliardi L

    2011-05-01

    Full Text Available Abstract Background Mitotic chromosome motions have recently been correlated with electrostatic forces, but a lingering "molecular cell biology" paradigm persists, proposing binding and release proteins or molecular geometries for force generation. Results Pole-facing kinetochore plates manifest positive charges and interact with negatively charged microtubule ends providing the motive force for poleward chromosome motions by classical electrostatics. This conceptual scheme explains dynamic tracking/coupling of kinetochores to microtubules and the simultaneous depolymerization of kinetochore microtubules as poleward force is generated. Conclusion We question here why cells would prefer complex molecular mechanisms to move chromosomes when direct electrostatic interactions between known bound charge distributions can accomplish the same task much more simply.

  4. Explaining fast radio bursts through Dicke's superradiance

    Science.gov (United States)

    Houde, Martin; Mathews, Abhilash; Rajabi, Fereshteh

    2018-03-01

    Fast radio bursts (FRBs), characterized by strong bursts of radiation intensity at radio wavelengths lasting on the order of a millisecond, have yet to be firmly associated with a family, or families, of astronomical sources. It follows that despite the large number of proposed models, no well-defined physical process has been identified to explain this phenomenon. In this paper, we demonstrate how Dicke's superradiance, for which evidence has recently been found in the interstellar medium, can account for the characteristics associated with FRBs. Our analysis and modelling of previously detected FRBs suggest they could originate from regions in many ways similar to those known to harbour masers or megamasers, and result from the coherent radiation emanating from populations of molecules associated with large-scale entangled quantum mechanical states. We estimate this entanglement to involve as many as ˜1030 to ˜1032 molecules over distances spanning 100-1000 au.

  5. Explaining mutualism variation: a new evolutionary paradox?

    Science.gov (United States)

    Heath, Katy D; Stinchcombe, John R

    2014-02-01

    The paradox of mutualism is typically framed as the persistence of interspecific cooperation, despite the potential advantages of cheating. Thus, mutualism research has tended to focus on stabilizing mechanisms that prevent the invasion of low-quality partners. These mechanisms alone cannot explain the persistence of variation for partner quality observed in nature, leaving a large gap in our understanding of how mutualisms evolve. Studying partner quality variation is necessary for applying genetically explicit models to predict evolution in natural populations, a necessary step for understanding the origins of mutualisms as well as their ongoing dynamics. An evolutionary genetic approach, which is focused on naturally occurring mutualist variation, can potentially synthesize the currently disconnected fields of mutualism evolution and coevolutionary genetics. We outline explanations for the maintenance of genetic variation for mutualism and suggest approaches necessary to address them. © 2013 The Author(s). Evolution © 2013 The Society for the Study of Evolution.

  6. Explaining excess morbidity amongst homeless shelter users

    DEFF Research Database (Denmark)

    Benjaminsen, Lars; Birkelund, Jesper Fels

    2018-01-01

    AIMS: This article analyses excess morbidity amongst homeless shelter users compared to the general Danish population. The study provides an extensive control for confounding and investigates to what extent excess morbidity is explained by homelessness or other risk factors. METHODS: Data set...... includes administrative micro-data for 4,068,926 Danes who were 23 years or older on 1 January 2007. Nationwide data on shelter use identified 14,730 individuals as shelter users from 2002 to 2006. Somatic diseases were measured from 2007 to 2011 through diagnosis data from hospital discharges. The risk...... of somatic diseases amongst shelter users was analysed through a multivariate model that decomposed the total effect into a direct effect and indirect effects mediated by other risk factors. RESULTS: The excess morbidity associated with shelter use is substantially lower than in studies that did not include...

  7. Queller's separation condition explained and defended.

    Science.gov (United States)

    Birch, Jonathan; Marshall, James A R

    2014-10-01

    The theories of inclusive fitness and multilevel selection provide alternative perspectives on social evolution. The question of whether these perspectives are of equal generality remains a divisive issue. In an analysis based on the Price equation, Queller argued (by means of a principle he called the separation condition) that the two approaches are subject to the same limitations, arising from their fundamentally quantitative-genetical character. Recently, van Veelen et al. have challenged Queller's results, using this as the basis for a broader critique of the Price equation, the separation condition, and the very notion of inclusive fitness. Here we show that the van Veelen et al. model, when analyzed in the way Queller intended, confirms rather than refutes his original conclusions. We thereby confirm (i) that Queller's separation condition remains a legitimate theoretical principle and (ii) that the standard inclusive fitness and multilevel approaches are indeed subject to the same limitations.

  8. Calculating lattice thermal conductivity: a synopsis

    Science.gov (United States)

    Fugallo, Giorgia; Colombo, Luciano

    2018-04-01

    We provide a tutorial introduction to the modern theoretical and computational schemes available to calculate the lattice thermal conductivity in a crystalline dielectric material. While some important topics in thermal transport will not be covered (including thermal boundary resistance, electronic thermal conduction, and thermal rectification), we aim at: (i) framing the calculation of thermal conductivity within the general non-equilibrium thermodynamics theory of transport coefficients, (ii) presenting the microscopic theory of thermal conduction based on the phonon picture and the Boltzmann transport equation, and (iii) outlining the molecular dynamics schemes to calculate heat transport. A comparative and critical addressing of the merits and drawbacks of each approach will be discussed as well.

  9. Subcritical calculation of the nuclear material warehouse

    International Nuclear Information System (INIS)

    Garcia M, T.; Mazon R, R.

    2009-01-01

    In this work the subcritical calculation of the nuclear material warehouse of the Reactor TRIGA Mark III labyrinth in the Mexico Nuclear Center is presented. During the adaptation of the nuclear warehouse (vault I), the fuel was temporarily changed to the warehouse (vault II) and it was also carried out the subcritical calculation for this temporary arrangement. The code used for the calculation of the effective multiplication factor, it was the Monte Carlo N-Particle Extended code known as MCNPX, developed by the National Laboratory of Los Alamos, for the particles transport. (Author)

  10. Prenatal radiation exposure. Dose calculation

    International Nuclear Information System (INIS)

    Scharwaechter, C.; Schwartz, C.A.; Haage, P.; Roeser, A.

    2015-01-01

    The unborn child requires special protection. In this context, the indication for an X-ray examination is to be checked critically. If thereupon radiation of the lower abdomen including the uterus cannot be avoided, the examination should be postponed until the end of pregnancy or alternative examination techniques should be considered. Under certain circumstances, either accidental or in unavoidable cases after a thorough risk assessment, radiation exposure of the unborn may take place. In some of these cases an expert radiation hygiene consultation may be required. This consultation should comprise the expected risks for the unborn while not perturbing the mother or the involved medical staff. For the risk assessment in case of an in-utero X-ray exposition deterministic damages with a defined threshold dose are distinguished from stochastic damages without a definable threshold dose. The occurrence of deterministic damages depends on the dose and the developmental stage of the unborn at the time of radiation. To calculate the risks of an in-utero radiation exposure a three-stage concept is commonly applied. Depending on the amount of radiation, the radiation dose is either estimated, roughly calculated using standard tables or, in critical cases, accurately calculated based on the individual event. The complexity of the calculation thereby increases from stage to stage. An estimation based on stage one is easily feasible whereas calculations based on stages two and especially three are more complex and often necessitate execution by specialists. This article demonstrates in detail the risks for the unborn child pertaining to its developmental phase and explains the three-stage concept as an evaluation scheme. It should be noted, that all risk estimations are subject to considerable uncertainties.

  11. TBscore II

    DEFF Research Database (Denmark)

    Rudolf, Frauke; Lemvik, Grethe; Abate, Ebba

    2013-01-01

    Abstract Background: The TBscore, based on simple signs and symptoms, was introduced to predict unsuccessful outcome in tuberculosis patients on treatment. A recent inter-observer variation study showed profound variation in some variables. Further, some variables depend on a physician assessing...... them, making the score less applicable. The aim of the present study was to simplify the TBscore. Methods: Inter-observer variation assessment and exploratory factor analysis were combined to develop a simplified score, the TBscore II. To validate TBscore II we assessed the association between start...

  12. 'Universal' Distribution of Interearthquake Times Explained

    International Nuclear Information System (INIS)

    Saichev, A.; Sornette, D.

    2006-01-01

    We propose a simple theory for the 'universal' scaling law previously reported for the distributions of waiting times between earthquakes. It is based on a largely used benchmark model of seismicity, which just assumes no difference in the physics of foreshocks, mainshocks, and aftershocks. Our theoretical calculations provide good fits to the data and show that universality is only approximate. We conclude that the distributions of interevent times do not reveal more information than what is already known from the Gutenberg-Richter and the Omori power laws. Our results reinforce the view that triggering earthquakes by other earthquakes is a key physical mechanism to understand seismicity

  13. Calculation of groundwater travel time

    International Nuclear Information System (INIS)

    Arnett, R.C.; Sagar, B.; Baca, R.G.

    1984-12-01

    Pre-waste-emplacement groundwater travel time is one indicator of the isolation capability of the geologic system surrounding a repository. Two distinct modeling approaches exist for prediction of groundwater flow paths and travel times from the repository location to the designated accessible environment boundary. These two approaches are: (1) the deterministic approach which calculates a single value prediction of groundwater travel time based on average values for input parameters and (2) the stochastic approach which yields a distribution of possible groundwater travel times as a function of the nature and magnitude of uncertainties in the model inputs. The purposes of this report are to (1) document the theoretical (i.e., mathematical) basis used to calculate groundwater pathlines and travel times in a basalt system, (2) outline limitations and ranges of applicability of the deterministic modeling approach, and (3) explain the motivation for the use of the stochastic modeling approach currently being used to predict groundwater pathlines and travel times for the Hanford Site. Example calculations of groundwater travel times are presented to highlight and compare the differences between the deterministic and stochastic modeling approaches. 28 refs

  14. Explaining evolution via constrained persistent perfect phylogeny

    Science.gov (United States)

    2014-01-01

    Background The perfect phylogeny is an often used model in phylogenetics since it provides an efficient basic procedure for representing the evolution of genomic binary characters in several frameworks, such as for example in haplotype inference. The model, which is conceptually the simplest, is based on the infinite sites assumption, that is no character can mutate more than once in the whole tree. A main open problem regarding the model is finding generalizations that retain the computational tractability of the original model but are more flexible in modeling biological data when the infinite site assumption is violated because of e.g. back mutations. A special case of back mutations that has been considered in the study of the evolution of protein domains (where a domain is acquired and then lost) is persistency, that is the fact that a character is allowed to return back to the ancestral state. In this model characters can be gained and lost at most once. In this paper we consider the computational problem of explaining binary data by the Persistent Perfect Phylogeny model (referred as PPP) and for this purpose we investigate the problem of reconstructing an evolution where some constraints are imposed on the paths of the tree. Results We define a natural generalization of the PPP problem obtained by requiring that for some pairs (character, species), neither the species nor any of its ancestors can have the character. In other words, some characters cannot be persistent for some species. This new problem is called Constrained PPP (CPPP). Based on a graph formulation of the CPPP problem, we are able to provide a polynomial time solution for the CPPP problem for matrices whose conflict graph has no edges. Using this result, we develop a parameterized algorithm for solving the CPPP problem where the parameter is the number of characters. Conclusions A preliminary experimental analysis shows that the constrained persistent perfect phylogeny model allows to

  15. Pb II

    African Journals Online (AJOL)

    Windows User

    This investigation describes the use of non-living biomass of Aspergillus caespitosus for removal of ... Pb(II) production has exceeded 3.5 million tons per year. It has been used in the ... This biomass was selected after screening a wide range of microbes. .... prolonged, which proved better biopolymer in metal uptake (Gadd ...

  16. Classical hair in string theory. II. Explicit calculations

    International Nuclear Information System (INIS)

    Larsen, F.

    1997-01-01

    For pt.I see ibid., vol.475, p.627-44, 1996. After emphasizing the importance of obtaining a space-time understanding of black hole entropy, we further elaborate our program to identify the degrees of freedom of black holes with classical space-time degrees of freedom. The Cvetic-Youm dyonic black holes are discussed in some detail as an example. In this example hair degrees of freedom transforming as an effective string can be identified explicitly. We discuss issues concerning charge quantization, identification of winding, and tension renormalization that arise in counting the associated degrees of freedom. The possibility of other forms of hair in this example, and the prospects for making contact with D-brane ideas, are briefly considered. (orig.)

  17. Core integrity calculations for Heysham II/Torness AGR

    International Nuclear Information System (INIS)

    Prince, N.; Briody, R.F.; Rossiter, F.

    1982-01-01

    Graphite core components experience applied loads which cause tensile stresses at the fuel brick keyway root. Finite element stress analyses over a range of corrosion profiles have identified a simple ''effective weight loss'' criterion which is directly related to brick failure load. Differential shrinkage rates cause self-stresses to arise which are expected to be tensile at the keyway root at end of life, thus reducing the residual strength of the brick. Finite element methods have been developed for obtaining instantaneous values of self-stress allowing for irradiation creep. These techniques provide the designer with rapid and inexpensive methods for assessing brick stresses with a high degree of confidence. (author)

  18. Calculation of spatial distribution of the EURACOS II converter source

    International Nuclear Information System (INIS)

    Santo, A.C.F. de

    1985-01-01

    It is obtained the neutron spatial flux from the EURACOS (Enriched Uranium Converter Source) device, adjusted to experimental measures. The EURACOS device is a converter source which is constituted a circle plate of highly enriched uranium (90%). The converter provides an intense source of fast neutrons which has the energetic spectrum near to the fission spectrum. (M.C.K.) [pt

  19. Comparative analysis of Carnaval II Library

    International Nuclear Information System (INIS)

    Santos Bastos, W. dos

    1981-01-01

    The Carnaval II cross sections library from the french fast reactor calculation system is evaluated in two ways: 1 0 ) a comparative analysis of the calculations system for fast reactors at IEN (Instituto de Engenharia Nuclear) using a 'benchmark' model is done; 2 0 ) a comparative analysis in relation to the french system itself is also done, using calculations realized with two versions of the french library: the SETR-II and the CARNAVAL IV, the first one being anterior and the second one posterior to the Carnaval II version, the one used by IEN. (Author) [pt

  20. Dark matter "transporting" mechanism explaining positron excesses

    Science.gov (United States)

    Kim, Doojin; Park, Jong-Chul; Shin, Seodong

    2018-04-01

    We propose a novel mechanism to explain the positron excesses, which are observed by satellite-based telescopes including PAMELA and AMS-02, in dark matter (DM) scenarios. The novelty behind the proposal is that it makes direct use of DM around the Galactic Center where DM populates most densely, allowing us to avoid tensions from cosmological and astrophysical measurements. The key ingredients of this mechanism include DM annihilation into unstable states with a very long laboratory-frame life time and their "retarded" decay near the Earth to electron-positron pair(s) possibly with other (in)visible particles. We argue that this sort of explanation is not in conflict with relevant constraints from big bang nucleosynthesis and cosmic microwave background. Regarding the resultant positron spectrum, we provide a generalized source term in the associated diffusion equation, which can be readily applicable to any type of two-"stage" DM scenarios wherein production of Standard Model particles occurs at completely different places from those of DM annihilation. We then conduct a data analysis with the recent AMS-02 data to validate our proposal.

  1. Explaining Global Secularity: Existential Security or Education?

    Directory of Open Access Journals (Sweden)

    Claude M. J. Braun

    2012-11-01

    Full Text Available At the time of data analysis for this report there were 193 countries in the world. Various institutions – the United Nations, the World Health Organization, the CIA, the World Values Survey, Gallup, and many others – have performed sophisticated statistical analyses on cross-national data. The present investigation demonstrates that valid and reliable data concerning religiosity and secularity exist for most countries and that these data are comparable. Cross-national data relating to social, political, economic and cultural aspects of life were tested for correlation with religiosity/secularity. In contrast to the most widely accepted general account of secularity, the Existential Security Framework (ESF; Norris & Inglehart, 2004, secularity was not most highly related to material security, though these were highly related. Rather, secularity was most strongly related to the degree of formal education attained. Material security explained no significant variance beyond education. Thus, religion’s primary function in the world today is being replaced, not so much by the pseudo-materialistic supplication for better living conditions as posited by the ESF, but by contemporary education – extensive knowledge of contemporary cultures, philosophy, modes of thought or processes of reasoning.

  2. Explaining Polarization Reversals in STEREO Wave Data

    Science.gov (United States)

    Breneman, A.; Cattell, C.; Wygant, J.; Kersten, K.; Wilson, L, B., III; Dai, L.; Colpitts, C.; Kellogg, P. J.; Goetz, K.; Paradise, A.

    2012-01-01

    Recently Breneman et al. reported observations of large amplitude lightning and transmitter whistler mode waves from two STEREO passes through the inner radiation belt (Lpaper. We show, with a combination of observations and simulated wave superposition, that these polarization reversals are due to the beating of an incident electromagnetic whistler mode wave at 21.4 kHz and linearly polarized, symmetric lower hybrid sidebands Doppler-shifted from the incident wave by +/-200 Hz. The existence of the lower hybrid waves is consistent with the parametric decay mechanism of Lee and Kuo whereby an incident whistler mode wave decays into symmetric, short wavelength lower hybrid waves and a purely growing (zero-frequency) mode. Like the lower hybrid waves, the purely growing mode is Doppler-shifted by 200 Hz as observed on STEREO. This decay mechanism in the upper ionosphere has been previously reported at equatorial latitudes and is thought to have a direct connection with explosive spread F enhancements. As such it may represent another dissipation mechanism of VLF wave energy in the ionosphere and may help to explain a deficit of observed lightning and transmitter energy in the inner radiation belts as reported by Starks et al.

  3. Factors explaining priority setting at community mental health centres: a quantitative analysis of referral assessments.

    Science.gov (United States)

    Grepperud, Sverre; Holman, Per Arne; Wangen, Knut Reidar

    2014-12-14

    Clinicians at Norwegian community mental health centres assess referrals from general practitioners and classify them into three priority groups (high priority, low priority, and refusal) according to need where need is defined by three prioritization criteria (severity, effect, and cost-effectiveness). In this study, we seek to operationalize the three criteria and analyze to what extent they have an effect on clinical-level priority setting after controlling for clinician characteristics and organisational factors. Twenty anonymous referrals were rated by 42 admission team members employed at 14 community mental health centres in the South-East Health Region of Norway. Intra-class correlation coefficients were calculated and logistic regressions were performed. Variation in clinicians' assessments of the three criteria was highest for effect and cost-effectiveness. An ordered logistic regression model showed that all three criteria for prioritization, three clinician characteristics (education, being a manager or not, and "guideline awareness"), and the centres themselves (fixed effects), explained priority decisions. The relative importance of the explanatory factors, however, depended on the priority decision studied. For the classification of all admitted patients into high- and low-priority groups, all clinician characteristics became insignificant. For the classification of patients, into those admitted and non-admitted, one criterion (effect) and "being a manager or not" became insignificant, while profession ("being a psychiatrist") became significant. Our findings suggest that variation in priority decisions can be reduced by: (i) reducing the disagreement in clinicians' assessments of cost-effectiveness and effect, and (ii) restricting priority decisions to clinicians with a similar background (education, being a manager or not, and "guideline awareness").

  4. Electronics Environmental Benefits Calculator

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...

  5. Electrical installation calculations basic

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo

  6. Electrical installation calculations advanced

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio

  7. Radar Signature Calculation Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...

  8. Waste Package Lifting Calculation

    International Nuclear Information System (INIS)

    H. Marr

    2000-01-01

    The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation

  9. Antimicrobial Exposure Assessment Task Force II (AEATF II) Volume 5: Governing Document for a Multi-Year Antimicrobial Chemical Exposure Monitoring Program (interim draft document with changes)

    Science.gov (United States)

    This document describes the overall scope of the AEATF II program, demonstrates the need for additional human exposure monitoring data and explains the proposed methodology for the exposure monitoring studies proposed for conduct by the AEATF II.

  10. Antimicrobial Exposure Assessment Task Force II (AEATF II) Volume 5: Governing Document for a Multi-Year Antimicrobial Chemical Exposure Monitoring Program (interim draft document)

    Science.gov (United States)

    Describes the overall scope of the AEATF II program, demonstrates the need for additional human exposure monitoring data and explains the proposed methodology for the exposure monitoring studies proposed for conduct by the AEATF II.

  11. Explaining Counterfeit Alcohol Purchases in Russia.

    Science.gov (United States)

    Kotelnikova, Zoya

    2017-04-01

    of surrogate alcohol (i.e., nonbeverage) are more influential in explaining why people purchase counterfeit alcohol. Further research on these 2 factors is needed to more fully understand the purchase and consumption of counterfeit alcoholic beverages. Copyright © 2017 by the Research Society on Alcoholism.

  12. Explaining the entropy concept and entropy components

    Directory of Open Access Journals (Sweden)

    Marko Popovic

    2018-04-01

    Full Text Available Total entropy of a thermodynamic system consists of two components: thermal entropy due to energy, and residual entropy due to molecular orientation. In this article, a three-step method for explaining entropy is suggested. Step one is to use a classical method to introduce thermal entropy STM as a function of temperature T and heat capacity at constant pressure Cp: STM = ∫(Cp/T dT. Thermal entropy is the entropy due to uncertainty in motion of molecules and vanishes at absolute zero (zero-point energy state. It is also the measure of useless thermal energy that cannot be converted into useful work. The next step is to introduce residual entropy S0 as a function of the number of molecules N and the number of distinct orientations available to them in a crystal m: S0 = N kB ln m, where kB is the Boltzmann constant. Residual entropy quantifies the uncertainty in molecular orientation. Residual entropy, unlike thermal entropy, is independent of temperature and remains present at absolute zero. The third step is to show that thermal entropy and residual entropy add up to the total entropy of a thermodynamic system S: S = S0 + STM. This method of explanation should result in a better comprehension of residual entropy and thermal entropy, as well as of their similarities and differences. The new method was tested in teaching at Faculty of Chemistry University of Belgrade, Serbia. The results of the test show that the new method has a potential to improve the quality of teaching.

  13. Characteristics explaining performance in downhill mountain biking.

    Science.gov (United States)

    Chidley, Joel B; MacGregor, Alexandra L; Martin, Caoimhe; Arthur, Calum A; Macdonald, Jamie H

    2015-03-01

    To identify physiological, psychological, and skill characteristics that explain performance in downhill (DH) mountain-bike racing. Four studies were used to (1) identify factors potentially contributing to DH performance (using an expert focus group), (2) develop and validate a measure of rider skill (using video analysis and expert judge evaluation), (3) evaluate whether physiological, psychological, and skill variables contribute to performance at a DH competition, and (4) test the specific contribution of aerobic capacity to DH performance. STUDY 1 identified aerobic capacity, handgrip endurance, anaerobic power, rider skill, and self-confidence as potentially important for DH. In study 2 the rider-skill measure displayed good interrater reliability. Study 3 found that rider skill and handgrip endurance were significantly related to DH ride time (β=-0.76 and -0.14, respectively; R2=.73), with exploratory analyses suggesting that DH ride time may also be influenced by self-confidence and aerobic capacity. Study 4 confirmed aerobic capacity as an important variable influencing DH performance (for a DH ride, mean oxygen uptake was 49±5 mL·kg(-1)·min(-1), and 90% of the ride was completed above the 1st ventilatory threshold). In order of importance, rider skill, handgrip endurance, self-confidence, and aerobic capacity were identified as variables influencing DH performance. Practically, this study provides a novel assessment of rider skill that could be used by coaches to monitor training and identify talent. Novel intervention targets to enhance DH performance were also identified, including self-confidence and aerobic capacity.

  14. Explaining the gender gap in sickness absence.

    Science.gov (United States)

    Østby, K A; Mykletun, A; Nilsen, W

    2018-04-17

    In many western countries, women have a much higher rate of sickness absence than men. To what degree the gender differences in sickness absence are caused by gender differences in health is largely unknown. To assess to what degree the gender gap in sickness absence can be explained by health factors and work- and family-related stressors. Norwegian parents participating in the Tracking Opportunities and Problems (TOPP) study were asked about sickness absence and a range of factors possibly contributing to gender differences in sickness absence, including somatic and mental health, sleep problems, job control/demands, work-home conflicts, parent-child conflicts and stressful life events. Using a cross-sectional design, we did linear regression analyses, to assess the relative contribution from health and stressors. There were 557 study participants. Adjusting for health factors reduced the gender difference in sickness absence by 24%, while adjusting for stressors in the family and at work reduced the difference by 22%. A simultaneous adjustment for health factors and stressors reduced the difference in sickness absence by about 28%. Despite adjusting for a large number of factors, including both previously well-studied factors (e.g. health, job control/demands) and lesser-studied factors (parent-child conflict and sexual assault), this study found that most of the gender gap in sickness absence remains unexplained. Gender differences in health and stressors account for only part of the differences in sickness absence. Other factors must, therefore, exist outside the domains of health, work and family stressors.

  15. Explaining G20 and BRICS Compliance

    Directory of Open Access Journals (Sweden)

    Marina Larionova

    2016-11-01

    Full Text Available This article explores the internal and external factors influencing the compliance performance of the Group of 20 (G20 and the BRICS. The authors start with an overview of the G20 and BRICS compliance patterns using comparative data onthe number of commitments made by the two institutions, the level of institutional compliance, and distribution of commitments and compliance across issue areas. G20 compliance is traced since the leaders’ first 2008 summit in Washington. The BRICS compliance performance record includes data since the third stand alone summit in Sanya in 2011.The study then takes stock of compliance catalysts embedded in the summits’ discourse: priority placements, numerical targets, timelines, self-accountability pledges and mandates to implement and/or monitor implementation. The authors review trends in the use of catalysts in different years and issue areas and identify commonalities and differences.The analysis then turns to external causes of compliance and focuses on demand for collective actions and members’ collective power to respond and deliver on their pledges. Here the study explores whether the self-accountability mechanisms created by the institutions in response to the demand for effectiveness and legitimacy facilitate compliance.The article concludes by highlighting catalysts, causes of compliance and their combinations with the greatest power to encourage implementation, explaining trends in G20 and BRICS compliance performance. The data sets on G20 and BRICS differ in terms of scale. The G20 data set contains 1,511 commitments of which 114 have been monitored, and the BRICS data set contains 231 commitments of which 23 have been monitored.

  16. Revisiting the bulge-halo conspiracy - II. Towards explaining its puzzling dependence on redshift

    Science.gov (United States)

    Shankar, Francesco; Sonnenfeld, Alessandro; Grylls, Philip; Zanisi, Lorenzo; Nipoti, Carlo; Chae, Kyu-Hyun; Bernardi, Mariangela; Petrillo, Carlo Enrico; Huertas-Company, Marc; Mamon, Gary A.; Buchan, Stewart

    2018-04-01

    We carry out a systematic investigation of the total mass density profile of massive (log Mstar/M⊙ ˜ 11.5) early-type galaxies and its dependence on redshift, specifically in the range 0 ≲ z ≲ 1. We start from a large sample of Sloan Digital Sky Survey early-type galaxies with stellar masses and effective radii measured assuming two different profiles, de Vaucouleurs and Sérsic. We assign dark matter haloes to galaxies via abundance matching relations with standard ΛCDM profiles and concentrations. We then compute the total, mass-weighted density slope at the effective radius γ΄, and study its redshift dependence at fixed stellar mass. We find that a necessary condition to induce an increasingly flatter γ΄ at higher redshifts, as suggested by current strong lensing data, is to allow the intrinsic stellar profile of massive galaxies to be Sérsic and the input Sérsic index n to vary with redshift as n(z) ∝ (1 + z)δ, with δ ≲ -1. This conclusion holds irrespective of the input Mstar-Mhalo relation, the assumed stellar initial mass function (IMF), or even the chosen level of adiabatic contraction in the model. Secondary contributors to the observed redshift evolution of γ΄ may come from an increased contribution at higher redshifts of adiabatic contraction and/or bottom-light stellar IMFs. The strong lensing selection effects we have simulated seem not to contribute to this effect. A steadily increasing Sérsic index with cosmic time is supported by independent observations, though it is not yet clear whether cosmological hierarchical models (e.g. mergers) are capable of reproducing such a fast and sharp evolution.

  17. PWR core design calculations

    International Nuclear Information System (INIS)

    Trkov, A.; Ravnik, M.; Zeleznik, N.

    1992-01-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [sl

  18. Uneconomical top calculation method

    International Nuclear Information System (INIS)

    De Noord, M.; Vanm Sambeek, E.J.W.

    2003-08-01

    The methodology used to calculate the financial gap of renewable electricity sources and technologies is described. This methodology is used for calculating the production subsidy levels (MEP subsidies) for new renewable electricity projects in 2004 and 2005 in the Netherlands [nl

  19. EEG II. Annexes and regulations. Comment; EEG II. Anlagen und Verordnungen. Kommentar

    Energy Technology Data Exchange (ETDEWEB)

    Frenz, Walter (ed.) [Rheinisch-Westfaelische Technische Hochschule Aachen (Germany). Berg-, Umwelt- und Europarecht

    2016-11-01

    Berlin commentary EEG II: safe through the paraphernalia Like hardly any other law, the Renewable Energies Act (EEG) is subject to constant changes. With the 2014 amendment, the EEG was fundamentally redesigned. This makes the application of the complex rules a challenge even for experts. In addition, the sub-rules contain important statements in the form of numerous annexes and regulations - with the EEG amendment 2014, this has become even more detailed. In it, many calculations are only defined in detail and the legal provisions of the EEG are made more definite and supplemented. The Berlin commentary EEG II accompanies you expertly through this complex matter. Experts explain the widely divergent rules in practice. If necessary for a better understanding, the provisions of the EEG 2014 are also explained. Consistently designed for your practice As a buyer of the work, you also benefit from access to an extensive, regularly updated database. This contains important legal energy regulations of the EU, the federal government and the countries. Even earlier legal positions remain searchable and can be conveniently compared with current versions. So you can see at a glance what has changed. [German] Berliner Kommentar EEG II: sicher durch den Paragrafengeflecht Wie kaum ein anderes Gesetz ist das Erneuerbare-Energien-Gesetz (EEG) staendigen Aenderungen unterworfen. Mit der Novelle 2014 wurde das EEG grundlegend umgestaltet. Dies macht die Anwendung der komplexen Regeln selbst fuer Experten zu einer Herausforderung. Zudem enthaelt auch das untergesetzliche Regelwerk wichtige Aussagen in Form zahlreicher Anlagen und Verordnungen - mit der EEG-Novelle 2014 ist dieses noch ausfuehrlicher geworden. In ihm werden viele Berechnungen erst naeher festgelegt und gesetzliche Bestimmungen des EEG entscheidend konkretisiert und ergaenzt. Der Berliner Kommentar EEG II begleitet Sie fachkundig durch diese komplexe Materie. Experten erlaeutern Ihnen praxisorientiert die

  20. Dose calculation for electrons

    International Nuclear Information System (INIS)

    Hirayama, Hideo

    1995-01-01

    The joint working group of ICRP/ICRU is advancing the works of reviewing the ICRP publication 51 by investigating the data related to radiation protection. In order to introduce the 1990 recommendation, it has been demanded to carry out calculation for neutrons, photons and electrons. As for electrons, EURADOS WG4 (Numerical Dosimetry) rearranged the data to be calculated at the meeting held in PTB Braunschweig in June, 1992, and the question and request were presented by Dr. J.L. Chartier, the responsible person, to the researchers who are likely to undertake electron transport Monte Carlo calculation. The author also has carried out the requested calculation as it was the good chance to do the mutual comparison among various computation codes regarding electron transport calculation. The content that the WG requested to calculate was the absorbed dose at depth d mm when parallel electron beam enters at angle α into flat plate phantoms of PMMA, water and ICRU4-element tissue, which were placed in vacuum. The calculation was carried out by the versatile electron-photon shower computation Monte Carlo code, EGS4. As the results, depth dose curves and the dependence of absorbed dose on electron energy, incident angle and material are reported. The subjects to be investigated are pointed out. (K.I.)

  1. Small Diameter Bomb Increment II (SDB II)

    Science.gov (United States)

    2015-12-01

    Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-439 Small Diameter Bomb Increment II (SDB II) As of FY 2017 President’s Budget Defense... Bomb Increment II (SDB II) DoD Component Air Force Joint Participants Department of the Navy Responsible Office References SAR Baseline (Production...Mission and Description Small Diameter Bomb Increment II (SDB II) is a joint interest United States Air Force (USAF) and Department of the Navy

  2. Large scale GW calculations

    International Nuclear Information System (INIS)

    Govoni, Marco; Argonne National Lab., Argonne, IL; Galli, Giulia; Argonne National Lab., Argonne, IL

    2015-01-01

    We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm, which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. The newly developed technique was applied to GW calculations of systems of unprecedented size, including water/semiconductor interfaces with thousands of electrons

  3. Radioactive cloud dose calculations

    International Nuclear Information System (INIS)

    Healy, J.W.

    1984-01-01

    Radiological dosage principles, as well as methods for calculating external and internal dose rates, following dispersion and deposition of radioactive materials in the atmosphere are described. Emphasis has been placed on analytical solutions that are appropriate for hand calculations. In addition, the methods for calculating dose rates from ingestion are discussed. A brief description of several computer programs are included for information on radionuclides. There has been no attempt to be comprehensive, and only a sampling of programs has been selected to illustrate the variety available

  4. Temperature calculation in fire safety engineering

    CERN Document Server

    Wickström, Ulf

    2016-01-01

    This book provides a consistent scientific background to engineering calculation methods applicable to analyses of materials reaction-to-fire, as well as fire resistance of structures. Several new and unique formulas and diagrams which facilitate calculations are presented. It focuses on problems involving high temperature conditions and, in particular, defines boundary conditions in a suitable way for calculations. A large portion of the book is devoted to boundary conditions and measurements of thermal exposure by radiation and convection. The concepts and theories of adiabatic surface temperature and measurements of temperature with plate thermometers are thoroughly explained. Also presented is a renewed method for modeling compartment fires, with the resulting simple and accurate prediction tools for both pre- and post-flashover fires. The final chapters deal with temperature calculations in steel, concrete and timber structures exposed to standard time-temperature fire curves. Useful temperature calculat...

  5. Gasdynamics of H II regions. V. The interaction of weak R ionization fronts with dense clouds

    Energy Technology Data Exchange (ETDEWEB)

    Tenorio-Tagle, G; Bedijn, P J

    1981-06-01

    The interaction of weak R-type ionization fronts with a density enhancement is calculated numerically as a function of time within the framework of the champagne model of the evolution of H II regions. Calculations are performed under the assumption of plane-parallel geometry for various relative densities of the cloud in which the exciting star is formed and a second cloud with which an ionization front from the first cloud interacts. The supersonic ionization front representing the outer boundary of an H II region experiencing the champagne phase is found to either evolve into a D-type front or remain of type R, depending on the absolute number of photons leaving the H II region that undergoes the champagne phase. Recombinations in the ionized gas eventually slow the ionization front, however photon fluxes allow it to speed up again, resulting in oscillatory propagation of the front. Front-cloud interactions are also shown to lead to the development of a backward-facing shock, a forward-facing shock, and a density maximum in the ionized gas. The results can be used to explain the origin of bright rims in H II regions.

  6. Reactor physics calculations in the Nordic countries

    International Nuclear Information System (INIS)

    Hoeglund, R.

    1995-01-01

    The seventh biennial meeting on reactor physics calculations in the Nordic countries was arranged by VTT Energy on May 8-9, 1995. 26 papers on different subjects in the field of reactor physics were presented by 45 participants representing research establishments, technical universities, utilities, consultants and suppliers. Resent development and verification of the program systems of ABB Atom, Risoe, Scandpower, Studsvik and VTT Energy were the main topic of the meeting. Benchmarking of the two assembly codes CASMO-4 and HELIOS is proceeding. Cross section data calculated with CASMO-HEX have been validated for the Loviisa reactors. On core analysis ABB atom gives a description on its latest core simulator version POLCA7 with the calculation Core Master 2 and the BWR core supervision system Core Watch. Transient calculations with HEXTRAN, HEXTRAN- PLIM, TRAB, RAMONA, SIMULATE-3K and a code based on PRESTO II/POLCA7 were also presented

  7. Handout on shielding calculation

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.

    1991-01-01

    In order to avoid the difficulties of the radioprotection supervisors in the tasks related to shielding calculations, is presented in this paper the basic concepts of shielding theory. It also includes exercises and examples. (author)

  8. Unit Cost Compendium Calculations

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...

  9. PHYSICOCHEMICAL PROPERTY CALCULATIONS

    Science.gov (United States)

    Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...

  10. Magnetic Field Grid Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...

  11. Intercavitary implants dosage calculation

    International Nuclear Information System (INIS)

    Rehder, B.P.

    The use of spacial geometry peculiar to each treatment for the attainment of intercavitary and intersticial implants dosage calculation is presented. The study is made in patients with intercavitary implants by applying a modified Manchester technique [pt

  12. Casio Graphical Calculator Project.

    Science.gov (United States)

    Stott, Nick

    2001-01-01

    Shares experiences of a project aimed at developing and refining programs written on a Casio FX9750G graphing calculator. Describes in detail some programs used to develop mental strategies and problem solving skills. (MM)

  13. Small portable speed calculator

    Science.gov (United States)

    Burch, J. L.; Billions, J. C.

    1973-01-01

    Calculator is adapted stopwatch calibrated for fast accurate measurement of speeds. Single assembled unit is rugged, self-contained, and relatively inexpensive to manufacture. Potential market includes automobile-speed enforcement, railroads, and field-test facilities.

  14. Calculativeness and trust

    DEFF Research Database (Denmark)

    Frederiksen, Morten

    2014-01-01

    Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...

  15. Activities for Calculators.

    Science.gov (United States)

    Hiatt, Arthur A.

    1987-01-01

    Ten activities that give learners in grades 5-8 a chance to explore mathematics with calculators are provided. The activity cards involve such topics as odd addends, magic squares, strange projects, and conjecturing rules. (MNS)

  16. IRIS core criticality calculations

    International Nuclear Information System (INIS)

    Jecmenica, R.; Trontl, K.; Pevec, D.; Grgic, D.

    2003-01-01

    Three-dimensional Monte Carlo computer code KENO-VI of CSAS26 sequence of SCALE-4.4 code system was applied for pin-by-pin calculations of the effective multiplication factor for the first cycle IRIS reactor core. The effective multiplication factors obtained by the above mentioned Monte Carlo calculations using 27-group ENDF/B-IV library and 238-group ENDF/B-V library have been compared with the effective multiplication factors achieved by HELIOS/NESTLE, CASMO/SIMULATE, and modified CORD-2 nodal calculations. The results of Monte Carlo calculations are found to be in good agreement with the results obtained by the nodal codes. The discrepancies in effective multiplication factor are typically within 1%. (author)

  17. Current interruption transients calculation

    CERN Document Server

    Peelo, David F

    2014-01-01

    Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,

  18. Source and replica calculations

    International Nuclear Information System (INIS)

    Whalen, P.P.

    1994-01-01

    The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem

  19. Shielding calculations using FLUKA

    International Nuclear Information System (INIS)

    Yamaguchi, Chiri; Tesch, K.; Dinter, H.

    1988-06-01

    The dose equivalent on the surface of concrete shielding has been calculated using the Monte Carlo code FLUKA86 for incident proton energies from 10 to 800 GeV. The results have been compared with some simple equations. The value of the angular dependent parameter in Moyer's equation has been calculated from the locations where the values of the maximum dose equivalent occur. (author)

  20. O cálculo do poder das lentes intra-oculares e o Orbscan-II. Parte 1: O poder óptico da córnea normal Power calculation of intraocular lenses and the Orbscan-II. Part 1: The power of the normal cornea

    Directory of Open Access Journals (Sweden)

    Érika C. Canarim de Oliveira

    2003-10-01

    .3868. Anterior-mean power was about 7.5 greater than posterior-mean power. CONCLUSIONS: The real power of the cornea calculated using both surfaces, its thickness, and the physiologic refraction indices is smaller (less positive than the power usually accepted and determined by the anterior corneal surface radius and the keratometric index of refraction (F

  1. Commissioning experience from PEP-II HER longitudinal feedback

    International Nuclear Information System (INIS)

    Prabhakar, S.; Teytelman, D.; Fox, J.; Young, A.; Corredoura, P.; Tighe, R.

    1998-06-01

    The DSP-based bunch-by-bunch feedback system installed in the PEP-II HER has been used to damp HOM-induced instabilities at beam currents up to 6-5 mA during commissioning. Beam pseudospectra calcualted from feedback system data indicate the presence of coupled bunch modes that oincide with the 0-M-2 cavity HOM. Bunch current and synchronous phase measurements are also extracted from the data. These measurements reveal the impedance seen by the beam at revolution harmonics. The impedance peak at 3*frev indicates incorrect parking of the idle cavities, and explains the observed instability of mode 3. Bunch synchrotron tunes are calculated from lorentzian fits to the data. Bunch-to-bunch time variation due to the cavity transient is shown to be large enough to result in Landau damping of coupled bunch modes

  2. Dynamical Simulation of Recycling and Particle Fueling in TJ-II Plasmas

    International Nuclear Information System (INIS)

    Lopez-Bruna, D.; Ferreira, J. A.; Tabares, F. L.; Castejon, F.; Guasp, J.

    2007-01-01

    With the aim of improving the calculation tools for transport analysis in TJ-II plasmas, in this work we analyze the simplified model for a kinetic equation that ASTRA uses to calculate the neutral particle distribution in the plasma. Next, we act on the boundary conditions for this kinetic equation (particularly on the neutral density in the plasma boundary) so we can simulate the recycling conditions for the TJ-II in a simple way. With the resulting transport models we can easily analyze the sensibility of these plasmas to the cold gas puffing depending on the recycling conditions. These transport models evidence the problem of density control in the TJ-II. Likewise, we estimate the importance of recycling in the plasmas heated by energetic neutral beam injection. The experimentally observed increments in density when the energetic neutrals are injected would respond, according to the calculations here presented, to a large increment of the neutrals influx that cannot be explained by the beam itself. (Author) 22 refs

  3. Be I and Be II spectroscopy in divertor plasma relevant conditions

    Science.gov (United States)

    Nishijima, D.; Doerner, R. P.; Seraydarian, R. P.

    2013-07-01

    Intensity ratios of various Be I and Be II lines measured in Be-seeded D and He plasmas in the PISCES-B linear divertor plasma simulator are compared with the corresponding ratios of the photon emissivity coefficient, PEC, calculated by ADAS. Agreement of measured intensity ratios with calculated PEC ratios is satisfactory within a factor of ˜2 for both Be I and Be II. It is proposed that a Be I line ratio of 234.8 nm/265.0 nm and a Be II line ratio of 467.3 nm/313.1 nm can be used to estimate the electron temperature, while a 265.0 nm/332.1 nm Be I line ratio is sensitive to the electron density. Further, S/XB values of a Be I line at 457.3 nm were experimentally determined from a ratio of the sputtered Be flux to the emission intensity. Measured values are systematically lower than calculated ADAS values, which may be explained by the increased sputtering yield of redeposited Be atoms.

  4. Be I and Be II spectroscopy in divertor plasma relevant conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nishijima, D., E-mail: dnishijima@ferp.ucsd.edu [Center for Energy Research, University of California at San Diego, 9500 Gilman Dr., La Jolla, CA 92093-0417 (United States); Doerner, R.P.; Seraydarian, R.P. [Center for Energy Research, University of California at San Diego, 9500 Gilman Dr., La Jolla, CA 92093-0417 (United States)

    2013-07-15

    Intensity ratios of various Be I and Be II lines measured in Be-seeded D and He plasmas in the PISCES-B linear divertor plasma simulator are compared with the corresponding ratios of the photon emissivity coefficient, PEC, calculated by ADAS. Agreement of measured intensity ratios with calculated PEC ratios is satisfactory within a factor of ∼2 for both Be I and Be II. It is proposed that a Be I line ratio of 234.8 nm/265.0 nm and a Be II line ratio of 467.3 nm/313.1 nm can be used to estimate the electron temperature, while a 265.0 nm/332.1 nm Be I line ratio is sensitive to the electron density. Further, S/XB values of a Be I line at 457.3 nm were experimentally determined from a ratio of the sputtered Be flux to the emission intensity. Measured values are systematically lower than calculated ADAS values, which may be explained by the increased sputtering yield of redeposited Be atoms.

  5. Physicochemical properties of 3,4,5-trimethoxybenzoates of Mn(II, Co(II, Ni(II and Zn(II

    Directory of Open Access Journals (Sweden)

    W. FERENC

    2005-09-01

    Full Text Available The complexes of Mn(II, Co(II, Ni(II, Cu(II and Zn(II with 3,4,5-trimethoxybenzoic acid anion of the formula: M(C10H11O52·nH2O, where n = 6 for Ni(II, n = 1 for Mn(II, Co(II, Cu(II, and n = 0 for Zn, have been synthesized and characterized by elemental analysis, IR spectroscopy, X–ray diffraction measurements, thermogravimetry and magnetic studies. They are crystalline compounds characterized by various symmetry. They decompose in various ways when heated in air to 1273 K. At first, they dehydrate in one step and form anhydrous salts. The final products of decomposition are oxides of the respective metals (Mn2O3, Co3O4, NiO, CuO, ZnO. The solubilities of the analysed complexes in water at 293 K are in the orders of 10-2 – 10-4 mol dm-3. The magnetic susceptibilities of the Mn(II, Co(II, Ni(II and Cu(II complexes were measured over the range of 76–303 K and the magnetic moments were calculated. The results show that the 3,4,5-trimethoxybenzoates of Mn(II, Co(II and Ni(II are high-spin complexes but that of Cu(II forms a dimer [Cu2(C10H11O54(H2O2]. The carboxylate groups bind as monodentate or bidentate chelating or bridging ligands.

  6. A Bullet-Block Experiment that Explains the Chain Fountain

    Science.gov (United States)

    Pantaleone, J.; Smith, R.

    2018-05-01

    It is common in science for two phenomena to appear to be very different, but in fact follow from the same basic principles. Here we consider such a case, the connection between the chain fountain and a bullet-block collision experiment. When an upward moving bullet strikes a wooden block resting on a horizontal table, the block will rise to a higher height when the bullet strikes near the end of the block. This is because the quickly rotating block experiences an additional upward "reaction" force from its contact with the table. Such a reaction force also explains the chain fountain. When a chain falls from a pile in a container to the floor below, the chain rises up above the container. This rise occurs because the quickly rotating links in the container push off of the surface beneath them. We derive a model that accurately describes our measurements in the bullet-block experiment, and then use this same model to calculate an approximate expression for the distance the chain rises above the container. More extensive discussions of the chain fountain are available elsewhere.

  7. Major Gravitational Phenomena Explained by the Micro-Quanta Paradigm

    Directory of Open Access Journals (Sweden)

    Michelini M.

    2010-01-01

    Full Text Available Some major problems of physics, which remained unsolved within classical and rel- ativistic gravitation theories, are explained adopting the quantum gravity interaction descending from the micro-quanta paradigm. The energy source of the gravitational power P g r , which heats and contracts the Bok’s gas globules harbouring the future stars, is identified and defined as well as the gravitational power generated on the solid / fluid planets. Calculations are carried out to make the comparison between P g r predicted for the solar giant planets and the measured infrared radiation power P int coming from the interior. The case of planets with solid crust (Earth, etc. requires a particular attention due to the threat to stability produced by the thermal dilatation. An analysis is done of the Earth’s planetary equilibrium which may be attained eliminating the temperature rise through the migration of hot internal magma across the crust fractured by earth- quakes. The temperatures observed up to 420,000 years ago in Antartica through Vostok and Epica ice cores suggest the possibility that the Earth gravitational power P g r may be radiated in space through these temperature cycles (Glacial Eras. In this general frame the Earth’s high seismicity and the dynamics of Plate tectonics may find their origin.

  8. Major Gravitational Phenomena Explained by the Micro-Quanta Paradigm

    Directory of Open Access Journals (Sweden)

    Michelini M.

    2010-01-01

    Full Text Available Some major problems of physics, which remained unsolved within classical and relativistic gravitation theories, are explained adopting the quantum gravity interaction descending from the micro-quanta paradigm. The energy source of the gravitational power $P_{gr}$, which heats and contracts the Bok's gas globules harbouring the future stars, is identified and defined as well as the gravitational power generated on the solid/fluid planets. Calculations are carried out to make the comparison between $P_{gr}$ predicted for the solar giant planets and the measured infrared radiation power $P_{int}$ coming from the interior. The case of planets with solid crust (Earth, etc. requires a particular attention due to the threat to stability produced by the thermal dilatation. An analysis is done of the Earth's planetary equilibrium which may be attained eliminating the temperature rise through the migration of hot internal magma across the crust fractured by earthquakes. The temperatures observed up to 420,000 years ago in Antartica through Vostok and Epica ice cores suggest the possibility that the Earth gravitational power $P_{gr}$ may be radiated in space through these temperature cycles (Glacial Eras. In this general frame the Earth's high seismicity and the dynamics of Plate tectonics may find their origin.

  9. Can modified gravity from extra dimensions explain dark matter effects?

    International Nuclear Information System (INIS)

    Kar, S.; Bharadwaj, S.; Pal, S.

    2006-01-01

    Observations on galaxy rotation curves and X-ray profiles of galaxy clusters over several decades have shown us that there exists a need for non-luminous (dark) matter. Cosmological observations also point towards the existence of dark components of two kinds - dark matter and dark energy - which, together, seem to be most of what is there the universe. However, for several years, there has been a line of thought which proposes modified gravity as an alternative to dark matter. In this article, we show, how the effective Einstein equations which arise in the context of the currently fashionable warped braneworld models, can explain the effects of dark matter as a manifestation of the consequences of the existence of extra dimensions. Finally, in order to distinguish between the effects of material dark matter and modified gravity, we calculate gravitational lensing in our modified gravity theory and show distinct differences in the deflection angles. If confirmed with observations, our results may shed new light on the existence of extra dimensions and dark matter. (authors)

  10. Uncertainty calculations made easier

    International Nuclear Information System (INIS)

    Hogenbirk, A.

    1994-07-01

    The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL)

  11. Do you get it? User-evaluated explainable BDI agents

    NARCIS (Netherlands)

    Broekens, J.; Harbers, M.; Hindriks, K.; Bosch, K. van den; Jonker, C.; Meyer, J.J.C.

    2010-01-01

    In this paper we focus on explaining to humans the behavior of autonomous agents, i.e., explainable agents. Explainable agents are useful for many reasons including scenario-based training (e.g. disaster training), tutor and pedagogical systems, agent development and debugging, gaming, and

  12. 42 CFR 403.253 - Calculation of benefits.

    Science.gov (United States)

    2010-10-01

    ... the gross premiums are computed to provide coverage. (iv) Reserve for future contingent benefits means... the loss ratio calculation period. (iii) Net premium means the level portion of the gross premium used... period, to— (B) The total policy reserve at the last day of the loss ratio calculation period: and (ii...

  13. Copper(II) Binding Sites in N-Terminally Acetylated α-Synuclein: A Theoretical Rationalization.

    Science.gov (United States)

    Ramis, Rafael; Ortega-Castro, Joaquín; Vilanova, Bartolomé; Adrover, Miquel; Frau, Juan

    2017-08-03

    The interactions between N-terminally acetylated α-synuclein and Cu(II) at several binding sites have been studied with DFT calculations, specifically with the M06 hybrid functional and the ωB97X-D DFT-D functional. In previous experimental studies, Cu(II) was shown to bind several α-synuclein residues, including Met1-Asp2 and His50, forming square planar coordination complexes. Also, it was determined that a low-affinity binding site exists in the C-terminal domain, centered on Asp121. However, in the N-terminally acetylated protein, present in vivo, the Met1 site is blocked. In this work, we simplify the representation of the protein by modeling each experimentally found binding site as a complex between an N-terminally acetylated α-synuclein dipeptide (or several independent residues) and a Cu(II) cation, and compare the results with a number of additional, structurally analogous sites not experimentally found. This way of representing the binding sites, although extremely simple, allows us to reproduce experimental results and to provide a theoretical rationale to explain the preference of Cu(II) for certain sites, as well as explicit geometrical structures for the complexes formed. These results are important to understand the interactions between α-synuclein and Cu(II), one of the factors inducing structural changes in the protein and leading to aggregated forms of it which may play a role in neurodegeneration.

  14. Online plasma calculator

    Science.gov (United States)

    Wisniewski, H.; Gourdain, P.-A.

    2017-10-01

    APOLLO is an online, Linux based plasma calculator. Users can input variables that correspond to their specific plasma, such as ion and electron densities, temperatures, and external magnetic fields. The system is based on a webserver where a FastCGI protocol computes key plasma parameters including frequencies, lengths, velocities, and dimensionless numbers. FastCGI was chosen to overcome security problems caused by JAVA-based plugins. The FastCGI also speeds up calculations over PHP based systems. APOLLO is built upon the WT library, which turns any web browser into a versatile, fast graphic user interface. All values with units are expressed in SI units except temperature, which is in electron-volts. SI units were chosen over cgs units because of the gradual shift to using SI units within the plasma community. APOLLO is intended to be a fast calculator that also provides the user with the proper equations used to calculate the plasma parameters. This system is intended to be used by undergraduates taking plasma courses as well as graduate students and researchers who need a quick reference calculation.

  15. Tomo II

    OpenAIRE

    Llano Zapata, José Eusebio

    2015-01-01

    Memorias, histórico, físicas, crítico, apologéticas de la América Meridional con unas breves advertencias y noticias útiles, a los que de orden de Su Majestad hubiesen de viajar y describir aquellas vastas regiones. Reino Vegetal, Tomo II. Por un anónimo americano en Cádiz por los años de 1757. Muy Señor mío, juzgo que los 20 artículos del libro que remití a Vuestra Merced le habrán hecho formar el concepto que merece la fecundidad de aquellos países en las producciones minerales. Y siendo es...

  16. Output voltage calculations in double barrier magnetic tunnel junctions with asymmetric voltage behavior

    KAUST Repository

    Useinov, Arthur

    2011-10-22

    In this paper we study the asymmetric voltage behavior (AVB) of the tunnel magnetoresistance (TMR) for single and double barrier magnetic tunnel junctions (MTJs) in range of a quasi-classical free electron model. Numerical calculations of the TMR-V curves, output voltages and I-V characteristics for negative and positive values of applied voltages were carried out using MTJs with CoFeB/MgO interfaces as an example. Asymmetry of the experimental TMR-V curves is explained by different values of the minority and majority Fermi wave vectors for the left and right sides of the tunnel barrier, which arises due to different annealing regimes. Electron tunneling in DMTJs was simulated in two ways: (i) Coherent tunneling, where the DMTJ is modeled as one tunnel system and (ii) consecutive tunneling, where the DMTJ is modeled by two single barrier junctions connected in series. © 2012 Elsevier B.V. All rights reserved.

  17. Daylight calculations in practice

    DEFF Research Database (Denmark)

    Iversen, Anne; Roy, Nicolas; Hvass, Mette

    The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Experience has shown that results for the same room, obtained from two daylight simulation...... programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities....... The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Furthermore the aim was to provide knowledge of how to build up the 3D models that were...

  18. Calculating Quenching Weights

    CERN Document Server

    Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

    2003-01-01

    We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

  19. Three recent TDHF calculations

    International Nuclear Information System (INIS)

    Weiss, M.S.

    1981-05-01

    Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision 40 Ca nucleus is examined and found to contain many high energy components, qualitatively consistent with recent Orsay experiments. Second, the fusion cross section in energy and angular momentum are calculated for 16 O + 24 Mg to exhibit the parameters of the low l window for this system. A sensitivity of the fusion cross section to the effective two body potential is discussed. Last, a preliminary analysis of 86 Kr + 139 La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed

  20. Fission neutron multiplicity calculations

    International Nuclear Information System (INIS)

    Maerten, H.; Ruben, A.; Seeliger, D.

    1991-01-01

    A model for calculating neutron multiplicities in nuclear fission is presented. It is based on the solution of the energy partition problem as function of mass asymmetry within a phenomenological approach including temperature-dependent microscopic energies. Nuclear structure effects on fragment de-excitation, which influence neutron multiplicities, are discussed. Temperature effects on microscopic energy play an important role in induced fission reactions. Calculated results are presented for various fission reactions induced by neutrons. Data cover the incident energy range 0-20 MeV, i.e. multiple chance fission is considered. (author). 28 refs, 13 figs

  1. Lattice cell burnup calculation

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.

    1977-01-01

    Accurate burnup prediction is a key item for design and operation of a power reactor. It should supply information on isotopic changes at each point in the reactor core and the consequences of these changes on the reactivity, power distribution, kinetic characters, control rod patterns, fuel cycles and operating strategy. A basic stage in the burnup prediction is the lattice cell burnup calculation. This series of lectures attempts to give a review of the general principles and calculational methods developed and applied in this area of burnup physics

  2. PWR core design calculations

    Energy Technology Data Exchange (ETDEWEB)

    Trkov, A; Ravnik, M; Zeleznik, N [Inst. Jozef Stefan, Ljubljana (Slovenia)

    1992-07-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [Slovenian] Opisali smo programski paket CORD-2, ki se uporablja pri projektnih izracunih sredice pri upravljanju tlacnovodnega reaktorja. Prikazana je uporaba paketa in racunskih postopkov za tipicne probleme, ki nastopajo pri projektiranju sredice. Primerjava glavnih rezultatov z eksperimentalnimi vrednostmi je predstavljena kot del preveritvenega procesa. (author)

  3. Preeminence and prerequisites of sample size calculations in clinical trials

    OpenAIRE

    Richa Singhal; Rakesh Rana

    2015-01-01

    The key components while planning a clinical study are the study design, study duration, and sample size. These features are an integral part of planning a clinical trial efficiently, ethically, and cost-effectively. This article describes some of the prerequisites for sample size calculation. It also explains that sample size calculation is different for different study designs. The article in detail describes the sample size calculation for a randomized controlled trial when the primary out...

  4. Overview of TJ-II experiments

    International Nuclear Information System (INIS)

    Alejaldre, C.; Alonso, J.; Almoguera, L.

    2005-01-01

    This paper presents an overview of experimental results and progress made in investigating the role of magnetic configuration on stability and transport in the TJ-II stellarator. Global confinement studies have revealed a positive dependence of energy confinement on the rotational transform and plasma density, together with different parametric dependences for metallic and boronised wall conditions. Spontaneous and biasing-induced improved confinement transitions, with some characteristics that resemble those of previously reported H-mode regimes in other stellarator devices, have been observed. Also, magnetic configuration scan experiments have shown an interplay between magnetic structure (rationals, magnetic shear), transport and electric fields. Although the DC radial electric fields are comparable with those expected from neoclassical calculations, additional mechanisms based on neoclassical/turbulent bifurcations and kinetic effects are needed to explain the impact of magnetic topology on flows and radial electric fields. Local transport studies have demonstrated a dependence of plasma diffusivities and convective velocities on plasma density and heating power in consistency with global confinement properties. Hydrocarbon fuelling experiments in configurations with a low order rational value in the rotational transform located in the proximity of the last close flux surface (n = 4/m = 2) have shown the impurity screening properties related to the expected divertor effect. First experiments in NBI plasmas are reported. (author)

  5. Cardiovascular risk calculation

    African Journals Online (AJOL)

    James A. Ker

    2014-08-20

    Aug 20, 2014 ... smoking and elevated blood sugar levels (diabetes mellitus). These risk ... These are risk charts, e.g. FRS, a non-laboratory-based risk calculation, and ... for hard cardiovascular end-points, such as coronary death, myocardial ...

  6. Cooling tower calculations

    International Nuclear Information System (INIS)

    Simonkova, J.

    1988-01-01

    The problems are summed up of the dynamic calculation of cooling towers with forced and natural air draft. The quantities and relations are given characterizing the simultaneous exchange of momentum, heat and mass in evaporative water cooling by atmospheric air in the packings of cooling towers. The method of solution is clarified in the calculation of evaporation criteria and thermal characteristics of countercurrent and cross current cooling systems. The procedure is demonstrated of the calculation of cooling towers, and correction curves and the effect assessed of the operating mode at constant air number or constant outlet air volume flow on their course in ventilator cooling towers. In cooling towers with the natural air draft the flow unevenness is assessed of water and air relative to its effect on the resulting cooling efficiency of the towers. The calculation is demonstrated of thermal and resistance response curves and cooling curves of hydraulically unevenly loaded towers owing to the water flow rate parameter graded radially by 20% along the cross-section of the packing. Flow rate unevenness of air due to wind impact on the outlet air flow from the tower significantly affects the temperatures of cooled water in natural air draft cooling towers of a design with lower demands on aerodynamics, as early as at wind velocity of 2 m.s -1 as was demonstrated on a concrete example. (author). 11 figs., 10 refs

  7. Hypervelocity impact cratering calculations

    Science.gov (United States)

    Maxwell, D. E.; Moises, H.

    1971-01-01

    A summary is presented of prediction calculations on the mechanisms involved in hypervelocity impact cratering and response of earth media. Considered are: (1) a one-gram lithium-magnesium alloys impacting basalt normally at 6.4 km/sec, and (2) a large terrestrial impact corresponding to that of Sierra Madera.

  8. Languages for structural calculations

    International Nuclear Information System (INIS)

    Thomas, J.B.; Chambon, M.R.

    1988-01-01

    The differences between human and computing languages are recalled. It is argued that they are to some extent structured in antagonistic ways. Languages in structural calculation, in the past, present, and future, are considered. The contribution of artificial intelligence is stressed [fr

  9. Monte Carlo alpha calculation

    Energy Technology Data Exchange (ETDEWEB)

    Brockway, D.; Soran, P.; Whalen, P.

    1985-01-01

    A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.

  10. Reactor dynamics calculations

    International Nuclear Information System (INIS)

    Devooght, J.; Lefvert, T.; Stankiewiez, J.

    1981-01-01

    This chapter deals with the work done in reactor dynamics within the Coordinated Research Program on Transport Theory and Advanced Reactor Calculations by three groups in Belgium, Poland, Sweden and Italy. Discretization methods in diffusion theory, collision probability methods in time-dependent neutron transport and singular perturbation method are represented in this paper

  11. Equilibrium fission model calculations

    International Nuclear Information System (INIS)

    Beckerman, M.; Blann, M.

    1976-01-01

    In order to aid in understanding the systematics of heavy ion fission and fission-like reactions in terms of the target-projectile system, bombarding energy and angular momentum, fission widths are calculated using an angular momentum dependent extension of the Bohr-Wheeler theory and particle emission widths using angular momentum coupling

  12. Two dimensional burn-up calculation of TRIGA core

    International Nuclear Information System (INIS)

    Persic, A.; Ravnik, M.; Slavic, S.

    1996-01-01

    TRIGLAV is a new computer program for burn-up calculation of mixed core of research reactors. The code is based on diffusion model in two dimensions and iterative procedure is applied for its solution. The material data used in the model are calculated with the transport program WIMS. In regard to fission density distribution and energy produced by the reactor the burn-up increment of fuel elements is determined. In this paper the calculation model of diffusion constants and burn-up calculation are described and some results of calculations for TRIGA MARK II reactor are presented. (author)

  13. Optimization of simultaneous electrochemical determination of Cd(II), Pb(II), Cu(II) and Hg(II) at carbon nanotube-modified graphite electrodes.

    Science.gov (United States)

    Pikna, L'ubomír; Heželová, Mária; Kováčová, Zuzana

    2015-01-01

    The health of the environment is worsening every day. Monitoring of potentially toxic elements and remediation of environmental pollution are necessary. Therefore, the research and development of simple, inexpensive, portable and effective sensors is important. Electrochemistry is a useful component of the field of environment monitoring. The present study focuses on evaluating and comparing three types of electrodes (PIGE, PIGE/MWCNT/HNO3 and PIGE/MWCNT/EDTA/HNO3) employed for the simultaneous electrochemical determination of four potentially toxic elements: Cd(II), Pb(II), Cu(II) and Hg(II). Cyclic voltammograms were measured in an acetate buffer. The LOD, LOQ, the standard and relative precisions of the method and a prediction intervals were calculated (according to the technical procedure DIN 32 645) for the three electrodes and for each measured element. The LOD for PIGE/CNT/HNO3 (the electrode with narrowest calculated prediction intervals) was 2.98 × 10(-7) mol L(-1) for Cd(II), 4.83 × 10(-7) mol L(-1) for Pb(II), 3.81 × 10(-7) mol L(-1) for Cu(II), 6.79 × 10(-7) mol L(-1) for Hg(II). One of the benefits of this study was the determination of the amount of Hg(II) in the mixture of other elements.

  14. Course on hybrid calculation

    International Nuclear Information System (INIS)

    Weill, J.; Tellier; Bonnemay; Craigne; Chareton; Di Falco

    1969-02-01

    After a definition of hybrid calculation (combination of analogue and digital calculation) with a distinction between series and parallel hybrid computing, and a description of a hybrid computer structure and of task sharing between computers, this course proposes a description of hybrid hardware used in Saclay and Cadarache computing centres, and of operations performed by these systems. The next part addresses issues related to programming languages and software. The fourth part describes how a problem is organised for its processing on these computers. Methods of hybrid analysis are then addressed: resolution of optimisation problems, of partial differential equations, and of integral equations by means of different methods (gradient, maximum principle, characteristics, functional approximation, time slicing, Monte Carlo, Neumann iteration, Fischer iteration)

  15. Calculation of projected ranges

    International Nuclear Information System (INIS)

    Biersack, J.P.

    1980-09-01

    The concept of multiple scattering is reconsidered for obtaining the directional spreading of ion motion as a function of energy loss. From this the mean projection of each pathlength element of the ion trajectory is derived which - upon summation or integration - leads to the desired mean projected range. In special cases, the calculation can be carried out analytically, otherwise a simple general algorithm is derived which is suitable even for the smallest programmable calculators. Necessary input for the present treatment consists only of generally accessable stopping power and straggling formulas. The procedure does not rely on scattering cross sections, e.g. power potential or f(t 1 sup(/) 2 ) approximations. The present approach lends itself easily to include electronic straggling or to treat composed target materials, or even to account for the so-called time integral. (orig.)

  16. Spallation reactions: calculations

    International Nuclear Information System (INIS)

    Bertini, H.W.

    1975-01-01

    Current methods for calculating spallation reactions over various energy ranges are described and evaluated. Recent semiempirical fits to existing data will probably yield the most accurate predictions for these reactions in general. However, if the products in question have binding energies appreciably different from their isotropic neighbors and if the cross section is approximately 30 mb or larger, then the intranuclear-cascade-evaporation approach is probably better suited. (6 tables, 12 figures, 34 references) (U.S.)

  17. Performance assessment calculational exercises

    International Nuclear Information System (INIS)

    Barnard, R.W.; Dockery, H.A.

    1990-01-01

    The Performance Assessment Calculational Exercises (PACE) are an ongoing effort coordinated by Yucca Mountain Project Office. The objectives of fiscal year 1990 work, termed PACE-90, as outlined in the Department of Energy Performance Assessment (PA) Implementation Plan were to develop PA capabilities among Yucca Mountain Project (YMP) participants by calculating performance of a Yucca Mountain (YM) repository under ''expected'' and also ''disturbed'' conditions, to identify critical elements and processes necessary to assess the performance of YM, and to perform sensitivity studies on key parameters. It was expected that the PACE problems would aid in development of conceptual models and eventual evaluation of site data. The PACE-90 participants calculated transport of a selected set of radionuclides through a portion of Yucca Mountain for a period of 100,000 years. Results include analyses of fluid-flow profiles, development of a source term for radionuclide release, and simulations of contaminant transport in the fluid-flow field. Later work included development of a problem definition for perturbations to the originally modeled conditions and for some parametric sensitivity studies. 3 refs

  18. Reference design for LAMPF II

    International Nuclear Information System (INIS)

    Thiessen, H.A.

    1983-01-01

    A reference design for the 32-GeV LAMPF II proton accelerator is proposed. This design consists of a 30-Hz rapid-cycling synchrotron with a dc stretcher. A superiodicity 5 design with dispersion-free straight sections is suggested for both machines. Beam-dynamics calculations are partially complete and rf requirements are given. Apertures are calculated for 2 x 10 13 protons per pulse (100 μA average current). No significant problems are observed at any time in the cycle in a longitudinal beam-dynamics simulation including space charge

  19. Cd(II), Cu(II)

    African Journals Online (AJOL)

    user

    Depending on the way goethite was pretreated with oxalic acid, affinity for Cd(II) varied ...... Effects and mechanisms of oxalate on Cd(II) adsorption on goethite at different ... precipitation, surfactant mediation, hydrothermal and micro-emulsion.

  20. FRM-II conversion revisited

    International Nuclear Information System (INIS)

    Glaser, A.; Pistner, C.; Liebert, W.

    2000-01-01

    The possibilities for a conversion of the currently constructed research reactor FRM-II has been extensively discussed at various RERTR meetings over the past years. In order to support the ongoing decision-making process in Germany, we prepared computer simulations providing extra information on the scientific usability of the converted reactor based on designs proposed by ANL and TUM. The most important results of these calculations are presented and discussed. Special attention is thereby given to the specific German context. (author)

  1. Cu(II) AND Zn(II)

    African Journals Online (AJOL)

    Preferred Customer

    SYNTHESIS OF 2,2-DIMETHYL-4-PHENYL-[1,3]-DIOXOLANE USING ZEOLITE. ENCAPSULATED Co(II), Cu(II) AND Zn(II) COMPLEXES. B.P. Nethravathi1, K. Rama Krishna Reddy2 and K.N. Mahendra1*. 1Department of Chemistry, Bangalore University, Bangalore-560001, India. 2Department of Chemistry, Government ...

  2. COMPOSITIONS BASED ON PALLADIUM(II AND COPPER(II COMPOUNDS, HALIDE IONS, AND BENTONITE FOR OZONE DECOMPOSITION

    Directory of Open Access Journals (Sweden)

    T. L. Rakitskaya

    2017-05-01

    bromide ion. For Cu(II-KBr/N-Bent composition, kinetic and calculation data show that, in the presence of bromide ions, copper(II inhibits the ozone decomposition. For Pd(II-KBr/NBent composition, it has been found that the maximum activity is attained at СPd(II = 1.02·10-5 mol/g. For bimetallic Pd(II- Cu(II-KBr/N-Bent composition, changes in τ0, τ1/2, k1/2, and Q1/2 parameters depending on a Pd(II content are similar to those for monometallic Pd(II-KBr/NBent composition; however, values of the parameters are higher for the monometallic system. Thus, the inhibiting effect of Cu(II is observed even in the presence of palladium(II.

  3. Elizabeth II uus kunstigalerii

    Index Scriptorium Estoniae

    1999-01-01

    Tähistamaks oma troonile asumise 50. aastapäeva, avab Elizabeth II 6. II 2002 Buckinghami palees uue kunstigalerii, mis ehitatakse palee tiibhoonena. Arhitekt John Simpson. Elizabeth II kunstikogust

  4. Accurate quantum chemical calculations

    Science.gov (United States)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  5. Zero Temperature Hope Calculations

    International Nuclear Information System (INIS)

    Rozsnyai, B. F.

    2002-01-01

    The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task. The Amaldi correction is an attempt to address this problem by distorting the

  6. Calculation of the inventory

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.; Oliveira Brandao, R. de.

    1988-04-01

    The theory of Point Kernel applied to a source uniformelly distributed in a cylindrical geometry was utilized to estimated the Cs-137 content of each package of radioactive waste collected. The Taylor equation was employed to calculate the build-up factor and the Green function G was adjusted by means of a least square method. The theory also takes into account factors such as aditional shielding, heterogeneity and humidity of the medium as well as associated uncertanties of the parameters envolved. (author) [pt

  7. Calculations in furnace technology

    CERN Document Server

    Davies, Clive; Hopkins, DW; Owen, WS

    2013-01-01

    Calculations in Furnace Technology presents the theoretical and practical aspects of furnace technology. This book provides information pertinent to the development, application, and efficiency of furnace technology. Organized into eight chapters, this book begins with an overview of the exothermic reactions that occur when carbon, hydrogen, and sulfur are burned to release the energy available in the fuel. This text then evaluates the efficiencies to measure the quantity of fuel used, of flue gases leaving the plant, of air entering, and the heat lost to the surroundings. Other chapters consi

  8. Deep penetration calculations

    International Nuclear Information System (INIS)

    Thompson, W.L.; Deutsch, O.L.; Booth, T.E.

    1980-04-01

    Several Monte Carlo techniques are compared in the transport of neutrons of different source energies through two different deep-penetration problems each with two parts. The first problem involves transmission through a 200-cm concrete slab. The second problem is a 90 0 bent pipe jacketed by concrete. In one case the pipe is void, and in the other it is filled with liquid sodium. Calculations are made with two different Los Alamos Monte Carlo codes: the continuous-energy code MCNP and the multigroup code MCMG

  9. Model calculation for energy loss in ion-surface collisions

    International Nuclear Information System (INIS)

    Miraglia, J.E.; Gravielle, M.S.

    2003-01-01

    The so-called local plasma approximation is generalized to deal with projectiles colliding with surfaces of amorphous solids and with a specific crystalline structure (plannar channeling). Energy loss of protons grazingly colliding with aluminum, SnTe alloy, and LiF surfaces is investigated. The calculations agree quite well with previous theoretical results and explain the experimental findings of energy loss for aluminum and SnTe alloy, but they fall short to explain the data for LiF surfaces

  10. Explaining Infinite Series--An Exploration of Students' Images

    Science.gov (United States)

    Champney, Danielle Dawn

    2013-01-01

    This study uses self-generated representations (SGR)--images produced in the act of explaining--as a means of uncovering what university calculus students understand about infinite series convergence. It makes use of student teaching episodes, in which students were asked to explain to a peer what that student might have missed had they been…

  11. Explaining Interaction Effects within and across Levels of Analysis

    DEFF Research Database (Denmark)

    Andersson, Ulf; Cuervo-Cazurra, Alvaro; Nielsen, Bo Bernhard

    2014-01-01

    Many manuscripts submitted to the Journal of International Business Studies propose an interaction effect in their models in an effort to explain the complexity and contingency of relationships across borders. In this article, we provide guidance on how best to explain the interaction effects...

  12. Biosorption of Cd(II) and Zn(II) by nostoc commune: isotherm and kinetics studies

    Energy Technology Data Exchange (ETDEWEB)

    Morsy, Fatthy M. [Faculty of Science, Botany Department, Assiut University, Assiut (Egypt); Hassan, Sedky H.A. [Department of Biological Environment, Kangwon National University, Kangwon-do (Korea, Republic of); Koutb, Mostafa [Faculty of Science, Botany Department, Assiut University, Assiut (Egypt); Umm Al-Qura University, Faculty of Applied Science, Biology Department, Mecca (Saudi Arabia)

    2011-07-15

    In this study, Nostoc commune (cyanobacterium) was used as an inexpensive and efficient biosorbent for Cd(II) and Zn(II) removal from aqueous solutions. The effect of various physicochemical factors on Cd(II) and Zn(II) biosorption such as pH 2.0-7.0, initial metal concentration 0.0-300 mg/L and contact time 0-120 min were studied. Optimum pH for removal of Cd(II) and Zn(II) was 6.0, while the contact time was 30 min at room temperature. The nature of biosorbent and metal ion interaction was evaluated by infrared (IR) technique. IR analysis of bacterial biomass revealed the presence of amino, carboxyl, hydroxyl, and carbonyl groups, which are responsible for biosorption of Cd(II) and Zn (II). The maximum biosorption capacities for Cd(II) and Zn(II) biosorption by N. commune calculated from Langmuir biosorption isotherm were 126.32 and 115.41 mg/g, respectively. The biosorption isotherm for two biosorbents fitted well with Freundlich isotherm than Langmuir model with correlation coefficient (r{sup 2} < 0.99). The biosorption kinetic data were fitted well with the pseudo-second-order kinetic model. Thus, this study indicated that the N. commune is an efficient biosorbent for the removal of Cd(II) and Zn(II) from aqueous solutions. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Weldon Spring dose calculations

    International Nuclear Information System (INIS)

    Dickson, H.W.; Hill, G.S.; Perdue, P.T.

    1978-09-01

    In response to a request by the Oak Ridge Operations (ORO) Office of the Department of Energy (DOE) for assistance to the Department of the Army (DA) on the decommissioning of the Weldon Spring Chemical Plant, the Health and Safety Research Division of the Oak Ridge National Laboratory (ORNL) performed limited dose assessment calculations for that site. Based upon radiological measurements from a number of soil samples analyzed by ORNL and from previously acquired radiological data for the Weldon Spring site, source terms were derived to calculate radiation doses for three specific site scenarios. These three hypothetical scenarios are: a wildlife refuge for hunting, fishing, and general outdoor recreation; a school with 40 hr per week occupancy by students and a custodian; and a truck farm producing fruits, vegetables, meat, and dairy products which may be consumed on site. Radiation doses are reported for each of these scenarios both for measured uranium daughter equilibrium ratios and for assumed secular equilibrium. Doses are lower for the nonequilibrium case

  14. Configuration space Faddeev calculations

    International Nuclear Information System (INIS)

    Payne, G.L.; Klink, W.H.; Polyzou, W.N.

    1989-01-01

    The detailed study of few-body systems provides one of the most effective means for studying nuclear physics at subnucleon distance scales. For few-body systems the model equations can be solved numerically with errors less than the experimental uncertainties. We have used such systems to investigate the size of relativistic effects, the role of meson-exchange currents, and the importance of quark degrees of freedom in the nucleus. Complete calculations for momentum-dependent potentials have been performed, and the properties of the three-body bound state for these potentials have been studied. Few-body calculations of the electromagnetic form factors of the deuteron and pion have been carried out using a front-form formulation of relativistic quantum mechanics. The decomposition of the operators transforming convariantly under the Poincare group into kinematical and dynamical parts has been studies. New ways for constructing interactions between particles, as well as interactions which lead to the production of particles, have been constructed in the context of a relativistic quantum mechanics. To compute scattering amplitudes in a nonperturbative way, classes of operators have been generated out of which the phase operator may be constructed. Finally, we have worked out procedures for computing Clebsch-Gordan and Racah coefficients on a computer, as well as giving procedures for dealing with the multiplicity problem

  15. Buoyant plume calculations

    International Nuclear Information System (INIS)

    Penner, J.E.; Haselman, L.C.; Edwards, L.L.

    1985-01-01

    Smoke from raging fires produced in the aftermath of a major nuclear exchange has been predicted to cause large decreases in surface temperatures. However, the extent of the decrease and even the sign of the temperature change, depend on how the smoke is distributed with altitude. We present a model capable of evaluating the initial distribution of lofted smoke above a massive fire. Calculations are shown for a two-dimensional slab version of the model and a full three-dimensional version. The model has been evaluated by simulating smoke heights for the Hamburg firestorm of 1943 and a smaller scale oil fire which occurred in Long Beach in 1958. Our plume heights for these fires are compared to those predicted by the classical Morton-Taylor-Turner theory for weakly buoyant plumes. We consider the effect of the added buoyancy caused by condensation of water-laden ground level air being carried to high altitude with the convection column as well as the effects of background wind on the calculated smoke plume heights for several fire intensities. We find that the rise height of the plume depends on the assumed background atmospheric conditions as well as the fire intensity. Little smoke is injected into the stratosphere unless the fire is unusually intense, or atmospheric conditions are more unstable than we have assumed. For intense fires significant amounts of water vapor are condensed raising the possibility of early scavenging of smoke particles by precipitation. 26 references, 11 figures

  16. Shielding calculations for NET

    International Nuclear Information System (INIS)

    Verschuur, K.A.; Hogenbirk, A.

    1991-05-01

    In the European Fusion Technology Programme there is only a small activity on research and development for fusion neutronics. Never-the-less, looking further than blanket design now, as ECN is getting involved in design of radiation shields for the coils and biological shields, it becomes apparent that fusion neutronics as a whole still needs substantial development. Existing exact codes for calculation of complex geometries like MCNP and DORT/TORT are put over the limits of their numerical capabilities, whilst approximate codes for complex geometries like FURNACE and MERCURE4 are put over the limits of their modelling capabilities. The main objective of this study is just to find out how far we can get with existing codes in obtaining reliable values for the radiation levels inside and outside the cryostat/shield during operation and after shut-down. Starting with a 1D torus model for preliminary parametric studies, more dimensional approximation of the torus or parts of it including the main heterogeneities should follow. Regular contacts with the NET-Team are kept, to be aware of main changes in NET design that might affect our calculation models. Work on the contract started 1 July 1990. The technical description of the contract is given. (author). 14 refs.; 4 figs.; 1 tab

  17. A primer for biomedical scientists on how to execute model II linear regression analysis.

    Science.gov (United States)

    Ludbrook, John

    2012-04-01

    1. There are two very different ways of executing linear regression analysis. One is Model I, when the x-values are fixed by the experimenter. The other is Model II, in which the x-values are free to vary and are subject to error. 2. I have received numerous complaints from biomedical scientists that they have great difficulty in executing Model II linear regression analysis. This may explain the results of a Google Scholar search, which showed that the authors of articles in journals of physiology, pharmacology and biochemistry rarely use Model II regression analysis. 3. I repeat my previous arguments in favour of using least products linear regression analysis for Model II regressions. I review three methods for executing ordinary least products (OLP) and weighted least products (WLP) regression analysis: (i) scientific calculator and/or computer spreadsheet; (ii) specific purpose computer programs; and (iii) general purpose computer programs. 4. Using a scientific calculator and/or computer spreadsheet, it is easy to obtain correct values for OLP slope and intercept, but the corresponding 95% confidence intervals (CI) are inaccurate. 5. Using specific purpose computer programs, the freeware computer program smatr gives the correct OLP regression coefficients and obtains 95% CI by bootstrapping. In addition, smatr can be used to compare the slopes of OLP lines. 6. When using general purpose computer programs, I recommend the commercial programs systat and Statistica for those who regularly undertake linear regression analysis and I give step-by-step instructions in the Supplementary Information as to how to use loss functions. © 2011 The Author. Clinical and Experimental Pharmacology and Physiology. © 2011 Blackwell Publishing Asia Pty Ltd.

  18. Dynamical Simulation of Recycling and Particle Fueling in TJ-II Plasmas; Simulacion Dinamica del Reciclado y de la Inyeccion de Particulas en los Plasmas del TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Bruna, D; Ferreira, J A; Tabares, F L; Castejon, F; Guasp, J

    2007-07-20

    With the aim of improving the calculation tools for transport analysis in TJ-II plasmas, in this work we analyze the simplified model for a kinetic equation that ASTRA uses to calculate the neutral particle distribution in the plasma. Next, we act on the boundary conditions for this kinetic equation (particularly on the neutral density in the plasma boundary) so we can simulate the recycling conditions for the TJ-II in a simple way. With the resulting transport models we can easily analyze the sensibility of these plasmas to the cold gas puffing depending on the recycling conditions. These transport models evidence the problem of density control in the TJ-II. Likewise, we estimate the importance of recycling in the plasmas heated by energetic neutral beam injection. The experimentally observed increments in density when the energetic neutrals are injected would respond, according to the calculations here presented, to a large increment of the neutrals influx that cannot be explained by the beam itself. (Author) 22 refs.

  19. Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II ...

    Indian Academy of Sciences (India)

    Unknown

    Synthesis and characterisation of Cu(II), Ni(II), Mn(II), Zn(II) and VO(II) Schiff base complexes derived from o-phenylenediamine and acetoacetanilide. N RAMAN*, Y PITCHAIKANI RAJA and A KULANDAISAMY. Department of Chemistry, VHNSN College, Virudhunagar 626 001, India e-mail: ra_man@123india.com.

  20. Calculating graduation rates.

    Science.gov (United States)

    Starck, Patricia L; Love, Karen; McPherson, Robert

    2008-01-01

    In recent years, the focus has been on increasing the number of registered nurse (RN) graduates. Numerous states have initiated programs to increase the number and quality of students entering nursing programs, and to expand the capacity of their programs to enroll additional qualified students. However, little attention has been focused on an equally, if not more, effective method for increasing the number of RNs produced-increasing the graduation rate of students enrolling. This article describes a project that undertook the task of compiling graduation data for 15 entry-level programs, standardizing terms and calculations for compiling the data, and producing a regional report on graduation rates of RN students overall and by type of program. Methodology is outlined in this article. This effort produced results that were surprising to program deans and directors and is expected to produce greater collaborative efforts to improve these rates both locally and statewide.

  1. Smile esthetics: calculated beauty?

    Science.gov (United States)

    Lecocq, Guillaume; Truong Tan Trung, Lisa

    2014-06-01

    Esthetic demand from patients continues to increase. Consequently, the treatments we offer are moving towards more discreet or invisible techniques using lingual brackets in order to achieve harmonious, balanced results in line with our treatment goals. As orthodontists, we act upon relationships between teeth and bone. And the equilibrium they create impacts the entire face via the smile. A balanced smile is essential to an esthetic outcome and is governed by rules, which guide both the practitioner and patient. A smile can be described in terms of mathematical ratios and proportions but beauty cannot be calculated. For the smile to sit harmoniously within the face, we need to take into account facial proportions and the possibility of their being modified by our orthopedic appliances or by surgery. Copyright © 2014 CEO. Published by Elsevier Masson SAS. All rights reserved.

  2. Calculated Bulk Properties of the Actinide Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.

    1978-01-01

    Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...

  3. Gaining from explaining: Learning improves from explaining to fictitious others on video, not from writing to them

    NARCIS (Netherlands)

    Hoogerheide, Vincent; Deijkers, Lian; Loyens, Sofie M M; Heijltjes, Anita; van Gog, Tamara

    2016-01-01

    Two experiments investigated whether studying a text with an "explanation intention" and then actually explaining it to (fictitious) other students in writing, would yield the same benefits as previously found for explaining on video. Experiment 1 had participants first studying a text either with

  4. Transport with Astra in TJ-II

    International Nuclear Information System (INIS)

    Lopez-Bruna, D.; Castejon, F.; Fontdecaba, J. M.

    2004-01-01

    This report describes the adaptation of the numerical transport shell ASTRA for performing plasma calculations in the TJ-II stellarator device. Firstly, an approximation to the TJ-II geometry is made and a simple transport model is shared with two other codes in order to compare these codes (PROCTR, PRETOR-Stellarator) with ASTRA as calculation tool for TJ-II plasmas are provided: interpretative and predictive transport. The first consists in estimating the transport coefficients from real experimental data, thes being taken from three TJ-II discharges. The predictive facet is illustrated using a model that is able to includes self-consistently the dynamics of transport barriers. The report includes this model, written in the ASTRA programming language, to illustrate the use of ASTRA. (Author) 26 refs

  5. Nonlinear calculations for bump Cepheids

    International Nuclear Information System (INIS)

    Hodson, S.W.; Cox, A.N.

    1979-01-01

    Hydrodynamic calculations to find strictly periodic solutions for the fundamental mode pulsations of 7 M/sub sun/ models were made using the von Sengbusch--Stellingwerf relaxation method. The models have a helium enrichment in the surface convection zones to Y = 0.78, which from the linear theory period ratio π 2 /π 0 and the Simon and Schmidt resonance hypothesis, should give the observed Hertzsprung progression of light and velocity curve bump phase with period. These surface helium enhanced models show the proper nonlinear bump phase behavior without resort to any mass loss before or during the blue loop phases of yellow giant evolution. At 6000 K and the evolution theory luminosity of 4744 L/sub sun/ for 7 M/sub sun/, that is, at a fundamental mode period of 8.5 day, the velocity curve bump is well after the maximum expansion velocity. At 5400 K and at the same luminosity (period of 12.5 days), there is a bump on the velocity curve well before maximum expansion velocity time. The latter case seems to exhibit the Christy echos but not the former. The echo interpretation may not be appropriate for these masses which are larger than the anomalous masses used by Christy, Stobie, and Adams. Resonance of the fundamental and second overtone modes should not necessarily show echos of surface disturbances from the center. The conclusion is that helium enrichment in the surface convection zones can adequately explain observations of bump Cepheids at evolution theory masses. 12 references

  6. ANL calculational methodologies for determining spent nuclear fuel source term

    International Nuclear Information System (INIS)

    McKnight, R. D.

    2000-01-01

    Over the last decade Argonne National Laboratory has developed reactor depletion methods and models to determine radionuclide inventories of irradiated EBR-II fuels. Predicted masses based on these calculational methodologies have been validated using available data from destructive measurements--first from measurements of lead EBR-II experimental test assemblies and later using data obtained from processing irradiated EBR-II fuel assemblies in the Fuel Conditioning Facility. Details of these generic methodologies are described herein. Validation results demonstrate these methods meet the FCF operations and material control and accountancy requirements

  7. Use of environmental parameters to explain the variability in ...

    African Journals Online (AJOL)

    Abstract. This study attempts to explain the variability in recruitment of sardine in the northern Benguela and to develop potential models by including environmental information to predict recruitment. ... AJOL African Journals Online. HOW TO ...

  8. Phenotypic variance explained by local ancestry in admixed African Americans.

    Science.gov (United States)

    Shriner, Daniel; Bentley, Amy R; Doumatey, Ayo P; Chen, Guanjie; Zhou, Jie; Adeyemo, Adebowale; Rotimi, Charles N

    2015-01-01

    We surveyed 26 quantitative traits and disease outcomes to understand the proportion of phenotypic variance explained by local ancestry in admixed African Americans. After inferring local ancestry as the number of African-ancestry chromosomes at hundreds of thousands of genotyped loci across all autosomes, we used a linear mixed effects model to estimate the variance explained by local ancestry in two large independent samples of unrelated African Americans. We found that local ancestry at major and polygenic effect genes can explain up to 20 and 8% of phenotypic variance, respectively. These findings provide evidence that most but not all additive genetic variance is explained by genetic markers undifferentiated by ancestry. These results also inform the proportion of health disparities due to genetic risk factors and the magnitude of error in association studies not controlling for local ancestry.

  9. Can selection explain the protective effects of farming on asthma?

    Directory of Open Access Journals (Sweden)

    Wijnand Eduard

    2015-09-01

    No healthy worker selection into farming was observed and changes in asthma prevalence due to early retirement were small. Selection effects are therefore unlikely to explain the protective effects of farming on asthma.

  10. Can inflation explain the second law of thermodynamics

    International Nuclear Information System (INIS)

    Page, D.N.; Pennsylvania State Univ., University Park

    1984-01-01

    The inflationary model of the universe can explain several of the cosmological conundra that are mysteries in the standard hot big bang model. Paul Davies has suggested that inflation can also explain the second law of thermodynamics, which describes the time asymmetry of the universe. Here several difficulties with this suggestion are noted showing how the present inflationary models must assume the arrow of time rather than explaining it. If the second law is formulated as a consequence of the hypothesis that there were no long-range spatial correlations in the initial state of the universe, it is shown how some of the cosmological conundra might be explained even without inflation. But if the ultimate explanation is to include inflation, three essential elements remain to be demonstrated which are listed. (author)

  11. Persistent villi hypoperfusion explains intramucosal acidosis in sheep endotoxemia

    NARCIS (Netherlands)

    Dubin, Arnaldo; Edul, Vanina Siham Kanoore; Pozo, Mario Omar; Murias, Gastón; Canullán, Carlos Manuel; Martins, Enrique Francisco; Ferrara, Gonzalo; Canales, Héctor Saul; Laporte, Mercedes; Estenssoro, Elisa; Ince, Can

    2008-01-01

    OBJECTIVE: To test the hypothesis that persistent villi hypoperfusion explains intramucosal acidosis after endotoxemic shock resuscitation. DESIGN: Controlled experimental study. SETTING: University-based research laboratory. SUBJECTS: A total of 14 anesthetized, mechanically ventilated sheep.

  12. Relative Hazard Calculation Methodology

    International Nuclear Information System (INIS)

    DL Strenge; MK White; RD Stenner; WB Andrews

    1999-01-01

    The methodology presented in this document was developed to provide a means of calculating the RH ratios to use in developing useful graphic illustrations. The RH equation, as presented in this methodology, is primarily a collection of key factors relevant to understanding the hazards and risks associated with projected risk management activities. The RH equation has the potential for much broader application than generating risk profiles. For example, it can be used to compare one risk management activity with another, instead of just comparing it to a fixed baseline as was done for the risk profiles. If the appropriate source term data are available, it could be used in its non-ratio form to estimate absolute values of the associated hazards. These estimated values of hazard could then be examined to help understand which risk management activities are addressing the higher hazard conditions at a site. Graphics could be generated from these absolute hazard values to compare high-hazard conditions. If the RH equation is used in this manner, care must be taken to specifically define and qualify the estimated absolute hazard values (e.g., identify which factors were considered and which ones tended to drive the hazard estimation)

  13. Experimental Young's modulus calculations

    International Nuclear Information System (INIS)

    Chen, Y.; Jayakumar, R.; Yu, K.

    1994-01-01

    Coil is a very important magnet component. The turn location and the coil size impact both mechanical and magnetic behavior of the magnet. The Young's modulus plays a significant role in determining the coil location and size. Therefore, Young's modulus study is essential in predicting both the analytical and practical magnet behavior. To determine the coil Young's modulus, an experiment has been conducted to measure azimuthal sizes of a half quadrant QSE101 inner coil under different loading. All measurements are made at four different positions along an 8-inch long inner coil. Each measurement is repeated three times to determine the reproducibility of the experiment. To ensure the reliability of this experiment, the same measurement is performed twice with a open-quotes dummy coil,close quotes which is made of G10 and has the same dimension and similar azimuthal Young's modulus as the inner coil. The difference between the G10 azimuthal Young's modulus calculated from the experiments and its known value from the manufacturer will be compared. Much effort has been extended in analyzing the experimental data to obtain a more reliable Young's modulus. Analysis methods include the error analysis method and the least square method

  14. Relativistic few body calculations

    International Nuclear Information System (INIS)

    Gross, F.

    1988-01-01

    A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

  15. Equilibrium calculations, ch. 6

    International Nuclear Information System (INIS)

    Deursen, A.P.J. van

    1976-01-01

    A calculation is presented of dimer intensities obtained in supersonic expansions. There are two possible limiting considerations; the dimers observed are already present in the source, in thermodynamic equilibrium, and are accelerated in the expansion. Destruction during acceleration is neglected, as are processes leading to newly formed dimers. On the other hand one can apply a kinetic approach, where formation and destruction processes are followed throughout the expansion. The difficulty of this approach stems from the fact that the density, temperature and rate constants have to be known at all distances from the nozzle. The simple point of view has been adopted and the measured dimer intensities are compared with the equilibrium concentration in the source. The comparison is performed under the assumption that the detection efficiency for dimers is twice the detection efficiency for monomers. The experimental evidence against the simple point of view that the dimers of the onset region are formed in the source already, under equilibrium conditions, is discussed. (Auth.)

  16. Configuration space Faddeev calculations

    International Nuclear Information System (INIS)

    Payne, G.L.; Klink, W.H.; Ployzou, W.N.

    1991-01-01

    The detailed study of few-body systems provides one of the most precise tools for studying the dynamics of nuclei. Our research program consists of a careful theoretical study of the nuclear few-body systems. During the past year we have completed several aspects of this program. We have continued our program of using the trinucleon system to investigate the validity of various realistic nucleon-nucleon potentials. Also, the effects of meson-exchange currents in nuclear systems have been studied. Initial calculations using the configuration-space Faddeev equations for nucleon-deuteron scattering have been completed. With modifications to treat relativistic systems, few-body methods can be applied to phenomena that are sensitive to the structure of the individual hadrons. We have completed a review of Relativistic Hamiltonian Dynamics in Nuclear and Particle Physics for Advances in Nuclear Physics. Although it is called a review, it is a large document that contains a significant amount of new research

  17. Electron paramagnetic resonance in myoglobin single crystals doped with Cu(II) : conformational changes

    International Nuclear Information System (INIS)

    Nascimento, O.R.

    1976-03-01

    Single crystals of sperm whale met-Myoglobin were doped with Cu (II) by immersion in a saturaded solution of NH 3 (SO 4 ) containing diluted Cu (SO 4 ).Two isotropic EPR spectra with different parameters and three anisotropic EPR spectra corresponding to three distinct types of Cu(II) : Mb complexes were identified. A fitting of the angular variation of the EPR spectrum of one of the complexes named here Cu(II)A : Mb was done using a spin Hamiltonian with axial symmetry calculated up to second order which gave the EPR hyperfine parameters.A study of the thermal variation of the complex Cu (II)A : Mb EPR spectrum in the temperature range of 25 0 C to 55 0 C allowed an identification of a conformational variation of the molecule the spectrum evolved from the anisotropic to isotropic spectrum with different parameters. A model of the Cu(II)A : Mb complex is proposed to explain the conformational change of the molecule by means of EPR spectra before and after thermal treatment. The isotropic spectrum obtained with the crystal at 55 0 C presents the EPR parameters very similar to the same parameters obtained with the Cu (II) : Mb complex in aqueous solution at 77 0 K, whereas the isotropic spectra parameters obtained with the dried crystal are quite different. It was possible to identify two different tertiary structures of the myoglobin molecule : one corresponding to the molecule in the crystal at 55 0 C and other to the dry crystal. A slight difference in the crystalline and solution structure of the myoglobin mollecule is observed. (Author) [pt

  18. A calculational system to aid economical use of MTRs

    International Nuclear Information System (INIS)

    Reitsma, F.; Joubert, W.R.

    1999-01-01

    The availability of a fast and accurate core neutronic calculational system is a valuable asset in the operation and utilization of research reactors. Its primary value lies in optimum reload design, fuel management, safety and utilization studies. In this paper the OSCAR-3 calculational system of the Atomic Energy Corporation of South Africa (AEC) is discussed in detail. The different components and important features are explained with a short summary of some comparisons with experiments. (author)

  19. Explaining focal points: Cognitive hierarchy theory versus team reasoning

    OpenAIRE

    Bardsley, Nicholas; Mehta, Judith; Starmer, Chris; Sugden, Robert

    2008-01-01

    This paper reports experimental tests of two alternative explanations of how players use focal points to select equilibria in one-shot coordination games. Cognitive hierarchy theory explains coordination as the result of common beliefs about players’ pre-reflective inclinations towards the relevant strategies; the theory of team reasoning explains it as the result of the players’ using a non-standard form of reasoning. We report two experiments. One finds strong support for team reasoning; th...

  20. Tuned Normalization Explains the Size of Attention Modulations

    OpenAIRE

    Ni, Amy M.; Ray, Supratim; Maunsell, John H.R.

    2012-01-01

    The effect of attention on firing rates varies considerably within a single cortical area. The firing rate of some neurons is greatly modulated by attention while others are hardly affected. The reason for this variability across neurons is unknown. We found that the variability in attention modulation across neurons in area MT of macaques can be well explained by variability in the strength of tuned normalization across neurons. The presence of tuned normalization also explains a striking as...

  1. Adsorption of Zinc(II) on diatomite and manganese-oxide-modified diatomite: A kinetic and equilibrium study

    Energy Technology Data Exchange (ETDEWEB)

    Caliskan, Necla, E-mail: ncaliskan7@hotmail.com [Department of Physical Chemistry, Faculty of Science, Yuezuencue Yil University, Van 65080 (Turkey); Kul, Ali Riza; Alkan, Salih; Sogut, Eda Gokirmak; Alacabey, Ihsan [Department of Physical Chemistry, Faculty of Science, Yuezuencue Yil University, Van 65080 (Turkey)

    2011-10-15

    Highlights: {center_dot}The removal of Zn(II) ions from aqueous solution was studied using natural and MnO{sub 2} modified diatomite samples at different temperatures. {center_dot} The sorption of Zn(II) on the natural and modified diatomite was an endothermic processes, controlled by physical mechanisms and spontaneously. {center_dot} Adsorption of zinc metal ion on diatomite samples is more or less a two step process. {center_dot} Adsorption of Zn(II) on natural and modified diatomite could be explained by the mechanism of pseudo-second-order. - Abstract: The removal of Zn(II) ions from aqueous solution was studied using natural and MnO{sub 2} modified diatomite samples at different temperatures. The linear Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption equations were applied to describe the equilibrium isotherms. From the D-R model, the mean adsorption energy was calculated as >8 kJ mol{sup -1}, indicating that the adsorption of Zn(II) onto diatomite and Mn-diatomite was physically carried out. In addition, the pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to determine the kinetic data. The experimental data were well fitted by the pseudo-second-order kinetic model. Thermodynamic parameters such as the enthalpy ({Delta}H{sup 0}), Gibbs' free energy ({Delta}G{sup 0}) and entropy ({Delta}S{sup 0}) were calculated for natural and MnO{sub 2} modified diatomite. These values showed that the adsorption of Zn(II) ions onto diatomite samples was controlled by a physical mechanism and occurred spontaneously.

  2. The rating reliability calculator

    Directory of Open Access Journals (Sweden)

    Solomon David J

    2004-04-01

    Full Text Available Abstract Background Rating scales form an important means of gathering evaluation data. Since important decisions are often based on these evaluations, determining the reliability of rating data can be critical. Most commonly used methods of estimating reliability require a complete set of ratings i.e. every subject being rated must be rated by each judge. Over fifty years ago Ebel described an algorithm for estimating the reliability of ratings based on incomplete data. While his article has been widely cited over the years, software based on the algorithm is not readily available. This paper describes an easy-to-use Web-based utility for estimating the reliability of ratings based on incomplete data using Ebel's algorithm. Methods The program is available public use on our server and the source code is freely available under GNU General Public License. The utility is written in PHP, a common open source imbedded scripting language. The rating data can be entered in a convenient format on the user's personal computer that the program will upload to the server for calculating the reliability and other statistics describing the ratings. Results When the program is run it displays the reliability, number of subject rated, harmonic mean number of judges rating each subject, the mean and standard deviation of the averaged ratings per subject. The program also displays the mean, standard deviation and number of ratings for each subject rated. Additionally the program will estimate the reliability of an average of a number of ratings for each subject via the Spearman-Brown prophecy formula. Conclusion This simple web-based program provides a convenient means of estimating the reliability of rating data without the need to conduct special studies in order to provide complete rating data. I would welcome other researchers revising and enhancing the program.

  3. Calculation of Kinetic Parameters of TRIGA Reactor

    International Nuclear Information System (INIS)

    Snoj, Luka; Kavcic, Andrej; Zerovnik, Gasper; Ravnik, Matjaz

    2008-01-01

    Modern Monte Carlo transport codes in combination of fast computer clusters enable very accurate calculations of the most important reactor kinetic parameters. Such are the effective delayed neutron fraction, β eff , and mean neutron generation time, Λ. We calculated the β eff and Λ for various realistic and hypothetical annular TRIGA Mark II cores with different types and amount of fuel. It can be observed that the effective delayed neutron fraction strongly depends on the number of fuel elements in the core or on the core size. E.g., for 12 wt. % uranium standard fuel with 20 % enrichment, β eff varies from 0.0080 for a small core (43 fuel rods) to 0.0075 for a full core (90 fuel rods). It is interesting to note that calculated value of β eff strongly depends also on the delayed neutron nuclear data set used in calculations. The prompt neutron life-time mainly depends on the amount (due to either content or enrichment) of 235 U in the fuel as it is approximately inversely proportional to the average absorption cross-section of the fuel. E.g., it varies from 28 μs for 30 wt. % uranium content fuelled core to 48 μs for 8.5 wt. % uranium content LEU fuelled core. The results are especially important for pulse mode operation and analysis of the pulses. (authors)

  4. Parameters calculation of a shielding experiment and evaluation of calculation methodology

    International Nuclear Information System (INIS)

    Gavazza, S.; Otto, A.C.; Gomes, I.C.; Maiorino, J.R.

    1986-01-01

    In this text is carried out the evaluation of radiation transport methodology, comparying the calculated reactions and dose rates, for neutrons and gamma-rays, with the experimental measurements obtained on iron shield, irradiated in YAYOI reactor. Were employed the ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system for generation of cross sections, collapsed by the ANISN code. The transport calculation were made by using the DOT 3.5 code, adjusting the spectrum of the iron shield boundary source to the reactions and dose rates, measured at the beginning of shield. The distributions calculated for neutrons and gamma-rays, on iron shield, presented coherence with the experimental measurements. (Author) [pt

  5. Synthesis and properties of complexes of copper(II), nickel(II), cobalt(II) and uranyl ions with 3-(p-tolylsulphonamido)rhodamine

    International Nuclear Information System (INIS)

    El-Bindary, A.A.; El-Sonbati, A.Z.

    2000-01-01

    Metal complexes of copper(II), nickel(II), cobalt(II) and uranyl ions with 3-(p-tolylsulphonamido)rhodamine (HL) have been prepared and characterized by chemical and thermal analyses, molar conductivity , magnetic susceptibility measurements, and infrared, electronic and EPR spectra. The visible and EPR spectra indicated that the Cu(II) complex has a tetragonal geometry. From EPR spectrum of the Cu(II) complex,various parameters were calculated. The crystal field parameters of Ni(II) complex were calculated and were found to agree fairly well with the values reported for known square pyramidal complexes. The infrared spectral studies showed a monobasic bidentate behaviour with the oxygen and nitrogen donor system. Thermal stabilities of the complexes are also reported. (author)

  6. Role of dust in H II regions

    International Nuclear Information System (INIS)

    Sarazin, C.L.

    1975-01-01

    The purpose of this dissertation is to determine quantitatively the effects of U.V. absorbing dust on H II regions, and compare these effects with observations. Many observations indicate that dust grains are present within H II regions. An analytic theory is presented which describes all three of the effects of dust in H II regions. Although this model is relatively crude, it is useful in determining the approximate size of the modifications due to dust. In order to explore this problem more carefully, detailed numerical models of H II regions with dust were constructed. The ionization and thermal structure of these model H II regions is discussed. The observational consequences of the presence of dust are explored; the optical line intensities, radio continuum and line fluxes, and infrared emission of model H II regions with dust are given. These numerical models are compared with observations of diffuse nebulae. The optical line ratios are compared to several nearby bright H II regions, and it is found that the dust models may explain several anomalies in their spectrum

  7. MOx Depletion Calculation Benchmark

    International Nuclear Information System (INIS)

    San Felice, Laurence; Eschbach, Romain; Dewi Syarifah, Ratna; Maryam, Seif-Eddine; Hesketh, Kevin

    2016-01-01

    Under the auspices of the NEA Nuclear Science Committee (NSC), the Working Party on Scientific Issues of Reactor Systems (WPRS) has been established to study the reactor physics, fuel performance, radiation transport and shielding, and the uncertainties associated with modelling of these phenomena in present and future nuclear power systems. The WPRS has different expert groups to cover a wide range of scientific issues in these fields. The Expert Group on Reactor Physics and Advanced Nuclear Systems (EGRPANS) was created in 2011 to perform specific tasks associated with reactor physics aspects of present and future nuclear power systems. EGRPANS provides expert advice to the WPRS and the nuclear community on the development needs (data and methods, validation experiments, scenario studies) for different reactor systems and also provides specific technical information regarding: core reactivity characteristics, including fuel depletion effects; core power/flux distributions; Core dynamics and reactivity control. In 2013 EGRPANS published a report that investigated fuel depletion effects in a Pressurised Water Reactor (PWR). This was entitled 'International Comparison of a Depletion Calculation Benchmark on Fuel Cycle Issues' NEA/NSC/DOC(2013) that documented a benchmark exercise for UO 2 fuel rods. This report documents a complementary benchmark exercise that focused on PuO 2 /UO 2 Mixed Oxide (MOX) fuel rods. The results are especially relevant to the back-end of the fuel cycle, including irradiated fuel transport, reprocessing, interim storage and waste repository. Saint-Laurent B1 (SLB1) was the first French reactor to use MOx assemblies. SLB1 is a 900 MWe PWR, with 30% MOx fuel loading. The standard MOx assemblies, used in Saint-Laurent B1 reactor, include three zones with different plutonium enrichments, high Pu content (5.64%) in the center zone, medium Pu content (4.42%) in the intermediate zone and low Pu content (2.91%) in the peripheral zone

  8. Selective Hg(II) adsorption from aqueous solutions of Hg(II) and Pb(II) by hydrolyzed acrylamide-grafted PET films.

    Science.gov (United States)

    Rahman, Nazia; Sato, Nobuhiro; Sugiyama, Masaaki; Hidaka, Yoshiki; Okabe, Hirotaka; Hara, Kazuhiro

    2014-01-01

    Selective Hg(II) adsorption from aqueous solutions of Hg(II) and Pb(II) using hydrolyzed acrylamide (AAm)-grafted polyethylene terephthalate (PET) films was examined to explore the potential reuse of waste PET materials. Selective recovery of Hg(II) from a mixture of soft acids with similar structure, such as Hg(II) and Pb(II), is important to allow the reuse of recovered Hg(II). An adsorbent for selective Hg(II) adsorption was prepared by γ-ray-induced grafting of AAm onto PET films followed by partial hydrolysis through KOH treatment. The adsorption capacity of the AAm-grafted PET films for Hg(II) ions increased from 15 to 70 mg/g after partial hydrolysis because of the reduction of hydrogen bonding between -CONH2 groups and the corresponding improved access of metal ions to the amide groups. The prepared adsorbent was characterized by Fourier transform infrared spectroscopy and scanning electron microscopy. The absorbent film showed high selectivity for the adsorption of Hg(II) over Pb(II) throughout the entire initial metal concentration range (100-500 mg/L) and pH range (2.2-5.6) studied. The high selectivity is attributed to the ability of Hg(II) ions to form covalent bonds with the amide groups. The calculated selectivity coefficient for the adsorbent binding Hg(II) over Pb(II) was 19.2 at pH 4.5 with an initial metal concentration of 100 mg/L. Selective Hg(II) adsorption equilibrium data followed the Langmuir model and kinetic data were well fitted by a pseudo-second-order equation. The adsorbed Hg(II) and Pb(II) ions were effectively desorbed from the adsorbent film by acid treatment, and the regenerated film showed no marked loss of adsorption capacity upon reuse for selective Hg(II) adsorption.

  9. The variance of the locally measured Hubble parameter explained with different estimators

    DEFF Research Database (Denmark)

    Odderskov, Io Sandberg Hess; Hannestad, Steen; Brandbyge, Jacob

    2017-01-01

    We study the expected variance of measurements of the Hubble constant, H0, as calculated in either linear perturbation theory or using non-linear velocity power spectra derived from N-body simulations. We compare the variance with that obtained by carrying out mock observations in the N......-body simulations, and show that the estimator typically used for the local Hubble constant in studies based on perturbation theory is different from the one used in studies based on N-body simulations. The latter gives larger weight to distant sources, which explains why studies based on N-body simulations tend...... to obtain a smaller variance than that found from studies based on the power spectrum. Although both approaches result in a variance too small to explain the discrepancy between the value of H0 from CMB measurements and the value measured in the local universe, these considerations are important in light...

  10. Light echoes - Type II supernovae

    International Nuclear Information System (INIS)

    Schaefer, B.E.

    1987-01-01

    Type II supernovae (SNs) light curves show a remarkable range of shapes. Data have been collected for the 12 Type II SNs that have light curve information for more than four months past maximum. Contrary to previous reports, it is found that (1) the decay rate after 100 days past maximum varies by almost an order of magnitude and (2) the light curve shapes are not bimodally distributed, but actually form a continuum. In addition, it is found that the extinctions to the SNs are related to the light curve shapes. This implies that the absorbing dust is local to the SNs. The dust is likely to be part of a circumstellar shell emitted by the SN progenitor that Dwek (1983) has used to explain infrared echoes. The optical depth of the shell can get quite large. In such cases, it is found that the photons scattered and delayed by reflection off dust grains will dominate the light curve several months after peak brightness. This light echo offers a straightforward explanation of the diversity of Type II SN light curves. 22 references

  11. WIPP Benchmark calculations with the large strain SPECTROM codes

    International Nuclear Information System (INIS)

    Callahan, G.D.; DeVries, K.L.

    1995-08-01

    This report provides calculational results from the updated Lagrangian structural finite-element programs SPECTROM-32 and SPECTROM-333 for the purpose of qualifying these codes to perform analyses of structural situations in the Waste Isolation Pilot Plant (WIPP). Results are presented for the Second WIPP Benchmark (Benchmark II) Problems and for a simplified heated room problem used in a parallel design calculation study. The Benchmark II problems consist of an isothermal room problem and a heated room problem. The stratigraphy involves 27 distinct geologic layers including ten clay seams of which four are modeled as frictionless sliding interfaces. The analyses of the Benchmark II problems consider a 10-year simulation period. The evaluation of nine structural codes used in the Benchmark II problems shows that inclusion of finite-strain effects is not as significant as observed for the simplified heated room problem, and a variety of finite-strain and small-strain formulations produced similar results. The simplified heated room problem provides stratigraphic complexity equivalent to the Benchmark II problems but neglects sliding along the clay seams. The simplified heated problem does, however, provide a calculational check case where the small strain-formulation produced room closures about 20 percent greater than those obtained using finite-strain formulations. A discussion is given of each of the solved problems, and the computational results are compared with available published results. In general, the results of the two SPECTROM large strain codes compare favorably with results from other codes used to solve the problems

  12. Calculating the Candy Price Index: A Classroom Inflation Experiment.

    Science.gov (United States)

    Hazlett, Denise; Hill, Cynthia D.

    2003-01-01

    Outlines how students develop a price index based on candy-purchasing decisions made by class members. Explains that students used the index to practice calculating inflation rates and to consider the strengths and weaknesses of the consumer price index (CPI). States that the exercise has been used in introductory and intermediate macroeconomics…

  13. SIMPLANT: analytic calculation of ion implantation within the Tadpance system

    International Nuclear Information System (INIS)

    Fawcett, R.J.

    1988-04-01

    An analytic method for calculating the concentration distribution of dopant atoms introduced into a multilayer semiconductor device by ion beam implantation is explained. Computer software written to apply the method is described. The operation of the software within a semiconductor process and device modelling package is outlined. Implantation distributions generated by the software are illustrated. (author)

  14. SIMMER-II code and its applications

    International Nuclear Information System (INIS)

    Smith, L.L.

    1979-01-01

    The significant features of SIMMER-II, a disrupted-core analysis code, are described. The code has the capabalities to begin space-time neutronics calculations from nonstationary reactor states, to track the intermixing of fuel of different enrichments, and to model the complicated heat- and mass-transfer processes that occur in the transition phase. Example calculations are presented for analyses of whole-core accidents and for analyses of experiments supporting the code models

  15. Expected performance properties of the ASDEX upgrade toroidal field magnet derived from calculations and materials investigations

    International Nuclear Information System (INIS)

    Streibl, B.; Mukherjee, S.

    1989-11-01

    This is a summary of the TF-magnet calculation results for the 1984 phase-II proposal including supplements (also considering disturbances) of the performance of ASDEX Upgrade. Calculation results are as reliable as the assumptions incorporated, so that investigations of materials and design components were always used to complete the calculations. (orig.) [de

  16. ENRAF gauge reference level calculations

    Energy Technology Data Exchange (ETDEWEB)

    Huber, J.H., Fluor Daniel Hanford

    1997-02-06

    This document describes the method for calculating reference levels for Enraf Series 854 Level Detectors as installed in the tank farms. The reference level calculation for each installed level gauge is contained herein.

  17. HEU benchmark calculations and LEU preliminary calculations for IRR-1

    International Nuclear Information System (INIS)

    Caner, M.; Shapira, M.; Bettan, M.; Nagler, A.; Gilat, J.

    2004-01-01

    We performed neutronics calculations for the Soreq Research Reactor, IRR-1. The calculations were done for the purpose of upgrading and benchmarking our codes and methods. The codes used were mainly WIMS-D/4 for cell calculations and the three dimensional diffusion code CITATION for full core calculations. The experimental flux was obtained by gold wire activation methods and compared with our calculated flux profile. The IRR-1 is loaded with highly enriched uranium fuel assemblies, of the plate type. In the framework of preparation for conversion to low enrichment fuel, additional calculations were done assuming the presence of LEU fresh fuel. In these preliminary calculations we investigated the effect on the criticality and flux distributions of the increase of U-238 loading, and the corresponding uranium density.(author)

  18. Proteins in vacuo. A more efficient means of calculating ...

    African Journals Online (AJOL)

    and dynamic behavior, studies of protein ions in vacuo have become popular in recent years. ... descriptors include radius of gyration Rgyr, principal moments of inertia {Ii}, and root-mean- square deviations (RMSD) from a standard structure. ..... modelling the effects of molecular fluctuations on the cross section calculations.

  19. First principle calculations for improving desorption temperature in ...

    Indian Academy of Sciences (India)

    5Institute of Nanomaterials and Nanotechnology, MAScIR, Rabat 10000, Morocco. 6Hassan II Academy of Science and Technology, Rabat 10000, Morocco. 7Institut Néel, CNRS-UJF, 38042 Grenoble cedex 9, France. MS received 26 June 2013; revised 25 December 2013. Abstract. Using ab initio calculations, we predict ...

  20. 40 CFR 98.33 - Calculating GHG emissions.

    Science.gov (United States)

    2010-07-01

    ...)(2)(ii) of this section. MVC = Molar volume conversion factor (849.5 scf per kg-mole at standard... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING General Stationary Fuel Combustion Sources § 98.33 Calculating... volume of fuel combusted per year, from company records as defined in § 98.6 (express mass in short tons...

  1. MCNP and OMEGA criticality calculations

    International Nuclear Information System (INIS)

    Seifert, E.

    1998-04-01

    The reliability of OMEGA criticality calculations is shown by a comparison with calculations by the validated and widely used Monte Carlo code MCNP. The criticality of 16 assemblies with uranium as fissionable is calculated with the codes MCNP (Version 4A, ENDF/B-V cross sections), MCNP (Version 4B, ENDF/B-VI cross sections), and OMEGA. Identical calculation models are used for the three codes. The results are compared mutually and with the experimental criticality of the assemblies. (orig.)

  2. CALCULATION OF LASER CUTTING COSTS

    OpenAIRE

    Bogdan Nedic; Milan Eric; Marijana Aleksijevic

    2016-01-01

    The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, compar...

  3. Transient anisotropic magnetic field calculation

    International Nuclear Information System (INIS)

    Jesenik, Marko; Gorican, Viktor; Trlep, Mladen; Hamler, Anton; Stumberger, Bojan

    2006-01-01

    For anisotropic magnetic material, nonlinear magnetic characteristics of the material are described with magnetization curves for different magnetization directions. The paper presents transient finite element calculation of the magnetic field in the anisotropic magnetic material based on the measured magnetization curves for different magnetization directions. For the verification of the calculation method some results of the calculation are compared with the measurement

  4. Firm Performance and Comply or Explain Disclosure in Corporate Governance

    DEFF Research Database (Denmark)

    Rose, Caspar

    2016-01-01

    This study investigates the degree of Danish firm adherence to the Danish Code of Corporate Governance and analyzes if a higher degree of comply or explain disclosure is related to firm performance. This article formulates a methodology for quantifying the degree of comply or explain disclosure...... there is no impact on performance when increasing compliance with the recommendations on risk management and internal controls. This article demonstrates that these three areas are the ones where Danish firms show the lowest degree of comply or explain disclosure, although the overall adherence to the Danish code...... that soft law may be an efficient way of increasing the quality of corporate governance among listed firms. However, in order to strengthen investor confidence, national code authorities/committees should be more active in penalizing poor explanations as well as cases where firms wrongfully state...

  5. A model for diagnosing and explaining multiple disorders.

    Science.gov (United States)

    Jamieson, P W

    1991-08-01

    The ability to diagnose multiple interacting disorders and explain them in a coherent causal framework has only partially been achieved in medical expert systems. This paper proposes a causal model for diagnosing and explaining multiple disorders whose key elements are: physician-directed hypotheses generation, object-oriented knowledge representation, and novel explanation heuristics. The heuristics modify and link the explanations to make the physician aware of diagnostic complexities. A computer program incorporating the model currently is in use for diagnosing peripheral nerve and muscle disorders. The program successfully diagnoses and explains interactions between diseases in terms of underlying pathophysiologic concepts. The model offers a new architecture for medical domains where reasoning from first principles is difficult but explanation of disease interactions is crucial for the system's operation.

  6. Can human error theory explain non-adherence?

    Science.gov (United States)

    Barber, Nick; Safdar, A; Franklin, Bryoney D

    2005-08-01

    To apply human error theory to explain non-adherence and examine how well it fits. Patients who were taking chronic medication were telephoned and asked whether they had been adhering to their medicine, and if not the reasons were explored and analysed according to a human error theory. Of 105 patients, 87 were contacted by telephone and they took part in the study. Forty-two recalled being non-adherent, 17 of them in the last 7 days; 11 of the 42 were intentionally non-adherent. The errors could be described by human error theory, and it explained unintentional non-adherence well, however, the application of 'rules' was difficult when considering mistakes. The consideration of error producing conditions and latent failures also revealed useful contributing factors. Human error theory offers a new and valuable way of understanding non-adherence, and could inform interventions. However, the theory needs further development to explain intentional non-adherence.

  7. Preeminence and prerequisites of sample size calculations in clinical trials

    Directory of Open Access Journals (Sweden)

    Richa Singhal

    2015-01-01

    Full Text Available The key components while planning a clinical study are the study design, study duration, and sample size. These features are an integral part of planning a clinical trial efficiently, ethically, and cost-effectively. This article describes some of the prerequisites for sample size calculation. It also explains that sample size calculation is different for different study designs. The article in detail describes the sample size calculation for a randomized controlled trial when the primary outcome is a continuous variable and when it is a proportion or a qualitative variable.

  8. Explaining socio-demographic differences in disengagement from sports in adolescence.

    Science.gov (United States)

    Prins, Richard G; Kamphuis, Carlijn B M; van Empelen, Pepijn; Beenackers, Mariëlle A; Brug, Johannes; Mackenbach, Johan P; Oenema, Anke

    2013-10-01

    The purpose of this longitudinal study is to identify risk groups for disengagement from sports during adolescence. In addition, it will be explored whether cognitive and environmental factors can explain socio-demographic differences in disengagement from sports. Data were obtained from the Environmental Determinants of Obesity in Rotterdam Schoolchildren study, and 357 adolescents were eligible for analysis. Socio-demographics (gender, ethnicity, education), individual cognitions and neighbourhood perceptions were assessed at baseline (2005/2006), and sports participation at baseline and at follow-up (2007/2008). Two dichotomous outcome variables were constructed: (i) disengagement from sports (yes/no) and (ii) ceased compliance with the fitnorm (i.e. cease engaging in sports ≥3 times/wk) (yes/no). In logistic regression and mediation analyses, we identified socio-demographic differences in the two outcomes. Subsequently, we applied mediation analyses to identify the contribution of cognitive and environmental explanatory factors of the socio-demographic differences. Girls [odds ratio (OR): 2.5, 95% confidence interval (CI): 1.5-4.5] were more likely than boys to disengage from sports. Girls (OR: 2.5, 95% CI: 1.4-4.2), adolescents of non-Western background (OR: 1.8, 95% CI: 1.0-3.0) and those in lower educational levels (OR: 1.7, 95% CI: 1.0-2.9) were more likely to cease compliance with the fitnorm. Perceived neighbourhood safety partly explained gender differences in disengagement from sports (8%). Intention partly explained ethnical (32%) and educational differences (37%) in ceasing compliance with the fitnorm. Girls, lower-educated adolescents and those with a non-Western background showed more pronounced reductions in sports participation and compliance with the fitnorm. Intention and perceived neighbourhood safety could partially explain these differences.

  9. Explaining the judicial independence of international courts: a comparative analysis

    DEFF Research Database (Denmark)

    Beach, Derek

    What factors allow some international courts (ICs) to rule against the express preferences of powerful member states, whereas others routinely defer to governments? While judicial independence is not the only factor explaining the strength of a given international institution, it is a necessary...... condition. The paper first develops three sets of competing explanatory variables that potentially can explain variations in the judicial independence of ICs. The causal effects of these explanatory variables upon variance in judicial independence are investigated in a comparative analysis of the ACJ, ECJ...

  10. The natural selection of metabolism explains curvature in allometric scaling

    OpenAIRE

    Witting, Lars

    2016-01-01

    I simulate the evolution of metabolism and mass to explain the curvature in the metabolic allometry for placental and marsupial mammals. I assume that the release of inter-specific competition by the extinction of dinosaurs 65 million years ago made it possible for each clade to diversity into a multitude of species across a wide range of niches. The natural selection of metabolism and mass was then fitted to explain the maximum observed body masses over time, as well as the current inter-spe...

  11. EXPLAINING THE MOTHERHOOD WAGE PENALTY DURING THE EARLY OCCUPATIONAL CAREER

    Science.gov (United States)

    STAFF, JEREMY; MORTIMER, JEYLAN T.

    2011-01-01

    Prior research shows that mothers earn lower hourly wages than women without children, and that this maternal wage penalty cannot be fully explained by differences between mothers and other women in work experience and job characteristics. This research examines whether the residual motherhood wage penalty results from differences between mothers and other women in the accumulation of work interruptions and breaks in schooling. Using longitudinal data for 486 women followed from ages 19 to 31 in the Youth Development Study, we find that accumulated months not in the labor force and not enrolled in school explain the residual pay gap between mothers and other women. PMID:22037996

  12. Students' Development and Use of Models to Explain Electrostatic Interactions

    Science.gov (United States)

    Mayer, Kristin Elizabeth

    The National Research Council (2012) recently published A Framework for K-12 Science Education that describes a vision for science classrooms where students engage in three dimensions--scientific and engineering practices, crosscutting concepts, and disciplinary core ideas--to explain phenomena or observations they can make about the universe around them. This vision of science instruction is a significant shift from current classroom instruction. This dissertation provides detailed examples of how students developed and used models to build causal explanations of phenomena. I co-taught classes that focused on having students develop and revise models of electric fields and atomic structure using a curriculum that was designed to align with the three-dimensional vision of learning. I developed case studies of eleven students from these classes. I analyzed the students' responses and interviewed the students throughout the school year. By comparing and contrasting the analysis across the analysis of students' interviews, I identified four themes: 1) students could apply their ideas to explain novel and abstract phenomena; 2) students struggled to connect changes in their atomic models to evidence, but ended up with dynamic models of atomic structure that they could apply to explain phenomena; 3) students developed models of atomic structure that they applied to explain phenomena, but they did not use models of electric fields in this way; and 4) too much focus on details interfered with students' ability to apply their models to explain new phenomena. This dissertation highlights the importance of focusing on phenomena in classrooms that aim at aligning with three-dimensional learning. Students struggled to focus on specific content and apply their ideas to explain phenomena at the same time. In order to apply ideas to new context, students had to shift their focus from recalling ideas to applying the ideas they do have. A focus on phenomena allowed students to show

  13. CNDO/2 calculations for α-oximino-acetoacetanilide thiosemicarbazone and synthesis and characterization of some metal chelates derived from it

    International Nuclear Information System (INIS)

    Patel, P.S.; Ray, A.; Patel, M.M.

    1992-01-01

    Solid complexes of α-oximinoacetoacetanilide thiosemicarbazone (OAATS) with Ni(II), Co(II), Zn(II), Mn(II), Cd(II), Hg(II) and UO 2 (II) have been prepared and characterized on the basis of their elemental analyses, conductivity, differential scanning calorimetry, thermogravimetric analysis, infrared and electronic spectral measurements, in conjunction with magnetic susceptibility measurements. Molecular orbital calculations employing the CNDO/2 method have been made for a number of conformations of the ligand molecule to ascertain the most stable one. (author). 24 refs., 3 figs., 2 tabs

  14. Calculations of polarizabilities and hyperpolarizabilities for the Be+ ion

    International Nuclear Information System (INIS)

    Tang Liyan; Zhang Junyi; Mitroy, J.; Yan Zongchao; Shi Tingyun; Babb, James F.

    2009-01-01

    The polarizabilities and hyperpolarizabilities of the Be + ion in the 2 2 S state and the 2 2 P state are determined. Calculations are performed using two independent methods: (i) variationally determined wave functions using Hylleraas basis set expansions and (ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be + ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-L Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.

  15. Ab initio calculations of cross luminescence materials

    International Nuclear Information System (INIS)

    Kanchana, V.

    2016-01-01

    Abintio calculations have been performed to study the structural, electronic, and optical properties of ABX 3 (A=alkali, B=alkaline-earth, and X=halide) compounds. The ground state properties are calculated using the pseudopotential method with the inclusion of van der Waals interaction, which we find inevitable in reproducing the experimental structure properties in alkali iodides because of its layered structure. All calculations were performed using the Full-Potential Linearized Augmented Plane Wave method. The band structures are plotted with various functionals and we find the newly developed Tran and Blaha modified Becke-Johnson potential to improve the band gap significantly. The optical properties such as complex dielectric function, refractive index, and absorption spectra are calculated which clearly reveal the optically isotropic nature of these materials though being structurally anisotropic, which is the key requirement for ceramic scintillators. Cross luminescence materials are very interesting because of its fast decay. One of the major criteria for the cross luminescence to happen is the energy difference between valence band and next deeper core valence band being lesser when compared to energy gap of the compound, so that radiative electronic transition may occur between valence band and core valence band. We found this criteria to be satisfied in all the studied compounds leading to cross luminescence except for KSrI 3 , RbSrI 3 . The present study suggest that among the six compounds studied, CsSrI 3 , CsMgCl 3 , CsCaCl 3 , and CsSrCl 3 compounds are cross luminescence materials, which is well explained from the band structure, optical properties calculations. Chlorides are better scintillators that iodides and CsMgCl 3 is found to be promising one among the studied compounds. Apart from these materials we have also discussed electronic structure and optical properties of other scintillator compounds. (author)

  16. Accident analysis for PRC-II reactor

    International Nuclear Information System (INIS)

    Wei Yongren; Tang Gang; Wu Qing; Lu Yili; Liu Zhifeng

    1997-12-01

    The computer codes, calculation models, transient results, sensitivity research, design improvement, and safety evaluation used in accident analysis for PRC-II Reactor (The Second Pulsed Reactor in China) are introduced. PRC-II Reactor is built in big populous city, so the public pay close attention to reactor safety. Consequently, Some hypothetical accidents are analyzed. They include an uncontrolled control rod withdrawal at rated power, a pulse rod ejection at rated power, and loss of coolant accident. Calculation model which completely depict the principle and process for each accident is established and the relevant analysis code is developed. This work also includes comprehensive computing and analyzing transients for each accident of PRC-II Reactor; the influences in the reactor safety of all kind of sensitive parameters; evaluating the function of engineered safety feature. The measures to alleviate the consequence of accident are suggested and taken in the construction design of PRC-II Reactor. The properties of reactor safety are comprehensively evaluated. A new advanced calculation model (True Core Uncovered Model) of LOCA of PRC-II Reactor and the relevant code (MCRLOCA) are first put forward

  17. Transport with Astra in TJ-II; Transporte con Astra en TJ-II

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Bruna, D; Castejon, F; Fontdecaba, J M

    2004-07-01

    This report describes the adaptation of the numerical transport shell ASTRA for performing plasma calculations in the TJ-II stellarator device. Firstly, an approximation to the TJ-II geometry is made and a simple transport model is shared with two other codes in order to compare these codes (PROCTR, PRETOR-Stellarator) with ASTRA as calculation tool for TJ-II plasmas are provided: interpretative and predictive transport. The first consists in estimating the transport coefficients from real experimental data, thes being taken from three TJ-II discharges. The predictive facet is illustrated using a model that is able to includes self-consistently thedynamics of transport barriers. The report includes this model, written in the ASTRA programming language, to illustrate the use of ASTRA. (Author) 26 refs.

  18. (II) COMPLEX COMPOUND

    African Journals Online (AJOL)

    user

    electrochemical sensors, as well as in various chromatographic ... were carried out using Jenway pH meter Model 3320 and a conductivity ... Figure 1: the proposed molecular structure of the copper (II) Schiff base complex. M = Cu (II) or Mn (II).

  19. and copper(II)

    Indian Academy of Sciences (India)

    Unknown

    (II) and copper(II)–zinc(II) complexes. SUBODH KUMAR1, R N PATEL1*, P V KHADIKAR1 and. K B PANDEYA2. 1 Department of Chemistry, APS University, Rewa 486 003, India. 2 CSJM University, Kanpur 208 016, India e-mail: (R N Patel) ...

  20. Anisotropic p-f mixing mechanism explaining anomalous magnetic properties in Ce monopnictides

    International Nuclear Information System (INIS)

    Takahashi, H.; Kasuya, T.

    1985-01-01

    The indirect f-f-interaction derived from fourth-order perturbation theory with respect to the p-f mixing is calculated using the valence bands obtained by the APW band calculations. The type of the f-f-interactions is described as the coupling through the symmetry exchange under the cubic crystal field, which cannot be written as a simple bilinear type of 4f spin operator. It is necessary to consider the short-range-ordering effect as well as the non-linear effect of the p-f mixing to explain the fact that a type-I antiferromagnetic ordering is established by the second-order transition in CeBi. (author)

  1. Birth and death of protein domains: A simple model of evolution explains power law behavior

    Directory of Open Access Journals (Sweden)

    Berezovskaya Faina S

    2002-10-01

    models, are considered in details and the distributions of the equilibrium frequencies of domain families of different size are determined for each case. We apply the BDIM formalism to the analysis of the domain family size distributions in prokaryotic and eukaryotic proteomes and show an excellent fit between these empirical data and a particular form of the model, the second-order balanced linear BDIM. Calculation of the parameters of these models suggests surprisingly high innovation rates, comparable to the total domain birth (duplication and elimination rates, particularly for prokaryotic genomes. Conclusions We show that a straightforward model of genome evolution, which does not explicitly include selection, is sufficient to explain the observed distributions of domain family sizes, in which power laws appear as asymptotic. However, for the model to be compatible with the data, there has to be a precise balance between domain birth, death and innovation rates, and this is likely to be maintained by selection. The developed approach is oriented at a mathematical description of evolution of domain composition of proteomes, but a simple reformulation could be applied to models of other evolving networks with preferential attachment.

  2. Do occupational demands explain the educational gradient in health?

    NARCIS (Netherlands)

    Meyer, S.C.; Künn-Nelen, A.C.

    2014-01-01

    The aim of this paper is to investigate to what extent occupation-specific demands explain the relationship between education and health. We concentrate on ergonomic, environmental, psychical, social and time demands. Merging the German Microcensus 2009 data with a dataset including detailed

  3. Thermally-assisted Magma Emplacement Explains Restless Calderas.

    Science.gov (United States)

    Amoruso, Antonella; Crescentini, Luca; D'Antonio, Massimo; Acocella, Valerio

    2017-08-11

    Many calderas show repeated unrest over centuries. Though probably induced by magma, this unique behaviour is not understood and its dynamics remains elusive. To better understand these restless calderas, we interpret deformation data and build thermal models of Campi Flegrei caldera, Italy. Campi Flegrei experienced at least 4 major unrest episodes in the last decades. Our results indicate that the inflation and deflation of magmatic sources at the same location explain most deformation, at least since the build-up of the last 1538 AD eruption. However, such a repeated magma emplacement requires a persistently hot crust. Our thermal models show that this repeated emplacement was assisted by the thermal anomaly created by magma that was intruded at shallow depth ~3 ka before the last eruption. This may explain the persistence of the magmatic sources promoting the restless behaviour of the Campi Flegrei caldera; moreover, it explains the crystallization, re-melting and mixing among compositionally distinct magmas recorded in young volcanic rocks. Our model of thermally-assisted unrest may have a wider applicability, possibly explaining also the dynamics of other restless calderas.

  4. Explaining differences between hospitals in number of organ donors.

    NARCIS (Netherlands)

    Friele, R.D.; Coppen, R.; Marquet, R.L.; Gevers, J.K.M.

    2006-01-01

    The shortage of donor organs calls for a careful examination of all improvement options. In this study, 80 Dutch hospitals were compared. They provided 868 donors in a 5-year period, constituting 91% of all donors in that period in The Netherlands. Multilevel regression analysis was used to explain

  5. Explaining residential moving intentions : the case of highway locations

    NARCIS (Netherlands)

    Hamersma, Marije; Heinen, Eva; Tillema, Taede; Arts, Jos

    2013-01-01

    In this paper Structural Equation Modeling is used to test a theoretical framework to explain the impact of highway externalities (i.e. accessibility and nuisance) on moving intentions of people living close to highways. We aimed to study whether highway externalities (alongside other contextual

  6. Explaining subsidiaries' knowledge-diffusion behaviours within MNEs

    NARCIS (Netherlands)

    Ho, H.C.

    2007-01-01

    This study explores how subsidiaries can contribute their advantages for the whole MNE in knowledge diffusion processes. The research model includes both organisational factors and local resources in a host country to explain subsidiaries' diffusion behaviours. We carried out an online survey for

  7. Recognizing, explaining and countering norm transgressive behaviour on social media

    NARCIS (Netherlands)

    Padje, E.D.H.

    2016-01-01

    In this thesis, it is researched how norm transgressive behaviour exhibited on the Dutch domains of social media can be recognized, explained and countered. An analysis of four comment threads is conducted, of which the comments can be found on the Facebook pages of three Dutch news sites and on a

  8. A Conceptual Characterization of Online Videos Explaining Natural Selection

    Science.gov (United States)

    Bohlin, Gustav; Göransson, Andreas; Höst, Gunnar E.; Tibell, Lena A. E.

    2017-01-01

    Educational videos on the Internet comprise a vast and highly diverse source of information. Online search engines facilitate access to numerous videos claiming to explain natural selection, but little is known about the degree to which the video content match key evolutionary content identified as important in evolution education research. In…

  9. Learning to Apply Models of Materials While Explaining Their Properties

    Science.gov (United States)

    Karpin, Tiia; Juuti, Kalle; Lavonen, Jari

    2014-01-01

    Background: Applying structural models is important to chemistry education at the upper secondary level, but it is considered one of the most difficult topics to learn. Purpose: This study analyses to what extent in designed lessons students learned to apply structural models in explaining the properties and behaviours of various materials.…

  10. Explaining University Students' Effective Use of E-Learning Platforms

    Science.gov (United States)

    Moreno, Valter; Cavazotte, Flavia; Alves, Isabela

    2017-01-01

    Students' success in e-learning programs depends on how they adopt and embed technology into their learning activities. Drawing on the Technology Acceptance Model, we propose a framework to explain students' intention to use e-learning platforms effectively, that is, their intention to fully exploit system's functionalities in leaning processes,…

  11. Explaining e-business adoption - Innovation & entrepreneurship in Dutch SMEs

    NARCIS (Netherlands)

    van der Veen, M.

    2005-01-01

    Explaining e-business adoptionThis dissertation deals with the explanation of e-business adoption in Dutch small and medium sized enterprises. The adoption of e-business plays an important part in making existing business more efficient and effective. Moreover, it is a tool for business development

  12. Do plant traits explain tree seedling survival in bogs?

    NARCIS (Netherlands)

    Limpens, J.; Egmond, van E.; Li, B.; Holmgren, M.

    2013-01-01

    Moss-dominated peat bogs store approximately 30% of global soil carbon. A climate induced shift from current moss-dominated conditions to tree-dominated states is expected to strongly affect their functioning and carbon sequestration capacity. Consequently, unraveling the mechanisms that may explain

  13. Explaining the Effects of Communities of Pastoral Care for Students

    Science.gov (United States)

    Murphy, Joseph; Holste, Linda

    2016-01-01

    This article explains how communities of pastoral care work. It presents an empirically forged theory in action. We examined theoretical and empirical work across the targeted area of personalization for students. We also completed what Hallinger (2012) refers to as "exhaustive review" of the field of school improvement writ large. We…

  14. Which Mechanisms Explain Monetary Returns to International Student Mobility?

    Science.gov (United States)

    Kratz, Fabian; Netz, Nicolai

    2018-01-01

    The authors develop a conceptual framework explaining monetary returns to international student mobility (ISM). Based on data from two German graduate panel surveys, they test this framework using growth curve models and Oaxaca-Blinder decompositions. The results indicate that ISM-experienced graduates enjoy a steeper wage growth after graduation…

  15. Asset pricing puzzles explained by incomplete Brownian equilibria

    DEFF Research Database (Denmark)

    Christensen, Peter Ove; Larsen, Kasper

    We examine a class of Brownian based models which produce tractable incomplete equilibria. The models are based on finitely many investors with heterogeneous exponential utilities over intermediate consumption who receive partially unspanned income. The investors can trade continuously on a finit...... markets. Consequently, our model can simultaneously help explaining the risk-free rate and equity premium puzzles....

  16. Negative plant soil feedback explaining ring formation in clonal plants

    NARCIS (Netherlands)

    Carteni, F.; Marasco, A.; Bonanomi, G.; Mazzoleni, S.; Rietkerk, M.G.; Giannino, F.

    2012-01-01

    Ring shaped patches of clonal plants have been reported in different environments, but the mechanisms underlying such pattern formation are still poorly explained. Water depletion in the inner tussocks zone has been proposed as a possible cause, although ring patterns have been also observed in

  17. Explaining the Origins and Expansion of Mass Education.

    Science.gov (United States)

    Boli, John; And Others

    1985-01-01

    Theories of mass education that emphasize processes of differentiation or the reproduction of inequalities ignore the universal and institutional character of mass education. A theoretical framework emphasizing individualism and the rationalization of individual and collective authority better explains the relationship of mass education to…

  18. Using Culture to Explain Behavior: An Integrative Cultural Approach

    Science.gov (United States)

    Shepherd, Hana R.; Stephens, Nicole M.

    2010-01-01

    While savings rates among low-income families vary greatly, a 2008 National Poverty Center report finds that over 40 percent of low-income families fail to save any money. For decades policy makers and social scientists have sought to explain this phenomenon. Even after accounting for the fact that low-income families have less money to save, why…

  19. Explaining Global Women's Empowerment Using Geographic Inquiry

    Science.gov (United States)

    Grubbs, Melanie R.

    2018-01-01

    It is difficult for students who are just being introduced to major geographical concepts to understand how relatively free countries like India or Mali can have such high levels of human rights abuses as child brides, dowry deaths, and domestic violence. Textbooks explain it and video clips show examples, but it still seems surreal to teenagers…

  20. The Role of Secondary Education in Explaining Competitiveness

    Science.gov (United States)

    Baumann, Chris; Winzar, Hume

    2016-01-01

    The literature establishes that education drives economic performance, but the extent that education is associated with a country's competitiveness is empirically untested. Our study analyses Programme for International Student Assessment (PISA) data from 63 countries to ascertain education's role in explaining the competitiveness of a country.…

  1. Wealth, wages and wedlock : Explaining the college gender gap reversal

    NARCIS (Netherlands)

    Reijnders, Laurie

    2018-01-01

    We study the role of changes in the wage structure and expectations about marriage in explaining the college gender gap reversal. With strongly diminishing marginal utility of wealth and in the presence of a gender wage gap, single women have a greater incentive than single men to invest in

  2. Does Interest rate Exposure explain the Low-Volatility Anomaly?

    NARCIS (Netherlands)

    Driessen, Joost; Kuiper, Ivo; Beilo, R.

    We show that part of the outperformance of low-volatility stocks can be explained by a premium for interest rate exposure. Low-volatility stock portfolios have negative exposure to interest rates, whereas the more volatile stocks have positive exposure. Incorporating an interest rate premium

  3. The Effect of Self-Explaining on Robust Learning

    Science.gov (United States)

    Hausmann, Robert G. M.; VanLehn, Kurt

    2010-01-01

    Self-explaining is a domain-independent learning strategy that generally leads to a robust understanding of the domain material. However, there are two potential explanations for its effectiveness. First, self-explanation generates additional "content" that does not exist in the instructional materials. Second, when compared to…

  4. Teachers mathematical communication profile in explaining subject matter

    Science.gov (United States)

    Umami, Rohmatul; Budayasa, I. Ketut; Suwarsono, St.

    2017-12-01

    This study aimed to see a teachers mathematical communication profile in explaining a subject matter. It is a qualitative research. A high-school junior teacher (i.e., a teacher with 1- to 5-year experience) teaching mathematics at X-Social Class was selected as the subject of this study. The data was collected by observing the teachers mathematical communication in explaining a given material (i.e., the rule of sine) in class and an in-depth interview would be organized respectively. The result showed that the junior teacher explained the subject matter in systematic, complete, fluent, and centered manner. In this case, she began with reminding students on the previous material related to the current material to be learned, informing the current learning objectives, and finally delivering the subject matter. To support her explanation, the teacher also provided some related information, led the students attention into the given material by asking them particular related questions, and did not use any confusing terms. However, the study found that some of high-school teachers still used less appropriate language in explaining materials.

  5. Cultural values: can they explain self-reported health?

    NARCIS (Netherlands)

    Roudijk, B.; Donders, R.; Stalmeier, P.F.

    2017-01-01

    PURPOSE: Self-reported health (SRH) is a measure widely used in health research and population studies. Differences in SRH have been observed between countries and cultural values have been hypothesized to partly explain such differences. Cultural values can be operationalized by two cultural

  6. Towards explaining the speed of k-means

    NARCIS (Netherlands)

    Manthey, Bodo; van de Pol, Jan Cornelis; Raamsdonk, F.; Stoelinga, Mariëlle Ida Antoinette

    2011-01-01

    The $k$-means method is a popular algorithm for clustering, known for its speed in practice. This stands in contrast to its exponential worst-case running-time. To explain the speed of the $k$-means method, a smoothed analysis has been conducted. We sketch this smoothed analysis and a generalization

  7. k-essence explains a Lorentz violation experiment

    International Nuclear Information System (INIS)

    Li Miao; Pang Yi; Wang Yi

    2009-01-01

    Recently, a state of the art experiment shows evidence for Lorentz violation in the gravitational sector. To explain this experiment, we investigate a spontaneous Lorentz violation scenario with a generalized scalar field. We find that when the scalar field is nonminimally coupled to gravity, the Lorentz violation induces a deformation in the Newtonian potential along the direction of Lorentz violation.

  8. Suspicious minds: explaining political cynicism among political journalists in Europe

    NARCIS (Netherlands)

    van Dalen, A.; Albæk, E.; de Vreese, C.

    2011-01-01

    Critics claim that journalists spread a cynical view of politics, as their relation with politicians is characterized by mistrust and hyper-adversarialism. To gain an insight into how cynical journalists themselves are about politics and how this can be explained, this article investigates the role

  9. Juvenile Delinquency Explained? A Test of Containment Theory.

    Science.gov (United States)

    Thompson, William E.; Dodder, Richard A.

    1983-01-01

    Examines the extent to which variation in self-reported delinquency is explained by the seven containment variables (favorable self-concept, goal orientation, frustration tolerance, retention of norms, internalization of rules, availability of meaningful roles, and group reinforcement), and focuses on racial and sex differences in self-reported…

  10. Explaining Choice and Share of Category Requirements of Biologic Meat

    NARCIS (Netherlands)

    P.C. Verhoef (Peter); K. Vlagsma-Brangule (Kristine)

    2003-01-01

    textabstractIn this paper we examine factors determining choice and consumption of biologic or organic meat. In our model explaining choice and share of category requirements, we consider economic/marketing variables (quality, price, and distribution), emotions (fear, empathy, andguilt), social

  11. Explaining the Association between Music Training and Reading in Adults

    Science.gov (United States)

    Swaminathan, Swathi; Schellenberg, E. Glenn; Venkatesan, Kirthika

    2018-01-01

    We sought to clarify whether the positive association between music lessons and reading ability is explained better by shared resources for processing pitch and temporal information, or by general cognitive abilities. Participants were native and nonnative speakers of English with varying levels of music training. We measured reading ability…

  12. Explaining Tevatron leptons photons missing- T events with ...

    Indian Academy of Sciences (India)

    Abstract. The CDF experiment reported a lepton photon missing transverse energy. (/ET) signal 3σ in excess of the standard model prediction in Tevatron Run I data. The excess can be explained by the resonant production of a smuon, which subsequently decays to a muon, a photon and a gravitino. Here, we perform ...

  13. Understanding Electrochemistry Concepts Using the Predict-Observe-Explain Strategy

    Science.gov (United States)

    Karamustafaoglu, Sevilay; Mamlok-Naaman, Rachel

    2015-01-01

    The current study deals with freshman students who study at the Department of Science at the Faculty of Education. The aim of the study was to investigate the effect of teaching electrochemistry concepts using Predict-Observe-Explain (POE) strategy. The study was quasi-experimental design using 20 students each in the experimental group (EG) and…

  14. Modeling Fe II Emission and Revised Fe II (UV) Empirical Templates for the Seyfert 1 Galaxy I Zw 1

    Science.gov (United States)

    Bruhweiler, F.; Verner, E.

    2008-03-01

    We use the narrow-lined broad-line region (BLR) of the Seyfert 1 galaxy, I Zw 1, as a laboratory for modeling the ultraviolet (UV) Fe II 2100-3050 Å emission complex. We calculate a grid of Fe II emission spectra representative of BLR clouds and compare them with the observed I Zw 1 spectrum. Our predicted spectrum for log [nH/(cm -3) ] = 11.0, log [ΦH/(cm -2 s-1) ] = 20.5, and ξ/(1 km s-1) = 20, using Cloudy and an 830 level model atom for Fe II with energies up to 14.06 eV, gives a better fit to the UV Fe II emission than models with fewer levels. Our analysis indicates (1) the observed UV Fe II emission must be corrected for an underlying Fe II pseudocontinuum; (2) Fe II emission peaks can be misidentified as that of other ions in active galactic nuclei (AGNs) with narrow-lined BLRs possibly affecting deduced physical parameters; (3) the shape of 4200-4700 Å Fe II emission in I Zw 1 and other AGNs is a relative indicator of narrow-line region (NLR) and BLR Fe II emission; (4) predicted ratios of Lyα, C III], and Fe II emission relative to Mg II λ2800 agree with extinction corrected observed I Zw 1 fluxes, except for C IV λ1549 (5) the sensitivity of Fe II emission strength to microturbulence ξ casts doubt on existing relative Fe/Mg abundances derived from Fe II (UV)/Mg II flux ratios. Our calculated Fe II emission spectra, suitable for BLRs in AGNs, are available at http://iacs.cua.edu/people/verner/FeII. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 05-26555.

  15. The decline and fall of Type II error rates

    Science.gov (United States)

    Steve Verrill; Mark Durst

    2005-01-01

    For general linear models with normally distributed random errors, the probability of a Type II error decreases exponentially as a function of sample size. This potentially rapid decline reemphasizes the importance of performing power calculations.

  16. Explaining contributions to public goods : Formalizing the social exchange heuristic

    NARCIS (Netherlands)

    Dijkstra, J.

    The public good game is a popular model of cooperation problems. Rational egoism predicts that in finitely repeated public good games no contributions are made. At least 4 observations are inconsistent with this prediction: contributions (i) are frequently positive, (ii) increase in the marginal

  17. Explaining Support Vector Machines: A Color Based Nomogram.

    Directory of Open Access Journals (Sweden)

    Vanya Van Belle

    Full Text Available Support vector machines (SVMs are very popular tools for classification, regression and other problems. Due to the large choice of kernels they can be applied with, a large variety of data can be analysed using these tools. Machine learning thanks its popularity to the good performance of the resulting models. However, interpreting the models is far from obvious, especially when non-linear kernels are used. Hence, the methods are used as black boxes. As a consequence, the use of SVMs is less supported in areas where interpretability is important and where people are held responsible for the decisions made by models.In this work, we investigate whether SVMs using linear, polynomial and RBF kernels can be explained such that interpretations for model-based decisions can be provided. We further indicate when SVMs can be explained and in which situations interpretation of SVMs is (hitherto not possible. Here, explainability is defined as the ability to produce the final decision based on a sum of contributions which depend on one single or at most two input variables.Our experiments on simulated and real-life data show that explainability of an SVM depends on the chosen parameter values (degree of polynomial kernel, width of RBF kernel and regularization constant. When several combinations of parameter values yield the same cross-validation performance, combinations with a lower polynomial degree or a larger kernel width have a higher chance of being explainable.This work summarizes SVM classifiers obtained with linear, polynomial and RBF kernels in a single plot. Linear and polynomial kernels up to the second degree are represented exactly. For other kernels an indication of the reliability of the approximation is presented. The complete methodology is available as an R package and two apps and a movie are provided to illustrate the possibilities offered by the method.

  18. General-purpose software for science technology calculation

    International Nuclear Information System (INIS)

    Aikawa, Hiroshi

    1999-01-01

    We have developed many general-purpose softwares for parallel processing of science technology calculation. This paper reported six softwares such as STA (Seamless Thinking Aid) basic soft, parallel numerical computation library, grid formation software for parallel computer, real-time visualizing system, parallel benchmark test system and object-oriented parallel programing method. STA is a user interface software to perform a total environment for parallel programing, a network computing environment for various parallel computers and a desktop computing environment via Web. Some examples using the above softwares are explained. One of them is a simultaneous parallel calculation of both analysis of flow and structure of supersonic transport to design of them. The other is various kinds of computer parallel calculations for nuclear fusion reaction such as a molecular dynamic calculation and a calculation of reactor structure and fluid. These softs are opened to the public by the home page {http://guide.tokai.jaeri.go.jp/ccse/}. (S.Y.)

  19. Pius II. a utrakvismus

    OpenAIRE

    Šimek, Milan

    2009-01-01

    Milan Šimek Pius II. a utrakvismus Pius II. and utraquism Based on sources work - out, the thesis aims the description and analysis of the attitude alternation of Enea Sylvio Piccolomini - Pius II to the utraquism. The conclusions stress the postulate that Pius II. did not change that attitude, but just did not succed in quelling the utraquist movement. In the sense of political background that finally led to fatal dissention among both leaders, king Jiří of Poděbrady and pope Pius II.

  20. Complete amino acid sequence of a Lolium perenne (perennial rye grass) pollen allergen, Lol p II.

    Science.gov (United States)

    Ansari, A A; Shenbagamurthi, P; Marsh, D G

    1989-07-05

    The complete amino acid sequence of a Lolium perenne (rye grass) pollen allergen, Lol p II was determined by automated Edman degradation of the protein and selected fragments. Cleavage of the protein by enzymatic and chemical techniques established an unambiguous sequence for the protein. Lol p II contains 97 amino acid residues, with a calculated molecular weight of 10,882. The protein lacks cysteine and glutamine and shows no evidence of glycosylation. Theoretical predictions by Fraga's (Fraga, S. (1982) Can. J. Chem. 60, 2606-2610) and Hopp and Woods' (Hopp, T. P., and Woods, K. R. (1981) Proc. Natl. Acad. Sci. U.S.A. 78, 3824-3828) methods indicate the presence of four hydrophilic regions, which may contribute to sequential or parts of conformational B-cell epitopes. Analysis of amphipathic regions by Berzofsky's method indicates the presence of a highly amphipathic region, which may contain, or contribute to, an Ia/T-cell epitope. This latter segment of Lol p II was found to be highly homologous with an antibody-binding segment of the major rye allergen Lol p I and may explain why immune responsiveness to both the allergens is associated with HLA-DR3.