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Sample records for interacting-boson-approximation calculations experimental

  1. Gyromagnetic ratios of excited states in 198Pt; measurements and interacting boson approximation model calculations

    Science.gov (United States)

    Stuchbery, A. E.; Ryan, C. G.; Bolotin, H. H.; Morrison, I.; Sie, S. H.

    1981-07-01

    The enhanced transient hyperfine field manifest at the nuclei of swiftly recoiling ions traversing magnetized ferromagnetic materials was utilized to measure the gyromagnetic ratios of the 2 +1, 2 +2 and 4 +1 states in 198Pt by the thin-foil technique. The states of interest were populated by Coulomb excitation using a beam of 220 MeV 58Ni ions. The results obtained were: g(2 +1) = 0.324 ± 0.026; g(2 +2) = 0.34 ± 0.06; g(4 +1) = 0.34 ± 0.06. In addition, these measurements served to discriminate between the otherwise essentially equally probable values previously reported for the E2/M1 ratio of the 2 +2 → 2 +1 transition in 198Pt. We also performed interacting boson approximation (IBA) model-based calculations in the O(6) limit symmetry, with and without inclusion of a small degree of symmetry breaking, and employed the M1 operator in both first- and second-order to obtain M1 selection rules and to calculate gyromagnetic ratios of levels. When O(6) symmetry is broken, there is a predicted departure from constancy of the g-factors which provides a good test of the nuclear wave function. Evaluative comparisons are made between these experimental and predicted g-factors.

  2. Structure of Even-Even 218-230 Ra Isotopes within the Interacting Boson Approximation Model

    Directory of Open Access Journals (Sweden)

    Diab S. M.

    2008-01-01

    Full Text Available A good description of the excited positive and negative parity states of radium nuclei (Z=88, N=130-142 is achieved using the interacting boson approximation model (IBA-1. The potential energy surfaces, energy levels, parity shift, electromagnetic transition rates B(E1, B(E2 and electric monopole strength X(E0/E2 are calculated for each nucleus. The analysis of the eigenvalues of the model Hamiltonian reveals the presence of an interaction between the positive and negative parity bands. Due to this interaction the $Delta I = 1$ staggering effect, between the energies of the ground state band and the negative parity state band, is produced including beat patterns.

  3. The interacting boson approximation and the spectroscopy of the even Cadmium and Tin isotopes

    International Nuclear Information System (INIS)

    Morrison, I.; Smith, R.

    1981-01-01

    Within the framework of the Interacting Boson Approximation (IBA), the authors investigate, using the even-mass isotopes Cd 108 to Cd 116 and Sn 116 to Sn 124 , whether a single two-boson interaction can describe the energy, B(E2), quadrupole moment and some inelastic nucleon scattering systematics of these nuclei

  4. Lifetimes of excited states in 196, 198Pt; Application of interacting boson approximation model to even Pt isotopes systematics

    Science.gov (United States)

    Bolotin, H. H.; Stuchbery, A. E.; Morrison, I.; Kennedy, D. L.; Ryan, C. G.; Sie, S. H.

    1981-11-01

    The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 1+ levels in 196, 198Pt were determined by the recoil-distance method (RDM). Gamma-ray angular distributions in 198Pt were also measured. These states were populated by multiple Coulomb excitation using 220 MeV 58Ni ion beams and the measurements were carried out in coincidence with back-scattered projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even 194-198Pt isotopes, are critically compared with our structure calculations employing the interacting boson approximation (IBA) model incorporating a symmetry-breaking quadrupole force; evaluative comparisons are also made with boson expansion theory (BET) calculations.

  5. Lifetimes of excited states in 196,198Pt; application of interacting boson approximation model to even Pt isotopes systematics

    International Nuclear Information System (INIS)

    Bolotin, H.H.; Stuchbery, A.E.; Morrison, I.; Kennedy, D.L.; Ryan, C.G.; Sie, S.H.

    1981-01-01

    The lifetimes and lifetime limits of the low-lying excited states up to and including the 6 + 1 levels in sup(196, 198)Pt were determined by the recoil-distance method (RDM). Gamma-ray angular distributions in 198 Pt were also measured. These states were populated by multiple Coulomb excitation using 220 MeV 58 Ni ion beams and the measurements were carried out in coincidence with backscattering projectiles. The measured mean lives of the states and B(E2) values inferred for the transitions between levels are presented. These specific findings, and the observed structure systematics obtained from the combination of the present results and those of prior workers for the even sup(194-198)Pt isotopes, are critically compared with our structure calculations employing the interacting boson approximation (IBA) model incorporating a symmetry-breaking quadrupole force; evaluative comparisons are also made with boson expansion theory (BET) calculations. (orig.)

  6. Elements of the interacting boson approximation

    International Nuclear Information System (INIS)

    Cseh, Jozsef

    1985-01-01

    The main features of the interacting boson model family are briefly summarized. The main tool of the model is the group theory; its basic useful results (symmetry groups, spectrum generating algebra, dynamic groups and symmetries, tensor representations, broken symmetries, subgroup chains) are summarized. The emission and annihilation operators of the individual boson degrees of freedom form a U(n) algebra. Its reprezentation theory can be used to classify the basic states and energy levels of the system. A simple variant of the interacting boson model is analyzed in detail. The genealogy of different interacting boson models from vibron model to supersymmetric ones is surveyed. (D.Gy.)

  7. 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

  8. HTC Experimental Program: Validation and Calculational Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Fernex, F.; Ivanova, T.; Bernard, F.; Letang, E. [Inst Radioprotect and Surete Nucl, F-92262 Fontenay Aux Roses (France); Fouillaud, P. [CEA Valduc, Serv Rech Neutron and Critcite, 21 - Is-sur-Tille (France); Thro, J. F. [AREVA NC, F-78000 Versailles (France)

    2009-05-15

    In the 1980's a series of the Haut Taux de Combustion (HTC) critical experiments with fuel pins in a water-moderated lattice was conducted at the Apparatus B experimental facility in Valduc (Commissariat a I'Energie Atomique, France) with the support of the Institut de Radioprotection et de Surete Nucleaire and AREVA NC. Four series of experiments were designed to assess profit associated with actinide-only burnup credit in the criticality safety evaluation for fuel handling, pool storage, and spent-fuel cask conditions. The HTC rods, specifically fabricated for the experiments, simulated typical pressurized water reactor uranium oxide spent fuel that had an initial enrichment of 4. 5 wt% {sup 235}U and was burned to 37.5 GWd/tonne U. The configurations have been modeled with the CRISTAL criticality package and SCALE 5.1 code system. Sensitivity/uncertainty analysis has been employed to evaluate the HTC experiments and to study their applicability for validation of burnup credit calculations. This paper presents the experimental program, the principal results of the experiment evaluation, and modeling. The HTC data applicability to burnup credit validation is demonstrated with an example of spent-fuel storage models. (authors)

  9. Comparison of TRAC calculations with experimental data

    International Nuclear Information System (INIS)

    Jackson, J.F.; Vigil, J.C.

    1980-01-01

    TRAC is an advanced best-estimate computer code for analyzing postulated accidents in light water reactors. This paper gives a brief description of the code followed by comparisons of TRAC calculations with data from a variety of separate-effects, system-effects, and integral experiments. Based on these comparisons, the capabilities and limitations of the early versions of TRAC are evaluated

  10. Experimental verification of stored energy calculations

    International Nuclear Information System (INIS)

    Hann, C.R.; Christensen, J.A.; Lanning, D.D.; Marshall, R.K.; Williford, R.E.

    1975-01-01

    A description is provided of irradiation tests designed to provide data needed to verify existing steady state fuel performance codes. The tests are being conducted in the Halden Reactor, and are designed to provide data pertinent to stored energy calculations over a range of linear heat ratings utilized in contemporary power reactors

  11. Standard Model theory calculations and experimental tests

    International Nuclear Information System (INIS)

    Cacciari, M.; Hamel de Monchenault, G.

    2015-01-01

    To present knowledge, all the physics at the Large Hadron Collider (LHC) can be described in the framework of the Standard Model (SM) of particle physics. Indeed the newly discovered Higgs boson with a mass close to 125 GeV seems to confirm the predictions of the SM. Thus, besides looking for direct manifestations of the physics beyond the SM, one of the primary missions of the LHC is to perform ever more stringent tests of the SM. This requires not only improved theoretical developments to produce testable predictions and provide experiments with reliable event generators, but also sophisticated analyses techniques to overcome the formidable experimental environment of the LHC and perform precision measurements. In the first section, we describe the state of the art of the theoretical tools and event generators that are used to provide predictions for the production cross sections of the processes of interest. In section 2, inclusive cross section measurements with jets, leptons and vector bosons are presented. Examples of differential cross sections, charge asymmetries and the study of lepton pairs are proposed in section 3. Finally, in section 4, we report studies on the multiple production of gauge bosons and constraints on anomalous gauge couplings

  12. Broken-pair, generalized seniority and interacting boson approximations in a spectroscopic study of Sn nuclei

    International Nuclear Information System (INIS)

    Bonsignori, K.; Allaart, K.; Egmond, A. van

    1983-01-01

    A broken-pair study of Sn nuclei is reported in which the model space includes two broken pair states. It is shown that for even Sn nuclei, with a rather simple Gaussian interaction and with single-particle-energies derived from data on odd nuclei, the main features of the excitation spectra up to about 3.5 MeV may be reproduced in this way. The idea of the generalized seniority scheme, that the composition of S-pair operator and that of the D-pair operator may be independent of the total number of pairs, is confirmed by the pair structures which result from energy minimization and diagonalization for each number of pairs separately. A general procedure is described to derive IBA parameters when the valence orbits are nondegenerate. Numerical results for Sn nuclei are given. (U.K.)

  13. Survey of experimental tests of the IBA model

    International Nuclear Information System (INIS)

    Casten, R.F.

    1980-01-01

    A survey of experimental tests of the Interacting Boson Approximation (IBA) Model is presented covering even and odd mass nuclei in the region from A approx. 80 to A approx. 230. Both positive and negative parity states with both high and low spin are discussed. Topics included concern energy levels, electromagnetic transition rates, two nucleon transfer and inelastic scattering. Special attention is given to nuclear symmetries and transitional regions. Comparison with other models is made where appropriate. The distinction between IBA-1 and IBA-2 is discussed including their respective areas of applicability

  14. Gyromagnetic ratios of low-lying excited states in the even 192-198Pt isotopes; experimental measurements and theoretical predictions

    International Nuclear Information System (INIS)

    Stuchbery, A.E.; Ryan, C.G.; Morrison, I.; Bolotin, H.H.

    1981-01-01

    The gyromagnetic ratios of the 2 2 + and 4 1 + states in 196 Pt were measured relative to that of its 2 1 + level. The thin-foil IMPAC technique was employed utilizing the enhanced transient hyperfine magnetic field present at the nuclei of swiftly recoiling ions traversing magnetized ferromagetic materials. The states of interest were populated by Coulomb excitation using beams of 220-MeV 58 Ni ions. For g(2 1 + ) taken as 0.326+-0.014, the present measurements yielded g(2 2 + ) = 0.30+-0.06 and g(4 1 + ) 0.30+-0.05. These results and those reported by prior workers for the g-factors of corresponding levels in 192 Pt, 194 Pt, 198 Pt are used to trace the systematics of the magnetic moments of these low-lying levels in the even 192 - 198 Pt isotopes. Interacting Boson Approximation model-based calculations of the g-factors of these states were also carried out. The experimental theoretical results are compared

  15. Annular tautomerism: experimental observations and quantum mechanics calculations

    Science.gov (United States)

    Cruz-Cabeza, Aurora J.; Schreyer, Adrian; Pitt, William R.

    2010-06-01

    The use of MP2 level quantum mechanical (QM) calculations on isolated heteroaromatic ring systems for the prediction of the tautomeric propensities of whole molecules in a crystalline environment was examined. A Polarisable Continuum Model was used in the calculations to account for environment effects on the tautomeric relative stabilities. The calculated relative energies of tautomers were compared to relative abundances within the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB). The work was focussed on 84 annular tautomeric forms of 34 common ring systems. Good agreement was found between the calculations and the experimental data even if the quantity of these data was limited in many cases. The QM results were compared to those produced by much faster semiempirical calculations. In a search for other sources of the useful experimental data, the relative numbers of known compounds in which prototropic positions were often substituted by heavy atoms were also analysed. A scheme which groups all annular tautomeric transformations into 10 classes was developed. The scheme was designed to encompass a comprehensive set of known and theoretically possible tautomeric ring systems generated as part of a previous study. General trends across analogous ring systems were detected as a result. The calculations and statistics collected on crystallographic data as well as the general trends observed should be useful for the better modelling of annular tautomerism in the applications such as computer-aided drug design, small molecule crystal structure prediction, the naming of compounds and the interpretation of protein—small molecule crystal structures.

  16. Experimental evaluation of analytical penumbra calculation model for wobbled beams

    International Nuclear Information System (INIS)

    Kohno, Ryosuke; Kanematsu, Nobuyuki; Yusa, Ken; Kanai, Tatsuaki

    2004-01-01

    The goal of radiotherapy is not only to apply a high radiation dose to a tumor, but also to avoid side effects in the surrounding healthy tissue. Therefore, it is important for carbon-ion treatment planning to calculate accurately the effects of the lateral penumbra. In this article, for wobbled beams under various irradiation conditions, we focus on the lateral penumbras at several aperture positions of one side leaf of the multileaf collimator. The penumbras predicted by an analytical penumbra calculation model were compared with the measured results. The results calculated by the model for various conditions agreed well with the experimental ones. In conclusion, we found that the analytical penumbra calculation model could predict accurately the measured results for wobbled beams and it was useful for carbon-ion treatment planning to apply the model

  17. Recent experimental results on level densities for compound reaction calculations

    International Nuclear Information System (INIS)

    Voinov, A.V.

    2012-01-01

    There is a problem related to the choice of the level density input for Hauser-Feshbach model calculations. Modern computer codes have several options to choose from but it is not clear which of them has to be used in some particular cases. Availability of many options helps to describe existing experimental data but it creates problems when it comes to predictions. Traditionally, different level density systematics are based on experimental data from neutron resonance spacing which are available for a limited spin interval and one parity only. On the other hand reaction cross section calculations use the total level density. This can create large uncertainties when converting the neutron resonance spacing to the total level density that results in sizable uncertainties in cross section calculations. It is clear now that total level densities need to be studied experimentally in a systematic manner. Such information can be obtained only from spectra of compound nuclear reactions. The question is does level densities obtained from compound nuclear reactions keep the same regularities as level densities obtained from neutron resonances- Are they consistent- We measured level densities of 59-64 Ni isotopes from proton evaporation spectra of 6,7 Li induced reactions. Experimental data are presented. Conclusions of how level density depends on the neutron number and on the degree of proximity to the closed shell ( 56 Ni) are drawn. The level density parameters have been compared with parameters obtained from the analysis of neutron resonances and from model predictions

  18. Alternative methodology for irradiation reactor experimental shielding calculation

    International Nuclear Information System (INIS)

    Vellozo, Sergio de Oliveira; Vital, Helio de Carvalho

    1996-01-01

    Due to a change in the project of the Experimental Irradiation Reactor, its shielding design had to be recalculated according to an alternative simplified analytical approach, since the standard transport calculations were temporarily unavailable. In the calculation of the new width for the shielding made up of steel and high-density concrete layers, the following radiation components were considered: fast neutrons and primary gammas (produced by fission and beta decay), from the core; and secondary gammas, produced by thermal neutron capture in the shielding. (author)

  19. Experimental verification of internal dosimetry calculations. Annual progress report

    International Nuclear Information System (INIS)

    1980-05-01

    During the past year a dosimetry research program has been established in the School of Nuclear Engineering at the Georgia Institute of Technology. The major objective of this program has been to provide research results upon which a useful internal dosimetry system could be based. The important application of this dosimetry system will be the experimental verification of internal dosimetry calculations such as those published by the MIRD Committee

  20. Experimental and calculated calibration of ionization chambers with air circulation

    CERN Document Server

    Peetermans, A

    1972-01-01

    The reports describes the method followed in order to calibrate the different ionization chambers with air circulation, used by the 'Health Physics Group'. The calculations agree more precisely with isotopes cited previously (/sup 11/C, /sup 13/N, /sup 15/O, /sup 41 /Ar, /sup 14/O, /sup 38/Cl) as well as for /sup 85/Kr, /sup 133/Xe, /sup 14/C and tritium which are used for the experimental standardisation of different chambers.

  1. Calculation and experimental investigation of multi-component ceramic systems

    International Nuclear Information System (INIS)

    Rother, M.

    1994-12-01

    This work shows a way to combine thermodynamic calculations and experiments in order to get useful information on the constitution of metal/non-metal systems. Many data from literature are critically evaluated and used as a basis for experiments and calculations. The following multi-component systems are treated: 1. Multi-component systems of 'ceramic' materials with partially metallic bonding (carbides, nitrides, oxides, borides, carbonitrides, borocarbides, oxinitrides of the 4-8th transition group metals) 2. multi-component systems of non-metallic materials with dominant covalent bonding (SiC, Si 3 N 4 , SiB 6 , BN, Al 4 C 3 , Be 2 C) 3. multi-component systems of non-metallic materials with dominant heteropolar bonding (Al 2 O 3 , TiO 2 , BeO, SiO 2 , ZrO 2 ). The interactions between 1. and 2., 2. and 3., 1. and 3. are also considered. The latest commercially available programmes for the calculation of thermodynamical equilibria and phase diagrams are evaluated and compared considering their facilities and limits. New phase diagrams are presented for many presently unknown multi-component systems; partly known systems are completed on the basis of selected thermodynamic data. The calculations are verified by experimental investigations (metallurgical and powder technology methods). Altogether 690 systems are evaluated, 126 are calculated for the first time and 52 systems are experimentally verified. New data for 60 ternary phases are elaborated by estimating the data limits for the Gibbs energy values. A synthesis of critical evaluation of literature, calculations and experiments leads to new important information about equilibria and reaction behaviour in multi-component systems. This information is necessary to develop new stable and metastable materials. (orig./MM) [de

  2. Contribution to the experimental qualification of PWR fuel storage calculations

    International Nuclear Information System (INIS)

    Marsault, Philippe.

    1980-12-01

    Experiments were carried out on assemblies representative of those used in PWR reactors in a configuration made critical with a driver zone. In this way, certain parameters were able to be measured using current classical techniques. As the multiplication factor for a group of assemblies cannot be determined directly, substitutions were made with an equivalent homogeneous lattice in which Laplacian measurements could be made. The k(infinite) factor was obtained by introducing a migration area which can only be obtained from calculations. Experimental storage studies realized during the CRISTO 1 campaign utilize: 1) a lattice with 4 14x14 pin assemblies immersed in ordinary water; 2) a lattice with 4 14x14 pin assemblies and 3) a regular lattice. The CRISTO experiment enabled criticality calculations to be qualified with these lattices for storage under accidental conditions [fr

  3. Experimental validation of calculated atomic charges in ionic liquids

    Science.gov (United States)

    Fogarty, Richard M.; Matthews, Richard P.; Ashworth, Claire R.; Brandt-Talbot, Agnieszka; Palgrave, Robert G.; Bourne, Richard A.; Vander Hoogerstraete, Tom; Hunt, Patricia A.; Lovelock, Kevin R. J.

    2018-05-01

    A combination of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure spectroscopy has been used to provide an experimental measure of nitrogen atomic charges in nine ionic liquids (ILs). These experimental results are used to validate charges calculated with three computational methods: charges from electrostatic potentials using a grid-based method (ChelpG), natural bond orbital population analysis, and the atoms in molecules approach. By combining these results with those from a previous study on sulfur, we find that ChelpG charges provide the best description of the charge distribution in ILs. However, we find that ChelpG charges can lead to significant conformational dependence and therefore advise that small differences in ChelpG charges (<0.3 e) should be interpreted with care. We use these validated charges to provide physical insight into nitrogen atomic charges for the ILs probed.

  4. 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

  5. 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

  6. Experimental verification of numerical calculations of railway passenger seats

    Science.gov (United States)

    Ligaj, B.; Wirwicki, M.; Karolewska, K.; Jasińska, A.

    2018-04-01

    The construction of railway seats is based on industry regulations and the requirements of end users, i.e. passengers. The two main documents in this context are the UIC 566 (3rd Edition, dated 7 January 1994) and the EN 12663-1: 2010+A1:2014. The study was to carry out static load tests of passenger seat frames. The paper presents the construction of the test bench and the results of experimental and numerical studies of passenger seat rail frames. The test bench consists of a frame, a transverse beam, two electric cylinders with a force value of 6 kN, and a strain gauge amplifier. It has a modular structure that allows for its expansion depending on the structure of the seats. Comparing experimental results with numerical results for points A and B allowed to determine the existing differences. It follows from it that higher stress values are obtained by numerical calculations in the range of 0.2 MPa to 35.9 MPa.

  7. Calculation results and experimental testing of doppler feedback coefficients

    International Nuclear Information System (INIS)

    Yang Shunhai

    1989-01-01

    The Doppler feedback coefficients are calculated by the interpolation and group collapsing method from multigroup self-shielding factors and infinite dilution cross sections rather than effective resonance integrals by using resonance data base. Since many updated sets of multigroup data are in existence to be selected, the calculation process can be simplified. The heterogeneous effects are taken into account by equivalence relation. The computer code of Doppler feedback coefficients is created on computer CYBER-825 and PDP-11. The results calculated are in good agreement with the experiments

  8. Quantum Chemical Calculations and Experimental Investigations of Molecular Actinide Oxides

    NARCIS (Netherlands)

    Kovács, Attila; Konings, Rudy J. M.; Gibson, John K.; Infante, Ivan; Gagliardi, Laura

    2015-01-01

    The available experimental and theoretical information on gaseous actinide oxides covering both the neutral and the ionic species are reviewed. The ground-state electronic structures of the oxides of An = Th-Cm have been obtained by the well-tested SOCASPT2 method, and therefore they are very likely

  9. Calculation-experimental method justifies the life of wagons

    Directory of Open Access Journals (Sweden)

    Валерія Сергіївна Воропай

    2015-11-01

    Full Text Available The article proposed a method to evaluate the technical state of tank wagons operating in chemical industry. An algorithm for evaluation the technical state of tank wagons was developed, that makes it possible on the basis of diagnosis and analysis of current condition to justify a further period of operation. The complex of works on testing the tanks and mathematical models for calculations of the design strength and reliability were proposed. The article is devoted to solving the problem of effective exploitation of the working fleet of tank wagons. Opportunities for further exploitation of cars, the complex of works on the assessment of their technical state and the calculation of the resources have been proposed in the article. Engineering research of the chemical industries park has reduced the shortage of the rolling stock for transportation of ammonia. The analysis of the chassis numerous faults and the main elements of tank wagons supporting structure after 20 years of exploitation was made. The algorithm of determining the residual life of the specialized tank wagons operating in an industrial plant has been proposed. The procedure for resource conservation of tank wagons carrying cargo under high pressure was first proposed. The improved procedure for identifying residual life proposed in the article has both theoretical and practical importance

  10. Efficiency calculation on 10 MW experimental steam turbine

    Directory of Open Access Journals (Sweden)

    Hoznedl Michal

    2018-01-01

    Full Text Available The paper deals with defining flow path efficiency of an experimental steam turbine by using measurement of flow, torque, pressures and temperatures. The configuration of the steam turbine flow path is briefly described. Measuring points and devices are defined. The paper indicates the advantages as well as disadvantages of flow path efficiency measurement using enthalpy and torque on the shaft. The efficiency evaluation by the help pressure and temperature measurement is influenced by flow parameter distribution and can provide different values of flow path efficiency. The efficiency determination by using of torque and mass flow measurement is more accurate and it is recommended for using. The disadvantage is relatively very complicated and expensive measuring system.

  11. Experimental investigation and thermodynamic calculations of the Bi–In–Ni phase diagram

    International Nuclear Information System (INIS)

    Premović, Milena; Minić, Duško; Manasijević, Dragan; Ćosović, Vladan; Živković, Dragana; Dervišević, Irma

    2015-01-01

    Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of several vertical sections. • Calculated horizontal section, confirmed by experimental SEM–EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Bi–In–Ni system. - Abstract: Phase diagram of the Bi–In–Ni ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and X-ray powder diffraction (XRD) analysis. Experimentally obtained results were compared with the results of thermodynamic calculation of phase equilibria based on calculation of phase diagram (CALPHAD) method and literature data. Phase transition temperatures of alloys with overall compositions along three selected vertical sections In–Bi 0.8 Ni 0.2 , x(Bi) = 0.6 and Bi–In 0.5 Ni 0.5 were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 100 °C, 300 °C and 350 °C was carried out using SEM–EDS and XRD methods. The obtained results were compared with the calculated isothermal sections of the Bi–In–Ni ternary system at corresponding temperatures. Calculated liquidus projection and invariant equilibria of the Bi–In–Ni ternary system were presented

  12. Comparison of calculated and experimental characteristics of MHD flow between a rotaing disk and stationary disks

    International Nuclear Information System (INIS)

    Vasil'ev, S.A.; Dovganchuk, I.I.; Sozinov, Y.A.

    1988-01-01

    The laminar flow of a liquid metal in the clearance between rotating disks is examined in an axial magnetic field. A comparison is made between the experimental and calculated values of the potential difference

  13. The experimental viscosity and calculated relative viscosity of liquid In-Sn allcoys

    International Nuclear Information System (INIS)

    Wu, A.Q.; Guo, L.J.; Liu, C.S.; Jia, E.G.; Zhu, Z.G.

    2007-01-01

    The experimental measured viscosity of liquid pure Sn, In 20 Sn 80 and In 80 Sn 20 alloys was studied, and to make a comparison, the calculated relative viscosity based on the pair distribution functions, g(r), has also been studied. There is one peak in each experimental viscosity and calculated relative-viscosity curve of liquid pure Sn about 1000 deg. C. One valley appears in each experimental viscosity and calculated viscosity curve of liquid In 20 Sn 80 alloy about 700 deg. C. There is no abnormal behavior on In 80 Sn 20 alloy. The behavior of experimental viscosity and calculated relative viscosity is coincident with each other. Those results conformed that the temperature-induced structure anomalies reported before did take place

  14. Two dimensional neutron transport calculation system for plate-reactors: experimental design and qualification with SILOE

    International Nuclear Information System (INIS)

    Roussos, N.

    1982-01-01

    The main objective of this work is to create a neutronic calculations system for the SILOE-SILOETTE reactors, adaptable to other types of plate reactors. The author presents the methodology and the development of the APOLLO 1D (99 gr.) calculations for the creation of cross sections libraries. After a recall of the Discrete Ordinate Method (DOT), the method accuracy is studied in order to optimize the spatial discretization of the calculations; calculations of DOT 3.5 and of SILOETTE core are conducted and their convergence and costs are examined. DOT calculations of SILOETTE and experimental tests results are then compared [fr

  15. Experimental investigation and thermodynamic calculations of the Ag–Bi–Ga phase diagram

    International Nuclear Information System (INIS)

    Minić, Duško; Premović, Milena; Manasijević, Dragan; Ćosović, Vladan; Živković, Dragana; Marković, Aleksandar

    2015-01-01

    Phase diagram of the Ag–Bi–Ga ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and x-ray powder diffraction (XRD) methods. Experimentally obtained results were compared with the results of thermodynamic prediction of phase equilibria based on calculation of phase diagram (CALPHAD) method. Phase transition temperatures of alloys with overall compositions along three selected vertical sections Ag–Bi 50 Ga 50 , Bi–Ag 50 Ga 50 and Ga–Ag 50 Bi 50 were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 200 °C was carried out using SEM-EDS and XRD methods. Obtained results were compared with the calculated isothermal section of the Ag–Bi–Ga ternary system at corresponding temperature. Calculated liquidus projection and invariant equilibria of the Ag–Bi–Ga ternary system were presented. The obtained values were found to be in a close agreement. - Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of three vertical sections Ag–Bi 50 Ga 50 , Bi–Ag 50 Ga 50 and Ga–Ag 50 Bi 50 . • Calculated horizontal section at 200 °C, confirmed by experimental SEM-EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Ag–Bi–Ga system

  16. Experimental method for calculation of effective doses in interventional radiology; Metodo experimental para calculo de dosis efectivas en radiologia intervencionista

    Energy Technology Data Exchange (ETDEWEB)

    Herraiz Lblanca, M. D.; Diaz Romero, F.; Casares Magaz, O.; Garrido Breton, C.; Catalan Acosta, A.; Hernandez Armas, J.

    2013-07-01

    This paper proposes a method that allows you to calculate the effective dose in any interventional radiology procedure using an anthropomorphic mannequin Alderson RANDO and dosimeters TLD 100 chip. This method has been applied to an angio Radiology procedure: the biliary drainage. The objectives that have been proposed are: to) put together a method that, on an experimental basis, allows to know dosis en organs to calculate effective dose in complex procedures and b) apply the method to the calculation of the effective dose of biliary drainage. (Author)

  17. Calculator for the correction of the experimental specific migration for comparison with the legislative limit

    DEFF Research Database (Denmark)

    Petersen, Jens Højslev; Hoekstra, Eddo J.

    The EURL-NRL-FCM Taskforce on the Fourth Amendment of the Plastic Directive 2002/72/EC developed a calculator for the correction of the test results for comparison with the specific migration limit (SML). The calculator calculates the maximum acceptable specific migration under the given experime......The EURL-NRL-FCM Taskforce on the Fourth Amendment of the Plastic Directive 2002/72/EC developed a calculator for the correction of the test results for comparison with the specific migration limit (SML). The calculator calculates the maximum acceptable specific migration under the given...... experimental conditions in food or food stimulant and indicates whether the test result is in compliance with the legislation. This calculator includes the Fat Reduction Factor, the simulant D Reduction Factor and the factor of the difference in surface-to-volume ratio between test and real food contact....

  18. Calculational and experimental experience on core management of experimental fast reactor 'JOYO'

    International Nuclear Information System (INIS)

    Yoshida, A.; Arii, Y.; Shono, A.; Suzuki, S.; Kinjo, K.

    1992-01-01

    For the core management of JOYO Mark-II, many core characteristics have been calculated with the core management code system 'MAGI', and measurements have also been carried out at each duty operation cycle. From the evaluation of these results, the characteristics of core parameters such as criticality, reactivity coefficients, and control rod worth can be predicted accurately as followings; excess reactivity: ± 0.1% Δk/k, outlet temperature of subassembly: ±10degC, fuel burn-up: ±5%, control rod worth: ±5%. As a result, we can not only get steady operation of JOYO but also perform various irradiation tests with satisfied conditions. This paper presents experience obtained until now through twenty three duty cycle operations of Mark-II core in JOYO. (author)

  19. Experimental and calculational works on characteristics of the Dalat Nuclear Research Reactor. Second edition

    International Nuclear Information System (INIS)

    Pham Ngoc Khoi; Nguyen Kim Dung

    2016-03-01

    Recognizing the significant value and necessity of publishing the scientific document of experimental and calculational works on the Dalat Nuclear Research Reactor (DNRR) physics and engineering for research, operation, training activities as well as for international scientific exchange, Vietnam Atomic Energy Agency (VAEA) and Vietnam Atomic Energy Institute have completed editing to publish the “Experimental and Calculational Works on Characteristics of THE DALAT NUCLEAR RESEARCH REACTOR” which consists of 26 typical papers representing the most important experimental and calculational results of the DNRR physics and engineering obtained during 30 years of operation and exploitation with the contribution of Vietnamese and former USSR’s experts, especially scientists and engineers working at the Reactor Center of the NRI

  20. Experimental analysis and simulation calculation of the inductances of loosely coupled transformer

    Science.gov (United States)

    Kerui, Chen; Yang, Han; Yan, Zhang; Nannan, Gao; Ying, Pei; Hongbo, Li; Pei, Li; Liangfeng, Guo

    2017-11-01

    The experimental design of iron-core wireless power transmission system is designed, and an experimental model of loosely coupled transformer is built. Measuring the air gap on both sides of the transformer 15mm inductor under the parameters. The feasibility and feasibility of using the finite element method to calculate the coil inductance parameters of the loosely coupled transformer are analyzed. The system was modeled by ANSYS, and the magnetic field was calculated by finite element method, and the inductance parameters were calculated. The finite element method is used to calculate the inductive parameters of the loosely coupled transformer, and the basis for the accurate compensation of the capacitance of the wireless power transmission system is established.

  1. Experimental tests and calculation methods for missile crashing effects on a reactor containment

    International Nuclear Information System (INIS)

    Goldstein, S.; Berriaud, C.; Labrot, R.

    1975-01-01

    In the analysis of missile crashing on a reactor containment there are two main effects to be taken into account: the overall behaviour of the building; the local perforation. The overall behaviour of the building is easily calculated when the applied force as a function of time is known. Two calculation examples are presented. The local perforation is a much more difficult problem and experimental work is necessary. The report presents a series of perforation tests of concrete plates by cylindrical missiles with a flat nose. The aim of these tests is to extrapolate for the lower speeds the existing experimental correlations and to check the calculation methods. The calculations are made with the PASTEL code (Finite elements, implicit integration), with elastoplasticity of the reinforcing steel bars and the concrete. Various plastification and fracturation laws are tested. (Auth.)

  2. Experimental tests and calculation methods for missile crashing effects on a reactor containment

    International Nuclear Information System (INIS)

    Goldstein, S.; Berriaud, C.

    1975-01-01

    In the analysis of missile crashing on a reactor containment there are two main effects to be taken into account: the overall behavior of the building; the local perforation. The overall behavior of the building is easily calculated when the applied force as a function of time is known. Two calculation examples are presented. The local perforation is a much more difficult problem and experimental work is necessary. The report presents a series of perforation tests of concrete plates by cylindrical missiles with a flat nose. The aim of these tests is to extrapolate for the lower speeds the existing experimental correlations (Petry, HN-NDRC, BRL...) and to check the calculation methods. The calculations are made with the PASTEL Code (Finite elements, implicit integration), with elastoplasticity of the reinforcing steel bars and the concrete. Various plastification and fracturation laws will be tested

  3. Experimental investigation and thermodynamic calculations of the Ag–Bi–Ga phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Minić, Duško, E-mail: dminic65@open.telekom.rs [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia); Premović, Milena [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia); Manasijević, Dragan [University of Belgrade, Technical Faculty, Bor (Serbia); Ćosović, Vladan [University of Belgrade, Institute of Chemistry, Technology and Metallurgy, Belgrade (Serbia); Živković, Dragana [University of Belgrade, Technical Faculty, Bor (Serbia); Marković, Aleksandar [University in Priština, Faculty of Technical Science, Kos. Mitrovica (Serbia)

    2015-10-15

    Phase diagram of the Ag–Bi–Ga ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and x-ray powder diffraction (XRD) methods. Experimentally obtained results were compared with the results of thermodynamic prediction of phase equilibria based on calculation of phase diagram (CALPHAD) method. Phase transition temperatures of alloys with overall compositions along three selected vertical sections Ag–Bi{sub 50}Ga{sub 50}, Bi–Ag{sub 50}Ga{sub 50} and Ga–Ag{sub 50}Bi{sub 50} were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 200 °C was carried out using SEM-EDS and XRD methods. Obtained results were compared with the calculated isothermal section of the Ag–Bi–Ga ternary system at corresponding temperature. Calculated liquidus projection and invariant equilibria of the Ag–Bi–Ga ternary system were presented. The obtained values were found to be in a close agreement. - Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of three vertical sections Ag–Bi{sub 50}Ga{sub 50}, Bi–Ag{sub 50}Ga{sub 50} and Ga–Ag{sub 50}Bi{sub 50}. • Calculated horizontal section at 200 °C, confirmed by experimental SEM-EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Ag–Bi–Ga system.

  4. Analytical torque calculation and experimental verification of synchronous permanent magnet couplings with Halbach arrays

    Science.gov (United States)

    Seo, Sung-Won; Kim, Young-Hyun; Lee, Jung-Ho; Choi, Jang-Young

    2018-05-01

    This paper presents analytical torque calculation and experimental verification of synchronous permanent magnet couplings (SPMCs) with Halbach arrays. A Halbach array is composed of various numbers of segments per pole; we calculate and compare the magnetic torques for 2, 3, and 4 segments. Firstly, based on the magnetic vector potential, and using a 2D polar coordinate system, we obtain analytical solutions for the magnetic field. Next, through a series of processes, we perform magnetic torque calculations using the derived solutions and a Maxwell stress tensor. Finally, the analytical results are verified by comparison with the results of 2D and 3D finite element analysis and the results of an experiment.

  5. Benchmarking quantum mechanical calculations with experimental NMR chemical shifts of 2-HADNT

    Science.gov (United States)

    Liu, Yuemin; Junk, Thomas; Liu, Yucheng; Tzeng, Nianfeng; Perkins, Richard

    2015-04-01

    In this study, both GIAO-DFT and GIAO-MP2 calculations of nuclear magnetic resonance (NMR) spectra were benchmarked with experimental chemical shifts. The experimental chemical shifts were determined experimentally for carbon-13 (C-13) of seven carbon atoms for the TNT degradation product 2-hydroxylamino-4,6-dinitrotoluene (2-HADNT). Quantum mechanics GIAO calculations were implemented using Becke-3-Lee-Yang-Parr (B3LYP) and other six hybrid DFT methods (Becke-1-Lee-Yang-Parr (B1LYP), Becke-half-and-half-Lee-Yang-Parr (BH and HLYP), Cohen-Handy-3-Lee-Yang-Parr (O3LYP), Coulomb-attenuating-B3LYP (CAM-B3LYP), modified-Perdew-Wang-91-Lee-Yang-Parr (mPW1LYP), and Xu-3-Lee-Yang-Parr (X3LYP)) which use the same correlation functional LYP. Calculation results showed that the GIAO-MP2 method gives the most accurate chemical shift values, and O3LYP method provides the best prediction of chemical shifts among the B3LYP and other five DFT methods. Three types of atomic partial charges, Mulliken (MK), electrostatic potential (ESP), and natural bond orbital (NBO), were also calculated using MP2/aug-cc-pVDZ method. A reasonable correlation was discovered between NBO partial charges and experimental chemical shifts of carbon-13 (C-13).

  6. Experimental evaluation of ability of Relap5 and DRAKO to calculate water hammer with phase changes

    International Nuclear Information System (INIS)

    Marcinkiewicz, Jerzy; Adamkowski, Adam; Lewandowski, Mariusz

    2007-01-01

    Mechanical loadings on pipe systems caused by water hammer with phase changes make calculation of final forces difficult in nuclear power plants. The common procedure in Sweden is to calculate the water hammer loadings, according to the classical one-dimensional theory of liquid transient flow in pipeline, and then transfer the results to strength analyses of pipeline structure. This procedure assumes that there is quasi-steady response of the pipeline structure to pressure surges - no dynamic interaction between the fluid and the pipeline construction. The hydraulic loadings are calculated with 1-D so-called 'network' programs. Commonly used in Sweden are Relap5 (Mod3.2.2 and higher) and Drako. As a third party accredited inspection body INSPECTA NUCLEAR AB reviews calculations of water hammer loadings. An important question for the reviewer (and also for the users) is knowledge about their ability to calculate the dynamic loadings. While the ability of Relap5 and DRAKO to calculate water hammer without phase changes is relatively well investigated the skills of the programs when phase changes are present need some more attention. The presented work shall be seen as an attempt to illustrate ability of Relap5, and Drako programs to calculate the water hammer loadings with phase changes. A special attention was paid to using of Relap5 for calculation of water hammer pressure surges (including some aspects of influence of discretisation of space on the calculation results). The calculations are compared with experimental results. The experiments have been conducted at a test rig designed and constructed at the Szewalski Institute of Fluid-Flow Machinery of the Polish Academy of Sciences (IMP PAN) in Gdansk, Poland. The comparison of calculated and measured pressures shows some differences, only the first pressure peak, occurring before evaporation is calculated quite exactly. All next coming pressure peaks differ slightly from the measured with respect to amplitude

  7. Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants

    DEFF Research Database (Denmark)

    Pawlowski, F; Jorgensen, P; Olsen, Jeppe

    2002-01-01

    A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been...... calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree......-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a direct minimization of the CCSD(T) energy. The most accurate vibration-rotation interaction constants are those calculated at the CCSD(T)/cc-pVQZ level. The equilibrium bond distances determined from these interaction...

  8. Calculation and comparison with experimental data of cascade curves for liquid xenon

    International Nuclear Information System (INIS)

    Strugal'skij, Z.S.; Yablonskij, Z.

    1975-01-01

    Cascade curves calculated by different methods are compared with the experimental data for showers caused by gamma-quanta with the energies from 40 to 2000 MeV in liquid xenon. The minimum energy of shower electrons (cut-off energy) taken into account by the experiment amounts to 3.1-+1.2 MeV, whereas the calculated cascade curves are given for the energies ranging from 40 to 4000 MeV at the cut-off energies 2.3; 3.5; 4.7 MeV. The depth of the shower development is reckoned from the point of generation of gamma-quanta which create showers. Cascade curves are calculated by the moment method with consideration for three moments. The following physical processes are taken into consideration: generation of electron-positron pairs; Compton effect; bremsstrahlung; ionization losses. The dependences of the mean number of particles on the depth of the shower development are obtained from measurements of photographs taken with a xenon bubble chamber. Presented are similar dependences calculated by the moment and Monte-Carlo methods. From the data analysis it follows that the calculation provides correct position of the shower development maximum, but different methods of calculation for small and low depths of shower development yield drastically different results. The Monte-Carlo method provides better agreement with the experimental data

  9. Calculation of neutron spectra in the reactor cell of the RA experimental reactor in Vinca

    International Nuclear Information System (INIS)

    Bosevski, T.; Altiparmakov, D.; Marinkovic, N.

    1974-01-01

    In the frame of neutron properties of RA experimental reactor the study of energy neutron spectra in the reactor cell are planned. Complex reactor cell geometry, nine cylindrical regions causes high space-energy variations of neutron flux with a significant gradient both in energy and space variables. Treatment of such a complex problem needs adequate methodology which ensures reliable results and control of accuracy. This paper describes in detail the method for calculating group constants based on lattice cell calculation for the need of calculation of reactor core parameters. In 26 group approximation for the energy region from 0 - 10.5 MeV, values of neutron spectra are obtained in 18 space points chosen to describe, with high accuracy, integral reactor cell parameters of primary importance for the reactor core calculation. Obtained space-energy distribution of neutron flux in the reactor cell is up to now unique in the study of neutron properties of Ra reactor [sr

  10. Confluence of calculational and experimental information for determination of power distribution and burnup

    International Nuclear Information System (INIS)

    Serov, I.V.; Hoogenboom, J.E.

    1996-01-01

    A technique for the statistical confluence of any number of possibly correlated informational sources employed in reactor analysis can be used to improve the estimates of physical quantities given by the sources taken separately. The formulas of the presented technique being based on multivariate Bayesian conditioning are general and can be employed in different applications. Insight into the nature of the informational source allows different types of data associated with the source to be improved. Estimation of biases, variances and correlation coefficients for the systematic and statistical errors associated with the informational sources is reliable confluence, but pays off by providing optimal estimates. The technique of the calculational and experimental information confluence is applied to the determination of the power distribution and burnup for the research reactor HOR of the Delft University of Technology. The code system CONHOR carries out all the stages of the calculation for the HOR reactor, using an existing code for static core calculations and burnup calculations. (author)

  11. Confluence of calculational and experimental information for determination of power distribution and burnup

    Energy Technology Data Exchange (ETDEWEB)

    Serov, I.V.; Hoogenboom, J.E. [Interuniversitair Reactor Inst., Delft (Netherlands)

    1996-05-01

    A technique for the statistical confluence of any number of possibly correlated informational sources employed in reactor analysis can be used to improve the estimates of physical quantities given by the sources taken separately. The formulas of the presented technique being based on multivariate Bayesian conditioning are general and can be employed in different applications. Insight into the nature of the informational source allows different types of data associated with the source to be improved. Estimation of biases, variances and correlation coefficients for the systematic and statistical errors associated with the informational sources is reliable confluence, but pays off by providing optimal estimates. The technique of the calculational and experimental information confluence is applied to the determination of the power distribution and burnup for the research reactor HOR of the Delft University of Technology. The code system CONHOR carries out all the stages of the calculation for the HOR reactor, using an existing code for static core calculations and burnup calculations. (author).

  12. Comparison of results of experimental research with numerical calculations of a model one-sided seal

    Directory of Open Access Journals (Sweden)

    Joachimiak Damian

    2015-06-01

    Full Text Available Paper presents the results of experimental and numerical research of a model segment of a labyrinth seal for a different wear level. The analysis covers the extent of leakage and distribution of static pressure in the seal chambers and the planes upstream and downstream of the segment. The measurement data have been compared with the results of numerical calculations obtained using commercial software. Based on the flow conditions occurring in the area subjected to calculations, the size of the mesh defined by parameter y+ has been analyzed and the selection of the turbulence model has been described. The numerical calculations were based on the measurable thermodynamic parameters in the seal segments of steam turbines. The work contains a comparison of the mass flow and distribution of static pressure in the seal chambers obtained during the measurement and calculated numerically in a model segment of the seal of different level of wear.

  13. Heavy Ion SEU Cross Section Calculation Based on Proton Experimental Data, and Vice Versa

    CERN Document Server

    Wrobel, F; Pouget, V; Dilillo, L; Ecoffet, R; Lorfèvre, E; Bezerra, F; Brugger, M; Saigné, F

    2014-01-01

    The aim of this work is to provide a method to calculate single event upset (SEU) cross sections by using experimental data. Valuable tools such as PROFIT and SIMPA already focus on the calculation of the proton cross section by using heavy ions cross-section experiments. However, there is no available tool that calculates heavy ion cross sections based on measured proton cross sections with no knowledge of the technology. We based our approach on the diffusion-collection model with the aim of analyzing the characteristics of transient currents that trigger SEUs. We show that experimental cross sections could be used to characterize the pulses that trigger an SEU. Experimental results allow yet defining an empirical rule to identify the transient current that are responsible for an SEU. Then, the SEU cross section can be calculated for any kind of particle and any energy with no need to know the Spice model of the cell. We applied our method to some technologies (250 nm, 90 nm and 65 nm bulk SRAMs) and we sho...

  14. Experimental investigation and thermodynamic calculation of the Mg-Sr-Zr system

    International Nuclear Information System (INIS)

    Zhou, Hua; Chen, Chong; Du, Yong; Central South Univ., Hunan; Gong, Haoran

    2016-01-01

    Both experimental investigation and thermodynamic calculation were performed for the Mg-Sr-Zr system. Four decisive alloys were firstly selected and prepared using a powder metallurgy method to measure the isothermal section at 400 C via a combination of X-ray diffraction and electron probe microanalysis. No ternary compound has been observed for this ternary system. Four three-phase regions, (Mg) + (αZr) + Mg 17 Sr 2 , Mg 17 Sr 2 + (αZr) + Mg 38 Sr 9 , Mg 38 Sr 9 + (αZr) + Mg 23 Sr 6 , and Mg 23 Sr 6 + (αZr) + Mg 2 Sr, have been identified at 400 C. No appreciable ternary solubility has been detected in the binary Mg-Sr compounds. Phase transition temperatures of the Mg-Sr-Zr alloys were measured by means of differential scanning calorimetry. The thermodynamic calculations match well with the experimental data in the present work, indicating that no ternary thermodynamic parameters are needed for the thermodynamic description of this ternary system. In order to verify the reliability of the current thermodynamic calculations of the Mg-Sr-Zr system, eight as-cast alloys in the Mg-rich corner were also prepared. The calculated liquidus projection is consistent with the observed primary phase regions. The present thermodynamic calculations are reliable and can be used in the development of Mg alloys.

  15. Experimental validation of decay heat calculation codes and associated nuclear data libraries for fusion energy

    International Nuclear Information System (INIS)

    Maekawa, Fujio; Wada, Masayuki; Ikeda, Yujiro

    2001-01-01

    Validity of decay heat calculations for safety designs of fusion reactors was investigated by using decay heat experimental data on thirty-two fusion reactor relevant materials obtained at the 14-MeV neutron source facility of FNS in JAERI. Calculation codes developed in Japan, ACT4 and CINAC version 4, and nuclear data bases such as JENDL/Act-96, FENDL/A-2.0 and Lib90 were used for the calculation. Although several corrections in algorithms for both the calculation codes were needed, it was shown by comparing calculated results with the experimental data that most of activation cross sections and decay data were adequate. In cases of type 316 stainless steel and copper which were important for ITER, prediction accuracy of decay heat within ±10% was confirmed. However, it was pointed out that there were some problems in parts of data such as improper activation cross sections, e,g., the 92 Mo(n, 2n) 91g Mo reaction in FENDL, and lack of activation cross section data, e.g., the 138 Ba(n, 2n) 137m Ba reaction in JENDL. Modifications of cross section data were recommended for 19 reactions in JENDL and FENDL. It was also pointed out that X-ray and conversion electron energies should be included in decay data. (author)

  16. Experimental validation of decay heat calculation codes and associated nuclear data libraries for fusion energy

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Fujio; Wada, Masayuki; Ikeda, Yujiro [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-01-01

    Validity of decay heat calculations for safety designs of fusion reactors was investigated by using decay heat experimental data on thirty-two fusion reactor relevant materials obtained at the 14-MeV neutron source facility of FNS in JAERI. Calculation codes developed in Japan, ACT4 and CINAC version 4, and nuclear data bases such as JENDL/Act-96, FENDL/A-2.0 and Lib90 were used for the calculation. Although several corrections in algorithms for both the calculation codes were needed, it was shown by comparing calculated results with the experimental data that most of activation cross sections and decay data were adequate. In cases of type 316 stainless steel and copper which were important for ITER, prediction accuracy of decay heat within {+-}10% was confirmed. However, it was pointed out that there were some problems in parts of data such as improper activation cross sections, e,g., the {sup 92}Mo(n, 2n){sup 91g}Mo reaction in FENDL, and lack of activation cross section data, e.g., the {sup 138}Ba(n, 2n){sup 137m}Ba reaction in JENDL. Modifications of cross section data were recommended for 19 reactions in JENDL and FENDL. It was also pointed out that X-ray and conversion electron energies should be included in decay data. (author)

  17. Calculated and experimental substantiation of the thermal method for non-destructive testing of fuel elements

    International Nuclear Information System (INIS)

    Maksimov, N.M.; Soldatenko, V.A.; Petrovichev, V.I.; Salimov, S.E.; Aleksandrov, K.A.; Kurov, D.A.

    1985-01-01

    The main systems and methods of thermal testing, their potentialities and advantages, thermal irradiation photodetectors are described. Possible fields of application of thermal testing in nuclear engineering are discussed. Calculations of the fuel element nonstationary temperature field in the three-dimensional geometry in the presence of such an effect as fuel exfaliation from cladding are presented. The developed method and equipment for fuel element thermal testing are described. Preliminary experimental data being in agreement with the calculated ones and opening the prospects for flaw detecting are presened

  18. Development of Variational Guiding Center Algorithms for Parallel Calculations in Experimental Magnetic Equilibria

    Energy Technology Data Exchange (ETDEWEB)

    Ellison, C. Leland [PPPL; Finn, J. M. [LANL; Qin, H. [PPPL; Tang, William M. [PPPL

    2014-10-01

    Structure-preserving algorithms obtained via discrete variational principles exhibit strong promise for the calculation of guiding center test particle trajectories. The non-canonical Hamiltonian structure of the guiding center equations forms a novel and challenging context for geometric integration. To demonstrate the practical relevance of these methods, a prototypical variational midpoint algorithm is applied to an experimental magnetic equilibrium. The stability characteristics, conservation properties, and implementation requirements associated with the variational algorithms are addressed. Furthermore, computational run time is reduced for large numbers of particles by parallelizing the calculation on GPU hardware.

  19. Calculation and experimental measurements in the Argonauta reactor subcritical and exponential facility

    International Nuclear Information System (INIS)

    Voi, Dante L.; Furieri, Rosane C.A.A.; Renke, Carlos A.C.; Bastos, Wilma S.; Ferreira, Francisco J.O.

    1997-01-01

    Initial measurements were performed on the exponential and subcritical facility installed on the internal thermal column of the Argonauta reactor at IEN-CNEN-Rio de Janeiro, Brazil. The measurements are include in the reactor physics experimental program for integral parameters determination, for both valid and confirmed theoretical models for reactor calculation. Gamma doses and neutron fluxes were measured with telescopic, proportional counters, wire and foil detectors. Experimental data were compared with results obtained by application of CITATION code. (author). 4 refs., 8 figs

  20. Experimental control of calculation model of scale factor during fracture of circular samples with cracks

    International Nuclear Information System (INIS)

    Gnyp, I.P.; Ganulich, B.K.; Pokhmurskij, V.I.

    1982-01-01

    Reliable methods of estimation of cracking resistance of low-strength plastic materials using the notched samples acceptable for laboratory tests are analysed. Experimental data on the fracture of round notched samples for a number of steels are given. A perfect comparability of calculational and experimental data confirms the legitimacy of the proposed scheme of estimation of the scale factor effect. The necessity of taking into account the strain hardening coefficient at the choice of a sample size for determining the stress intensity factor is pointed out

  1. Calculation of Impedance from Multibunch Synchronous Phases: Theory and Experimental Results

    International Nuclear Information System (INIS)

    Prabhakar, Shyam

    1998-01-01

    A novel beam-based method for measuring the longitudinal impedance spectrum is demonstrated using experimental data from the PEP-II High Energy Ring (HER). The method uses a digital longitudinal feedback system from which the charge and synchronous phase are measured for every bucket. Calculation of the transfer function from fill shape to synchronous phase yields the impedance seen by the beam at revolution harmonics. The experimentally-derived longitudinal impedance function and lab measurements of the impedance of parked RF cavities are compared to suggest a mechanism for the occasional instability of low-order coupled bunch modes observed in the HER during commissioning in October 1997

  2. Calculation and experimental technique of determination of rolling procedure for cold-rolling tube mills

    International Nuclear Information System (INIS)

    Igoshin, V.F.; Aleshin, V.A.; Khoroshikh, Yu.G.; Bogatov, A.A.; Mizhiritskij, O.I.

    1983-01-01

    Calculation and experimental technique of determination of tube cold rolling procedure has been developed. Rolling procedure based on the usage of regression equation epsilon=1.24 psi, where psi is the relative reduction of area, delta-permissible reduction during rolling, has been tested on 08Kh18N10T steel. The effect of tube geometry, tool calibration parameters, lubrication conditions etc. on metal deformability in taking into account experimentally. The use of the technique proposed has allowed to shorten the time of mastering of the production of tubes from different steels

  3. Adsorption of methanol molecule on graphene: Experimental results and first-principles calculations

    Science.gov (United States)

    Zhao, X. W.; Tian, Y. L.; Yue, W. W.; Chen, M. N.; Hu, G. C.; Ren, J. F.; Yuan, X. B.

    2018-04-01

    Adsorption properties of methanol molecule on graphene surface are studied both theoretically and experimentally. The adsorption geometrical structures, adsorption energies, band structures, density of states and the effective masses are obtained by means of first-principles calculations. It is found that the electronic characteristics and conductivity of graphene are sensitive to the methanol molecule adsorption. After adsorption of methanol molecule, bandgap appears. With the increasing of the adsorption distance, the bandgap, adsorption energy and effective mass of the adsorption system decreased, hence the resistivity of the system decreases gradually, these results are consistent with the experimental results. All these calculations and experiments indicate that the graphene-based sensors have a wide range of applications in detecting particular molecules.

  4. Experimental study and technique for calculation of critical heat fluxes in helium boiling in tubes

    International Nuclear Information System (INIS)

    Arkhipov, V.V.; Kvasnyuk, S.V.; Deev, V.I.; Andreev, V.K.

    1979-01-01

    Studied is the effect of regime parameters on critical heat loads in helium boiling in a vertical tube in the range of mass rates of 80 2 xc) and pressures of 100<=p<=200 kPa for the vapor content range corresponding to the heat exchange crisis of the first kind. The method for calculating critical heat fluxes describing experimental data with the error less than +-15% is proposed. The critical heat loads in helium boiling in tubes reduce with the growth of pressure and vapor content in the regime parameter ranges under investigation. Both positive and negative effects of the mass rate on the critical heat flux are observed. The calculation method proposed satisfactorily describes the experimental data

  5. Comparison of computer code calculations with experimental results obtained in the NSPP series of experiments

    International Nuclear Information System (INIS)

    Tobias, M.L.

    1987-01-01

    Experiments were done on several aerosols in air atmospheres at varying temperatures and humidity conditions of interest in forming a data base for testing aerosol behavior models used as part of the process of evaluating the ''source term'' in light water reactor accidents. This paper deals with the problems of predicting the observed experimental data for suspended aerosol concentration with aerosol calculational codes. Comparisons of measured versus predicted data are provided

  6. Comparison of experimental and calculated neutron emission spectra and angular distributions

    International Nuclear Information System (INIS)

    Gruppelaar, H.; Akkermans, J.M.

    1980-06-01

    Experimental and calculated neutron emission spectra and angular distributions have been intercompared for 14.6-MeV neutron-induced reactions. The experimental data, measured by Hermsdorf et al., cover 34 elements in a large mass range. To calculate the differential neutron scattering cross sections a unified model of preequilibrium neutron emission was used, in which the generalized master equation of Mantzouranis et al. was solved with a fast exact matrix method, recently introduced by Akkermans. For the scattering kernel a three-term Legendre polynomial representation was adopted, which was either derived from the differential free nucleon-nucleon scattering cross section or fitted to obtain optimal agreement with the set of experimental data of Hermsdorf et al. The results of the last-mentioned calculation are quite acceptable in view of the fact that only two global parameters have been to describe the angular distributions of all experimental data. The report contains tables and graphs of the calculated Legendre coefficients and graphs of energy-averaged angular distributions for all 34 elements. It is further shown that improvements in the energy and angular distributions could be obtained by means of adjustment of the level-density parameters of the individual residual nuclei. Finally a short discussion is devoted to the problems of fitting angular distributions at backward angles by varying the model parameters or the specification of the initial condition. It is indicated that the so-called preequilibrium phase of the nuclear reaction actually consists of two different stages, the first one generating the forward-peaked angular distributions and the second one showing angular distributions symmetric about 90 0

  7. Improvement of patient return electrodes in electrosurgery by experimental investigations and numerical field calculations.

    Science.gov (United States)

    Golombeck, M A; Dössel, O; Raiser, J

    2003-09-01

    Numerical field calculations and experimental investigations were performed to examine the heating of the surface of human skin during the application of a new electrode design for the patient return electrode. The new electrode is characterised by an equipotential ring around the central electrode pads. A multi-layer thigh model was used, to which the patient return electrode and the active electrode were connected. The simulation geometry and the dielectric tissue parameters were set according to the frequency of the current. The temperature rise at the skin surface due to the flow of current was evaluated using a two-step numerical solving procedure. The results were compared with experimental thermographical measurements that yielded a mean value of maximum temperature increase of 3.4 degrees C and a maximum of 4.5 degrees C in one test case. The calculated heating patterns agreed closely with the experimental results. However, the calculated mean value in ten different numerical models of the maximum temperature increase of 12.5 K (using a thermodynamic solver) exceeded the experimental value owing to neglect of heat transport by blood flow and also because of the injection of a higher test current, as in the clinical tests. The implementation of a simple worst-case formula that could significantly simplify the numerical process led to a substantial overestimation of the mean value of the maximum skin temperature of 22.4 K and showed only restricted applicability. The application of numerical methods confirmed the experimental assertions and led to a general understanding of the observed heating effects and hotspots. Furthermore, it was possible to demonstrate the beneficial effects of the new electrode design with an equipotential ring. These include a balanced heating pattern and the absence of hotspots.

  8. Comparison of experimental and calculated shielding factors for modular buildings in a radioactive fallout scenario

    DEFF Research Database (Denmark)

    Hinrichsen, Yvonne; Finck, Robert; Östlund, Karl

    2018-01-01

    building used was a standard prefabricated structure obtained from a commercial manufacturer. Four reference positions for the gamma radiation detectors were used inside the building. Theoretical dose rate calculations were performed using the Monte Carlo code MCNP6, and additional calculations were......Experimentally and theoretically determined shielding factors for a common light construction dwelling type were obtained and compared. Sources of the gamma-emitting radionuclides 60Co and 137Cs were positioned around and on top of a modular building to represent homogeneous fallout. The modular...... performed that compared the shielding factor for 137Cs and 134Cs. This work demonstrated the applicability of using MCNP6 for theoretical calculations of radioactive fallout scenarios. Furthermore, the work showed that the shielding effect for modular buildings is almost the same for 134Cs as for 137Cs....

  9. Comparison of leak opening and leak rate calculations to HDR experimental results

    International Nuclear Information System (INIS)

    Grebner, H.; Hoefler, A.; Hunger, H.

    1993-01-01

    During the last years a number of calculations of leak opening and leak rate for through cracks in piping components have been performed. Analyses are pre- or mostly post-calculations to experiments performed at the HDR facility under PWR operating conditions. Piping components under consideration were small diameter straight pipes with circumferential cracks, pipe bends with longitudinal or circumferential cracks and pipe branches with weldment cracks. The components were loaded by internal pressure and opening as well as closing bending moment. The finite element method and two-phase flow leak rate programs were used for the calculations. Results of the analyses are presented as J-integral values, crack opening displacements and areas and leak rates as well as comparisons to the experimental results

  10. Experimental Guidance for Isospin Symmetry Breaking Calculations via Single Neutron Pickup Reactions

    Science.gov (United States)

    Leach, K. G.; Garrett, P. E.; Bangay, J. C.; Bianco, L.; Demand, G. A.; Finlay, P.; Green, K. L.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wong, J.; Ball, G.; Faestermann, T.; Krücken, R.; Hertenberger, R.; Wirth, H.-F.; Towner, I. S.

    2013-03-01

    Recent activity in superallowed isospin-symmetry-breaking correction calculations has prompted interest in experimental confirmation of these calculation techniques. The shellmodel set of Towner and Hardy (2008) include the opening of specific core orbitals that were previously frozen. This has resulted in significant shifts in some of the δC values, and an improved agreement of the individual corrected {F}t values with the adopted world average of the 13 cases currently included in the high-precision evaluation of Vud. While the nucleus-to-nucleus variation of {F}t is consistent with the conserved-vector-current (CVC) hypothesis of the Standard Model, these new calculations must be thoroughly tested, and guidance must be given for their improvement. Presented here are details of a 64Zn(ěcd, t)63Zn experiment, undertaken to provide such guidance.

  11. Energetics and stability of azulene: From experimental thermochemistry to high-level quantum chemical calculations

    International Nuclear Information System (INIS)

    Sousa, Clara C.S.; Matos, M. Agostinha R.; Morais, Victor M.F.

    2014-01-01

    Highlights: • Experimental standard molar enthalpy of formation, sublimation azulene. • Mini-bomb combustion calorimetry, sublimation Calvet microcalorimetry. • High level composite ab initio calculations. • Computational estimate of the enthalpy of formation of azulene. • Discussion of stability and aromaticity of azulene. - Abstract: The standard (p 0 = 0.1 MPa) molar enthalpy of formation for crystalline azulene was derived from the standard molar enthalpy of combustion, in oxygen, at T = 298.15 K, measured in a mini-bomb combustion calorimeter (aneroid isoperibol calorimeter) and the standard molar enthalpy of sublimation, at T = 298.15 K, measured by Calvet microcalorimetry. From these experiments, the standard molar enthalpy of formation of azulene in the gaseous phase at T = 298.15 K was calculated. In addition, very accurate quantum chemical calculations at the G3 and G4 composite levels of calculation were conducted in order to corroborate our experimental findings and further clarify and establish the definitive standard enthalpy of formation of this interesting non-benzenoid hydrocarbon

  12. 232Th and 238U neutron emission cross section calculations and analysis of experimental data

    International Nuclear Information System (INIS)

    Tel, E.

    2004-01-01

    In this study, pre-equilibrium neutron-emission spectra produced by (n,xn) reactions on nuclei 2 32Th and 2 38U have been calculated. Angle-integrated cross sections in neutron induced reactions on targets 2 32Th and 2 38U have been calculated at the bombarding energies up to 18 MeV. We have investigated multiple pre-equilibrium matrix element constant from internal transition for 2 32Th (n,xn) neutron emission spectra. In the calculations, the geometry dependent hybrid model and the cascade exciton model including the effects of pre-equilibrium have been used. In addition, we have described how multiple pre-equilibrium emissions can be included in the Feshbach-Kerman-Koonin (FKK) fully quantum-mechanical theory. By analyzing (n,xn) reaction on 232 T h and 2 38U, with the incident energy from 2 Me V to 18 Me V, the importance of multiple pre-equilibrium emission can be seen cleady. All calculated results have been compared with experimental data. The obtained results have been discussed and compared with the available experimental data and found agreement with each other

  13. Calculated and experimental research of WWER-1000 assembly vibration and fretting damage

    International Nuclear Information System (INIS)

    Drozdov, Y.; Afanasyev, A.; Makarov, V.; Tutnov, A.; Tutnov, A.; Alekseev, E.

    2008-01-01

    The report covers the methods and results of the latest analytical and experimental studies of fretting corrosion and natural vibrations of a WWER-1000 reactor fuel assemblies (FA). The process of fretting-corrosion was investigated using a multi-specimen facility that simulated fragments of fuel rod-to-spacer grid and lower support grid mating units. A computational model was developed for vibrations in the mechanical system of a fuel rod fragment and a spacer grid fragment. A calculational and experimental modal analysis of a FA was performed. Natural frequencies, modes and decrements of FA vibrations were determined and a satisfactory coincidence of analytical and experimental results was obtained. The assessment of fretting-corrosion process dynamics was made and its dependences on operational factors were obtained. (authors)

  14. Experimental and calculating study on the stressed state of superconducting coils of toroidal field in the T-15 tokamak

    International Nuclear Information System (INIS)

    Vaulina, I.G.; Gusev, S.V.; Sivkova, G.N.

    1987-01-01

    Results of calculational and experimental atudy of stress-deformed state of superconducting coils of the T-15 tokamak toroidal field are presented. The calculations are made using the method of finite elements and refined theory of cores. Experimental studies were carried out using elastic tensometric model of polymer materials. Test results are compared with the calculational results. Divergence between calculational and experimental values of displacement of characteristic points in the unit does not exceed 20 %. Results of model studies confirm the expediency of the calculational model used for designing SOTP unit for the T-15 tokamak

  15. First-principles calculations, experimental study, and thermodynamic modeling of the Al-Co-Cr system.

    Directory of Open Access Journals (Sweden)

    Xuan L Liu

    Full Text Available The phase relations and thermodynamic properties of the condensed Al-Co-Cr ternary alloy system are investigated using first-principles calculations based on density functional theory (DFT and phase-equilibria experiments that led to X-ray diffraction (XRD and electron probe micro-analysis (EPMA measurements. A thermodynamic description is developed by means of the calculations of phase diagrams (CALPHAD method using experimental and computational data from the present work and the literature. Emphasis is placed on modeling the bcc-A2, B2, fcc-γ, and tetragonal-σ phases in the temperature range of 1173 to 1623 K. Liquid, bcc-A2 and fcc-γ phases are modeled using substitutional solution descriptions. First-principles special quasirandom structures (SQS calculations predict a large bcc-A2 (disordered/B2 (ordered miscibility gap, in agreement with experiments. A partitioning model is then used for the A2/B2 phase to effectively describe the order-disorder transitions. The critically assessed thermodynamic description describes all phase equilibria data well. A2/B2 transitions are also shown to agree well with previous experimental findings.

  16. Defining Dynamic Characteristics of Multilink Pendulum System with Comparison of the Calculated and Experimental Results

    Directory of Open Access Journals (Sweden)

    V. A. Gribkov

    2015-01-01

    Full Text Available We consider the multilink pendulum system consisting of six physical pendulums. A pendulum (carrier has inertia parameters, which significantly exceed the remaining (carried ones placed on the carrier. In addition to the system under analysis, in particular, the paper presents a design scheme for a two-stage liquid fuel rocket using pendulums as the analogues of fluctuating fuel. Pendulum models also find application to solve problems of stabilization of space tether systems. The objective of the study is to determine dynamic characteristics of the said sixmembered pendulum system, as well as to identify specific dynamic properties inherent in objects of this kind. Dynamic characteristics of the system are determined by calculations. A physical model of the pendulum allowed us to compare the calculated and experimental results. To conduct the frequency tests of the pendulum model three pilot units have been created. The first two units turned out to be inappropriate for fulfilling the experimental tasks for various reasons. The third unit enabled us to obtain desirable experimental results. The "calculation–experiment” discrepancy on the natural frequencies of the pendulum model for the majority of frequencies was less than 5%. We analyzed the dynamic features of multilink pendulum systems "carried by the carrier unit links". The analysis results are applicable to the above-noted object classes of rocket and space technology.

  17. Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

    Science.gov (United States)

    Priya, Y. Sushma; Rao, K. Ramachandra; Chalapathi, P. V.; Satyavani, M.; Veeraiah, A.

    2017-09-01

    The vibrational and electronic properties of 2-coumaranone have been reported in the ground state using experimental techniques (FT-IR, FT-Raman, UV spectra and fluorescence microscopic imaging) and density functional theory (DFT) employing B3LYP correlation with the 6-31G(d, p) basis set. The theoretically reported optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yielded good concurrence between the experimental and calculated values. The assignments of the vibrational spectra were done with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field(SQMFF) methodology. The whole assignments of fundamental modes were based on the potential energy distribution (PED) matrix. The electric dipole moment and the first order hyperpolarizability of the 2-coumaranone have been computed using quantum mechanical calculations. NBO and HOMO, LUMO analyses have been carried out. UV spectrum of 2-coumaranone was recorded in the region 100-300 nm and compared with the theoretical UV spectrum using TD-DFT and SAC-CI methods by which a good agreement is observed. Fluorescence microscopic imaging study reflects that the compound fluoresces in the green-yellow region.

  18. Experimental and calculated LET distributions in the Cosmos-2044 biosatellite orbit

    International Nuclear Information System (INIS)

    Dudkin, V.E.; Karpov, O.N.; Potapov, Yu.V.; Benton, E.V.; Frank, A.L.; Watts, J.W. Jr.

    1992-01-01

    During the flight of the Cosmos-2044 biosatellite, joint U.S.S.R.-U.S.A. investigations of different characteristics of cosmic radiation (CR) in the near-Earth environment were carried out. The U.S. dielectric track detectors CR-39 and Soviet BYa- and BR-type nuclear photo-emulsions were used as detectors. The present work shows some results of experimental measurements of linear energy transfer (LET) spectra of CR particles obtained with the use of these detectors, which were placed both inside and outside the satellite. The LET spectra measurement with plastic detectors is composed of two parts: the measurement of galactic cosmic rays (GCR) particles, and of short-range particles. The contributions of these components to the total LET distribution at various thicknesses of the shielding were analyzed and the results of these studies are presented. Calculated LET spectra in the Cosmos-2044 orbit were compared with experimental data. On the basis of experimental and calculated values of the LET spectra, absorbed and equivalent CR doses were calculated. In the shielding range of 1-1.5 g cm -2 , outside the spacecraft, the photo-emulsions yielded 10.3 mrad d -1 and 27.5 mrem d -1 (LET ≥ 2 MeV cm -1 ) while the CR-39 yielded averages of 1.43 mrad d -1 and 13.4 mrem d -1 (LET ≥ 40 MeV cm -1 ). Inside the spacecraft (≥10 g cm -2 ) the photo-emulsions yielded 8.9 mrad d -1 and 14.5 mrem d -1 . (author)

  19. Seismic behavior of reinforced concrete structures: non linear calculation and experimental verification

    International Nuclear Information System (INIS)

    Gauvain, J.; Hoffmann, A.; Jeandidier, C.; Livolant, M.

    1978-01-01

    This study presents the tests of a reinforced concrete beam conducted by the Department of Mechanical and Thermal Studies at the Centre d'Etudes Nucleaires de Saclay, France. The actual behavior of nuclear power plant buildings submitted to seismic loads is generally non linear even for moderate seismic levels. The non-linearity is specially important for reinforced concrete type buildings. To estimate the safety factors when the building is designed by standard methods, accurate non linear calculations are necessary. For such calculations one of the most difficult point is to define a correct model for the behavior of a reinforced concrete beam subject to reversed loads. For that purpose, static and dynamic experimental tests on a shaking table have been carried out and a model reasonably accurate has been established and checked on the test results [fr

  20. Calculational and experimental approaches to the equation of state of irradiated fuel

    International Nuclear Information System (INIS)

    Bober, M.; Breitung, W.; Karow, H.U.; Schumacher, G.

    1977-07-01

    The oxygen potential is an important parameter for the estimation of the vapor pressure of mixed oxide fuel and fission products. Dissolved fission products can have great influence on this potential in hypostoichiometric fuel. Therefore an attempt was made to calculate oxygen potentials of uranium-plutonium mixed oxides which contain fission products using models based on the equilibrium of oxygen defects. Vapor pressures have been calculated applying these data. The results of the calculation with various models differ especially at high temperatures above 4,000 K. Experimental work has been done to determine the vapor pressure of oxide fuel material at temperatures between 3,000 K and 5,000 K using laser beam heating. A measuring technique and a detailed evaluation model of laser evaporation measurements have been developed. The evaluation model describes the complex phenomena occurring during surface evaporation of liquid oxide fuel. Vapor pressure measurements with UO 2 have been carried out in the temperature region up to 4,500 K. With thermodynamic calculations the required equilibrium vapor pressures (EOS) can be derived from the vapor pressures measured. The caloric equation-of-state of the liquid-vapor equilibrium of the fuel up to temperatures of 5,000 K has been considered theoretically. (orig.) [de

  1. Experimental-calculation technique for Ksub(IC) determination using the samples of decreased dimensions

    International Nuclear Information System (INIS)

    Vinokurov, V.A.; Dymshits, A.V.; Pirusskij, M.V.; Ovsyannikov, B.M.; Kononov, V.V.

    1981-01-01

    A possibility to decrease the size of samples, which is necessary for the reliable determination of fractUre toughness Ksub(1c), is established. The dependences of crack-resistance caracteristics on the sample dimensions are determined experimentally. The static bending tests are made using the 1251 model of ''Instron'' installation with a specially designed device. The samples of the 20KhNMF steel have been tested. It is shown that the Ksub(1c) value, determined for the samples with the largest netto cross section (50x100 rm), is considerably lower than Ksub(1c) values, determined for the samples with the decreased sizes. it is shown that the developed experimental-calculated method of Ksub(1c) determination can be practically used for the samples of the decreased sizes with the introduction of the corresponding amendment coefficient [ru

  2. A model for negative ion extraction and comparison of negative ion optics calculations to experimental results

    International Nuclear Information System (INIS)

    Pamela, J.

    1990-10-01

    Negative ion extraction is described by a model which includes electron diffusion across transverse magnetic fields in the sheath. This model allows a 2-Dimensional approximation of the problem. It is used to introduce electron space charge effects in a 2-D particle trajectory code, designed for negative ion optics calculations. Another physical effect, the stripping of negative ions on neutral gas atoms, has also been included in our model; it is found to play an important role in negative ion optics. The comparison with three sets of experimental data from very different negative ion accelerators, show that our model is able of accurate predictions

  3. Method for calculating thermal properties of lightweight floor heating panels based on an experimental setup

    DEFF Research Database (Denmark)

    Weitzmann, Peter; Svendsen, Svend

    2005-01-01

    , radiation and conduction of the heat transfer between pipe and surrounding materials. The European Standard for floor heating, EN1264, does not cover lightweight systems, while the supplemental Nordtest Method VVS127 is aimed at lightweight systems. The thermal properties can be found using tabulated values...... simulation model. It has been shown that the method is accurate with an error on the heat fluxes of less than 5% for different supply temperatures. An error of around 5% is also recorded when comparing measurements to calculated heat flows using the Nordtest VVS 127 method based on the experimental setup...

  4. MCNPCX calculations of dose rates and spectra in experimental channels of the CTEx irradiating facility

    International Nuclear Information System (INIS)

    Gomes, Renato G.; Rebello, Wilson F.; Vellozo, Sergio O.; Junior, Luis M.; Vital, Helio C.; Rusin, Tiago; Silva, Ademir X.

    2013-01-01

    MCNPX simulations have been performed in order to calculate dose rates as well as spectra along the four experimental channels of the gamma irradiating facility at the Technology Center of the Brazilian Army (CTEx). Safety, operational and research requirements have led to the need to determine both the magnitude and spectra of the leaking gamma fluxes. The CTEx experimental facility is cavity type with a moveable set of 28 horizontally positioned rods, filled with Cesium-137 chloride and doubly encased in stainless steel that yields an approximately plane 42 kCi-source that provides a maximum dose rate of about 1.5 kG/h into two irradiating chambers. The channels are intended for irradiation tests outside facility. They would allow larger samples to be exposed to lower gamma dose rates under controlled conditions. Dose rates have been calculated for several positions inside the channels as well as at their exits. In addition, for purposes related to the safety of operators and personnel, the angles submitted by the exiting beams have also been evaluated as they spread when leaving the channels. All calculations have been performed by using a computational model of the CTEx facility that allows its characteristics and operation to be accurately simulated by using the Monte Carlo Method. Virtual dosimeters filled with Fricke (ferrous sulfate) were modeled and positioned throughout 2 vertical channels (top and bottom) and 2 horizontal ones (front and back) in order to map dose rates and gamma spectrum distributions. The calculations revealed exiting collimated beams in the order of tenths of Grays per minute as compared to the maximum 25 Gy / min dose rate in the irradiator chamber. In addition, the beams leaving the two vertical channels were found to exhibit a widespread cone-shaped distribution with aperture angle ranging around 85 deg. The data calculated in this work are intended for use in the design of optimized experiments (better positioning of samples and

  5. Monte Carlo calculations and experimental measurements of dosimetric parameters of the IRA-103Pd brachytherapy source

    International Nuclear Information System (INIS)

    Sadeghi, Mahdi; Raisali, Gholamreza; Hosseini, S. Hamed; Shavar, Arzhang

    2008-01-01

    This article presents a brachytherapy source having 103 Pd adsorbed onto a cylindrical silver rod that has been developed by the Agricultural, Medical, and Industrial Research School for permanent implant applications. Dosimetric characteristics (radial dose function, anisotropy function, and anisotropy factor) of this source were experimentally and theoretically determined in terms of the updated AAPM Task group 43 (TG-43U1) recommendations. Monte Carlo simulations were used to calculate the dose rate constant. Measurements were performed using TLD-GR200A circular chip dosimeters using standard methods employing thermoluminescent dosimeters in a Perspex phantom. Precision machined bores in the phantom located the dosimeters and the source in a reproducible fixed geometry, providing for transverse-axis and angular dose profiles over a range of distances from 0.5 to 5 cm. The Monte Carlo N-particle (MCNP) code, version 4C simulation techniques have been used to evaluate the dose-rate distributions around this model 103 Pd source in water and Perspex phantoms. The Monte Carlo calculated dose rate constant of the IRA- 103 Pd source in water was found to be 0.678 cGy h -1 U -1 with an approximate uncertainty of ±0.1%. The anisotropy function, F(r,θ), and the radial dose function, g(r), of the IRA- 103 Pd source were also measured in a Perspex phantom and calculated in both Perspex and liquid water phantoms

  6. Radiological dose rate calculations for the International Thermonuclear Experimental Reactor (ITER)

    International Nuclear Information System (INIS)

    Khater, H.Y.; Santoro, R.T.

    1996-01-01

    Two-dimensional biological dose rates were calculated at different locations outside the International Thermonuclear Experimental Reactor (ITER) design. An 18 degree sector of the reactor was modeled in r-θ geometry. The calculations were performed for three different pulsing scenarios. This included a single pulse of 1000 s duration, 10 pulses of 1000 s duration with a 50% duty factor, and 9470 pulses of 1000 s duration with a 50% duty factor for a total fluence of 0.3 MW.a/m 2 . The dose rates were calculated as a function of toroidal angle at locations in the space between the toroidal field (TF) coils and cryostat, and in the space between the cryostat and the biological shield. The two-dimensional results clearly showed the toroidal effect, which is dominated by contribution from the activation of the cryostat and the biological shield. After one pulse, full access to the machine is possible within a few hours following shutdown. After 10 pulses, full access is also possible within the first day following shutdown. At the end of the Basic Performance Phase (BPP), full access is possible at any of the locations considered after one week following shutdown. 5 refs., 5 figs., 2 tabs

  7. Numerical calculation of aerodynamics wind turbine blade S809 airfoil and comparison of theoretical calculations with experimental measurements and confirming with NREL data

    Science.gov (United States)

    Sogukpinar, Haci; Bozkurt, Ismail

    2018-02-01

    Aerodynamic performance of the airfoil plays the most important role to obtain economically maximum efficiency from a wind turbine. Therefore airfoil should have an ideal aerodynamic shape. In this study, aerodynamic simulation of S809 airfoil is conducted and obtained result compared with previously made NASA experimental result and NREL theoretical data. At first, Lift coefficient, lift to drag ratio and pressure coefficient around S809 airfoil are calculated with SST turbulence model, and are compared with experimental and other theoretical data to correlate simulation correctness of the computational approaches. And result indicates good correlation with both experimental and theoretical data. This calculation point out that as the increasing relative velocity, lift to drag ratio increases. Lift to drag ratio attain maximum at the angle around 6 degree and after that starts to decrease again. Comparison shows that CFD code used in this calculation can predict aerodynamic properties of airfoil.

  8. Investigating dynamic parameters in HWZPR ased on the experimental and calculated results

    Energy Technology Data Exchange (ETDEWEB)

    Nasrazadani, Zahra; Behfamia, Manochehar; Khosandi, Jamshid; Mirvakili, Mohammad [Reactors Research School, Nuclear Science And Technology Research Institute, Atomic Energy Organization of Iran, Esfahan (Iran, Islamic Republic of)

    2016-10-15

    The neutron decay constant, α, and effective delayed neutron fraction, β{sub eff}, are important parameters for the control of the dynamic behavior of nuclear reactors. For the heavy water zero power reactor (HWZPR), this document describes the measurements of the neutron decay constant by noise analysis methods, including variance to mean (VTM) ratio and endogenous pulse source (EPS) methods. The measured α is successively used to determine the experimental value of the effective delayed neutron fraction as well. According to the experimental results, β{sub eff} of the HWZPR reactor under study is equal to 7.84e-3. This value is finally used to validate the calculation of the effective delayed neutron fraction by the Monte Carlo methods that are discussed in the document. Using the Monte Carlo N-Particle (MCNP)-4C code, a β{sub eff} value of 7.58e-3 was obtained for the reactor under study. Thus, the relative difference between the β{sub eff} values determined experimentally and by Monte Carlo methods was estimated to be < 4%.

  9. THE CALCULATION OF FAST-NEUTRON ATTENUATION PROBABILITIES THROUGH A NINE- INCH POLYETHYLENE SLAB AND COMPARISON WITH EXPERIMENTAL DATA

    Energy Technology Data Exchange (ETDEWEB)

    Mooney, L. G.

    1963-06-15

    Calculations of neutron penetration probabilities were performed to evaluate the Monte Carlo Multilayer Slab Penetration Procedure. A 9-in. polyethylene alab was chosen for the calculations and results were compared with experimental data. The calculated and measured dose rates agree within 20% for all exit polar angles. The calculations indicate that incident neutrons with energies less than 2.5 Mev do not contribute significantly to the transmitted dose rate. (auth)

  10. A general technique for confluence of calculational and experimental information with application to power distribution determination

    International Nuclear Information System (INIS)

    Serov, I.V.; Hoogenboom, J.E.

    1994-01-01

    Physical quantities can be obtained by utilizing different informational sources. The available information is usually associated with systematic and statistical errors. If the informational sources are utilized simultaneously, then it is possible to obtain posterior estimates of the quantities with better statistical properties than exhibited by any prior estimates. The general technique for confluence of any number possibly dependent informational sources can be developed. Insight into the nature of the informational source allows different types of data associated with the source to be improved. The formulas of the technique are presented and applied to the power distribution determination for research reactor HOR of the Delft University of Technology, employing calculational and experimental data. (authors). 5 refs., 1 tab., 5 figs

  11. Simple experimentally derived algorithm for computer calculated dose rates associated with /sup 137/Cs gynecologic insertions

    Energy Technology Data Exchange (ETDEWEB)

    Wrede, D E; Dawalibi, H [King Faisal Specialist Hospital and Research Centre, Department of Medical Physics. Riyadh (Saudi Arabia)

    1980-01-01

    A simple mathematical algorithm is derived from experimental data for dose rates from /sup 137/Cs sources in a finite tissue equivalent medium corresponding to the female pelvis. An analytical expression for a point source of /sup 137/Cs along with a simple numerical integration routine allows for rapid as well as accurate dose rate calculations at points of interest for gynecologic insertions. When compared with theoretical models assuming an infinite unit density medium, the measured dose rates are found to be systematically lower at distances away from a single source; 5 per cent at 2 cm and 10 per cent at 7 cm along the transverse axis. Allowance in the program for print out of dose rates from individual sources to a given point and the feature of source strength modification allows for optimization in terms of increasing the difference in dose rate between reference treatment points and sensitive structures such as the bladder, rectum and colon.

  12. Simple experimentally derived algorithm for computer calculated dose rates associated with 137Cs gynecologic insertions

    International Nuclear Information System (INIS)

    Wrede, D.E.; Dawalibi, H.

    1980-01-01

    A simple mathematical algorithm is derived from experimental data for dose rates from 137 Cs sources in a finite tissue equivalent medium corresponding to the female pelvis. An analytical expression for a point source of 137 Cs along with a simple numerical integration routine allows for rapid as well as accurate dose rate calculations at points of interest for gynecologic insertions. When compared with theoretical models assuming an infinite unit density medium, the measured dose rates are found to be systematically lower at distances away from a single source; 5 per cent at 2 cm and 10 per cent at 7 cm along the transverse axis. Allowance in the program for print out of dose rates from individual sources to a given point and the feature of source strength modification allows for optimization in terms of increasing the difference in dose rate between reference treatment points and sensitive structures such as the bladder, rectum and colon. (Auth.)

  13. First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

    DEFF Research Database (Denmark)

    Jones, Glenn; Jakobsen, Jon Geest; Shim, Signe Sarah

    2008-01-01

    This paper presents a detailed analysis of the steam reforming process front first-principles calculations, supported by insight from experimental investigations. In the present work we employ recently recognised scaling relationships for adsorption energies of simple molecules adsorbed at pure...... metal Surfaces to develop an overview of the steam reforming process catalyzed by a range of transition metal surfaces. By combining scaling relationships with thermodynamic and kinetic analysis, we show that it is possible to determine the reactivity trends of the pure metals for methane steam...... in situ TEM measurements under a hydrogen atmosphere. The overall agreement between theory and experiment (at 773 K, 1 bar pressure and 10% conversion) is found to be excellent with Ru and Rh being the most active pure transition metals for methane steam reforming, while Ni, Ir, Pt, and Pd...

  14. Calculation of fast neutron flux in reactor pressure tubes and experimental facilities

    Energy Technology Data Exchange (ETDEWEB)

    Barnett, P. C. [Canadian General Electric (Canada)

    1968-07-15

    The computer program EPITHET was used to calculate the fast neutron flux (>1 MeV) in several reactor pressure tubes and experimental facilities in order to compare the fast neutron flux in the different cases and to provide a self-consistent set of flux values which may be used to relate creep strain to fast neutron flux . The facilities considered are shown below together with the calculated fast neutron flux (>1 MeV). Fast flux 10{sup 13} n/cm{sup 2}s: NPD 1.14, Douglas Point 2.66, Pickering 2.89, Gentilly 2.35, SGHWR 3.65, NRU U-1 and U-2 3.25'' pressure tube - 19 element fuel 3.05, NRU U-1 and U-2 4.07'' pressure tube - 28 element fuel 3.18, NRU U-1 and U-2 4.07'' pressure tube - 18 element fuel 2.90, NRX X-5 0.88, PRTR Mk I fuel 2.81, PRTR HPD fuel 3.52, WR-1 2.73, Mk IV creep machine (NRX) 0.85, Mk VI creep machine (NRU) 2.04, Biaxial creep insert (NRU U-49) 2.61.

  15. Pretest parametric calculations for the heated pillar experiment in the WIPP In-Situ Experimental Area

    International Nuclear Information System (INIS)

    Branstetter, L.J.

    1983-03-01

    Results are presented for a pretest parametric study of several configurations and heat loads for the heated pillar experiment (Room H) in the Waste Isolation Pilot Plant (WIPP) In Situ Experimental Area. The purpose of this study is to serve as a basis for selection of a final experiment geometry and heat load. The experiment consists of a pillar of undisturbed rock salt surrounded by an excavated annular room. The pillar surface is covered by a blanket heat source which is externally insulated. A total of five thermal and ten structural calculations are described in a four to five year experimental time frame. Results are presented which include relevant temperature-time histories, deformations, rock salt stress component and effective stress profiles, and maximum stresses in anhydrite layers which are in close proximity to the room. Also included are predicted contours of a conservative post-processed measure of potential salt failure. Observed displacement histories are seen to be highly dependent on pillar and room height, but insensitive to other geometrical variations. The use of a tensile cutoff across slidelines is seen to produce more accurate predictions of anhydrite maximum stress, but to have little effect on rock salt stresses. The potential for salt failure is seen to be small in each case for the time frame of interest, and is only seen at longer times in the center of the room floor

  16. Calculation of kinetic parameters of Caliban metallic core experimental reactor from stochastic neutron measurements

    Energy Technology Data Exchange (ETDEWEB)

    Casoli, P.; Authier, N.; Baud, J. [Commissariat a l' energie Atomique, Centre de Valduc, 21120 Is-sur-Tille (France)

    2009-07-01

    Several experimental devices are operated by the Criticality and Neutron Science Research Department of the CEA Valduc Laboratory. One of these is the metallic core reactor Caliban. The knowledge of the fundamental kinetic parameters of the reactor is very useful, indeed necessary, to the operator. The purpose of this study was to develop and perform experiments allowing to determinate some of these parameters. The prompt neutron decay constant and particularly its value at criticality can be measured with reactor noise techniques such as the interval-distribution, the Feynman variance-to-mean, and the Rossi-{alpha} methods. By introducing the Nelson number, the effective delayed neutron fraction and the average neutron lifetime can also be calculated with the Rossi-{alpha} method. Subcritical, critical, and even supercritical experiments were performed. With the Rossi-{alpha} technique, it was found that the prompt neutron decay constant at criticality was (6.02*10{sup 5} {+-} 9%). Experiments also brought out the limitations of the used experimental parameters. (authors)

  17. Monte Carlo calculations and experimental measurements of dosimetric parameters of the IRA-103Pd source

    International Nuclear Information System (INIS)

    Sadeghi, Mahdi; Hosseini, Hamed; Raisali, Gholamreza

    2008-01-01

    Full text: The use of 103 Pd seed sources for permanent prostate implantation has become a popular brachytherapy application. As recommended by AAPM the dosimetric characteristics of the new source must be determined using experimental and Monte Carlo simulations, before its use in clinical applications thus The goal of this report is the experimental and theoretical determination of the dosimetric characteristics of this source following the recommendations in the AAPM TG-43U1 protocol. Figure 1 shows the geometry of the IRA- 103 Pd source. The source consists of a cylindrical silver core, 0.3 cm long x 0.05 cm in diameter, onto which 0.5 nm layer of 103 Pd has been uniformly adsorbed. The effective active length of source is 0.3 cm and the silver core encapsulated inside a hollow titanium tube with 0.45 cm long, 0.07 cm and 0.08 inner and outer diameters and two caps. The Monte Carlo N-Particle (MCNP) code, version 4C, was used to determine the relevant dosimetric parameters of the source. The geometry of the Monte Carlo simulation performed in this study consisted of a sphere with 30 cm diameter. Dose distributions around this source were measured in two Perspex phantom using enough TLD chips. For these measurements, slabs of Perspex material were machined to accommodate the source and TLD chips. A value of 0.67± 1% cGy.h -1 .U -1 for, Λ, was calculated as the ratio of d(r 0 ,θ 0 ) and s K , that may be compared with Λ values obtained for 103 Pd sources. Result of calculations and measurements values of dosimetric parameters of the source including radial dose function, g(r), and anisotropy function, F(r,θ), has been shown in separate figures. The radial dose function, g(r), for the IRA- 103 Pd source and other 103 Pd sources is included in Fig. 2. Comparison between measured and Monte Carlo simulated dose function, g(r), and anisotropy function, F(r,θ), of this source demonstrated that they are in good agreement with each other and The value of Λ is

  18. Calculating the parameters of experimental data Gauss distribution using the least square fit method and evaluation of their accuracy

    International Nuclear Information System (INIS)

    Guseva, E.V.; Peregudov, V.N.

    1982-01-01

    The FITGAV program for calculation of parameters of the Gauss curve describing experimental data is considered. The calculations are based on the least square fit method. The estimations of errors in the parameter determination as a function of experimental data sample volume and their statistical significance are obtained. The curve fit using 100 points occupies less than 1 s at the SM-4 type computer

  19. Evaluation of the shield calculation adequacy of radiotherapy rooms through Monte Carlo Method and experimental measures

    International Nuclear Information System (INIS)

    Meireles, Ramiro Conceicao

    2016-01-01

    The shielding calculation methodology for radiotherapy services adopted in Brazil and in several countries is that described in publication 151 of the National Council on Radiation Protection and Measurements (NCRP 151). This methodology however, markedly employs several approaches that can impact both in the construction cost and in the radiological safety of the facility. Although this methodology is currently well established by the high level of use, some parameters employed in the calculation methodology did not undergo to a detailed assessment to evaluate the impact of the various approaches considered. In this work the MCNP5 Monte Carlo code was used with the purpose of evaluating the above mentioned approaches. TVLs values were obtained for photons in conventional concrete (2.35g / cm 3 ), considering the energies of 6, 10 and 25 MeV, respectively, first considering an isotropic radiation source impinging perpendicular to the barriers, and subsequently a lead head shielding emitting a shaped beam, in the format of a pyramid trunk. Primary barriers safety margins, taking in account the head shielding emitting photon beam pyramid-shaped in the energies of 6, 10, 15 and 18 MeV were assessed. A study was conducted considering the attenuation provided by the patient's body in the energies of 6,10, 15 and 18 MeV, leading to new attenuation factors. Experimental measurements were performed in a real radiotherapy room, in order to map the leakage radiation emitted by the accelerator head shielding and the results obtained were employed in the Monte Carlo simulation, as well as to validate the entire study. The study results indicate that the TVLs values provided by (NCRP, 2005) show discrepancies in comparison with the values obtained by simulation and that there may be some barriers that are calculated with insufficient thickness. Furthermore, the simulation results show that the additional safety margins considered when calculating the width of the primary

  20. Design, calculation and experimental studies for liquid metal system main parameters in support of the liquid lithium fusion reactor

    International Nuclear Information System (INIS)

    Evtikhin, V.A.; Lyublinski, I.E.; Vertkov, A.V.

    2001-01-01

    A new concept of a Liquid Lithium Fusion Reactor and the first experimental results were presented at the 16th IAEA Conference on Fusion Energy. During the past two years theoretical estimations have been made, and calculated and experimental results have been obtained in confirmation of this concept and supporting its progress. The main results of this work are given in the paper. (author)

  1. Design, calculation and experimental studies for liquid metal system main parameters in support of the liquid lithium fusion reactor

    International Nuclear Information System (INIS)

    Evtikhin, V.A.; Lyublinski, I.E.; Vertkov, A.V.

    1999-01-01

    A new concept of a Liquid Lithium Fusion Reactor and the first experimental results were presented at the 16th IAEA Conference on Fusion Energy. During the past two years theoretical estimations have been made, and calculated and experimental results have been obtained in confirmation of this concept and supporting its progress. The main results of this work are given in the paper. (author)

  2. Experimentally guided Monte Carlo calculations of the atmospheric muon flux for interdisciplinary applications

    International Nuclear Information System (INIS)

    Mitrica, B.; Brancus, I.M.; Toma, G.; Bercuci, A.; Aiftimiei, C.; Wentz, J.; Rebel, H.

    2004-01-01

    Atmospheric muons are produced in the interactions of primary cosmic rays particle with Earth's atmosphere, mainly by the decay of pions and kaons generated in hadronic interactions. They decay further in electrons and positrons and electron and muon neutrinos. Being the penetrating cosmic rays component, the muons manage to pass entirely through the atmosphere and can pass even larger absorbers before they interact with the material at the Earth's surface, and due to cosmogenic production of isotopes by atmospheric muons, information of astrophysical, environmental and material research interest can be obtained. Up to now, mainly semi-analytical approximations have been used to calculate the muon flux for estimating the cosmogenic isotope production, necessary for different applications. Our estimation of the atmospheric muon flux is based on a Monte-Carlo simulation program CORSIKA, in which we simulate the development in the atmosphere of the extensive air showers, using different models for the description of the hadronic interaction. Atmospheric muons are produced in the interactions of primary cosmic rays particle with Earth's atmosphere, mainly by the decay of pions and kaons generated in hadronic interactions. They decay further in electrons and positrons and electron and muon neutrinos. Being the penetrating cosmic rays component, the muons manage to pass entirely through the atmosphere and can pass even larger absorbers before they interact with the material at the Earth's surface, and due to cosmogenic production of isotopes by atmospheric muons, information of astrophysical, environmental and material research interest can be obtained. Up to now, mainly semi-analytical approximations have been used to calculate the muon flux for estimating the cosmogenic isotope production, necessary for different applications. Our estimation of the atmospheric muon flux is based on a Monte-Carlo simulation program CORSIKA, in which we simulates the development in the

  3. Experimental validation of calculated capture rate for nucleus involved in fuel cycle

    International Nuclear Information System (INIS)

    Benslimane-Bouland, A.

    1997-09-01

    The framework of this study was the evaluation of the nuclear data requirements for Actinides and Fission Products applied to current nuclear reactors as well as future applications. This last item includes extended irradiation campaigns, 100 % Mixed Oxide fuel, transmutation or even incineration. The first part of this study presents different types of integral measurements which are available for capture rate measurements, as well as the methods used for reactor core calculation route design and nuclear data library validation. The second section concerns the analysis of three specific irradiation experiments. The results have shown the extent of the current knowledge on nuclear data as well as the associated uncertainties. The third and last section shows both the coherency between all the results, and the statistical method applied for nuclear data library adjustment. A relevant application of this method has demonstrated that only specifically chosen integral experiments can be of use for the validation of nuclear data libraries. The conclusion is reached that even if co-ordinated efforts between reactor and nuclear physicists have made possible a huge improvement in the knowledge of capture cross sections of the main nuclei such as uranium and plutonium, some improvements are currently necessary for the minor actinides (Np, Am and Cm). Both integral and differential measurements are recommended to improve the knowledge of minor actinide cross sections. As far as integral experiments are concerned, a set of criteria to be followed during the experimental conception have been defined in order to both reduce the number of required calculation approximations, and to increase as much as possible the maximum amount of extracted information. (author)

  4. Neutronics model of the bulk shielding reactor (BSR): validation by comparison of calculations with the experimental measurements

    International Nuclear Information System (INIS)

    Johnson, J.O.; Miller, L.F.; Kam, F.B.K.

    1981-05-01

    A neutronics model for the Oak Ridge National Laboratory Bulk Shielding Reactor (ORNL-SAR) was developed and verified by experimental measurements. A cross-section library was generated from the 218 group Master Library using the AMPX Block Code system. A series of one-, two-, and three-dimensional neutronics calculations were performed utilizing both transport and diffusion theory. Spectral comparison was made with 58 Ni(n,p) reaction. The results of the comparison between the calculational model and other experimental measurements showed agreement within 10% and therefore the model was determined to be adequate for calculating the neutron fluence for future irradiation experiments in the ORNL-BSR

  5. The Numerical Calculation and Experimental Measurement of the Inductance Parameters for Permanent Magnet Synchronous Motor in Electric Vehicle

    Science.gov (United States)

    Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

    2017-12-01

    A permanent magnet synchronous motor with radial magnetic circuit and built-in permanent magnet is designed for the electric vehicle. Finite element numerical calculation and experimental measurement are adopted to obtain the direct axis and quadrature axis inductance parameters of the motor which are vital important for the motor control. The calculation method is simple, the measuring principle is clear, the results of numerical calculation and experimental measurement are mutual confirmation. A quick and effective method is provided to obtain the direct axis and quadrature axis inductance parameters of the motor, and then improve the design of motor or adjust the control parameters of the motor controller.

  6. Neutronics model of the bulk shielding reactor (BSR): validation by comparison of calculations with the experimental measurements

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J.O.; Miller, L.F.; Kam, F.B.K.

    1981-05-01

    A neutronics model for the Oak Ridge National Laboratory Bulk Shielding Reactor (ORNL-SAR) was developed and verified by experimental measurements. A cross-section library was generated from the 218 group Master Library using the AMPX Block Code system. A series of one-, two-, and three-dimensional neutronics calculations were performed utilizing both transport and diffusion theory. Spectral comparison was made with /sup 58/Ni(n,p) reaction. The results of the comparison between the calculational model and other experimental measurements showed agreement within 10% and therefore the model was determined to be adequate for calculating the neutron fluence for future irradiation experiments in the ORNL-BSR.

  7. Calculation and experimental estimation of the equation of state of irradiated fuel

    Energy Technology Data Exchange (ETDEWEB)

    Bober, M; Breitung, W; Karow, H U; Schumacher, G [Gesellschaft fuer Kernforschung mbH, INR Kernforschungszentrum, Karlsruhe (Germany)

    1977-07-01

    The gas pressure development in an irradiated mixed oxide fuel is mainly influenced by fission gases and volatile fission products in the temperature range below the melting point and by the fuel material itself and the less volatile fission products in the temperature region above 4000 K. Besides the temperature the important factors for the vapor pressure are the oxygen potential of the fuel and the concentration of fission products in the fuel. As demonstrated previously the oxygen potential influences strongly the pressure of vapor species above (U Pu)O{sub 2}. The pressure of the species U, UO, UO{sub 2}, Pu, PuO, PuO{sub 2} varies over a range of more than five orders of magnitude by variation of the oxygen potential at 2000 K. Similar effects were observed with oxides of the fission products. Fission products dissolved in mixed oxide fuel on the other hand can influence significantly the oxygen potential of the irradiated mixed oxide. In the first paragraph of the paper an attempt is made to calculate oxygen potentials of mixed oxides containing dissolved fission products. The model used is based on the equilibrium of oxygen defects in the mixed oxide. The chemical state and distribution of fission products is a further behavior that should be considered in calculation of the local and overall pressures and behavior of the fuel. Fission products were transported during the irradiation time and collect at different positions within the fuel pin. This process can produce high local concentrations of fission products, thus enabling elements with low overall concentrations to reach their saturation pressure. The distribution of fission products and their behavior in irradiated mixed oxide fuel is described in the second paragraph. The third paragraph deals with the calculation of vapor pressures that has been conducted using a model described for uranium-plutonium mixed oxides. This model is based on the law of mass action and provides vapor pressures as a

  8. Development and experimental qualification of a calculation scheme for the evaluation of gamma heating in experimental reactors. Application to MARIA and Jules Horowitz (JHR) MTR Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Tarchalski, M.; Pytel, K.; Wroblewska, M.; Marcinkowska, Z.; Boettcher, A.; Prokopowicz, R. [NCBJ Institute, MARIA Reactor, ul.Andrzeja Soltana 7, 05-400 Swierk (Poland); Sireta, P.; Gonnier, C.; Bignan, G. [CEA, DEN, Reactor Studies Department, Cadarache, F-13108 St-Paul-Lez-Durance (France); Lyoussi, A.; Fourmentel, D.; Barbot, L.; Villard, J.F.; Destouches, C. [CEA, DEN, DER, Instrumentation Sensors and Dosimetry Laboratory, Cadarache, F-13108 St-Paul-Lez-Durance (France); Reynard-Carette, C.; Brun, J. [Aix Marseille Universite, CNRS, Universite de Toulon, IM2NP UMR 7334, 13397, Marseille (France); Jagielski, J. [NCBJ Institute, MARIA Reactor, ul.Andrzeja Soltana 7, 05-400 Swierk (Poland); Institute of Electronic Materials Technolgy, Wolczynska 133, 01-919 Warszawa (Poland); Luks, A. [Institute of Heat Engineering, Nowowiejska 21/25, 00-665 Warsaw (Poland)

    2015-07-01

    Precise computational determination of nuclear heating which consists predominantly of gamma heating (more than 80 %) is one of the challenges in material testing reactor exploitation. Due to sophisticated construction and conditions of experimental programs planned in JHR it became essential to use most accurate and precise gamma heating model. Before the JHR starts to operate, gamma heating evaluation methods need to be developed and qualified in other experimental reactor facilities. This is done inter alia using OSIRIS, MINERVE or EOLE research reactors in France. Furthermore, MARIA - Polish material testing reactor - has been chosen to contribute to the qualification of gamma heating calculation schemes/tools. This reactor has some characteristics close to those of JHR (beryllium usage, fuel element geometry). To evaluate gamma heating in JHR and MARIA reactors, both simulation tools and experimental program have been developed and performed. For gamma heating simulation, new calculation scheme and gamma heating model of MARIA have been carried out using TRIPOLI4 and APOLLO2 codes. Calculation outcome has been verified by comparison to experimental measurements in MARIA reactor. To have more precise calculation results, model of MARIA in TRIPOLI4 has been made using the whole geometry of the core. This has been done for the first time in the history of MARIA reactor and was complex due to cut cone shape of all its elements. Material composition of burnt fuel elements has been implemented from APOLLO2 calculations. An experiment for nuclear heating measurements and calculation verification has been done in September 2014. This involved neutron, photon and nuclear heating measurements at selected locations in MARIA reactor using in particular Rh SPND, Ag SPND, Ionization Chamber (all three from CEA), KAROLINA calorimeter (NCBJ) and Gamma Thermometer (CEA/SCK CEN). Measurements were done in forty points using four channels. Maximal nuclear heating evaluated from

  9. Optical Properties of Biomass Burning Aerosols: Comparison of Experimental Measurements and T-Matrix Calculations

    Directory of Open Access Journals (Sweden)

    Samin Poudel

    2017-11-01

    Full Text Available The refractive index (RI is an important parameter in describing the radiative impacts of aerosols. It is important to constrain the RI of aerosol components, since there is still significant uncertainty regarding the RI of biomass burning aerosols. Experimentally measured extinction cross-sections, scattering cross-sections, and single scattering albedos for white pine biomass burning (BB aerosols under two different burning and sampling conditions were modeled using T-matrix theory. The refractive indices were extracted from these calculations. Experimental measurements were conducted using a cavity ring-down spectrometer to measure the extinction, and a nephelometer to measure the scattering of size-selected aerosols. BB aerosols were obtained by burning white pine using (1 an open fire in a burn drum, where the aerosols were collected in distilled water using an impinger, and then re-aerosolized after several days, and (2 a tube furnace to directly introduce the BB aerosols into an indoor smog chamber, where BB aerosols were then sampled directly. In both cases, filter samples were also collected, and electron microscopy images were used to obtain the morphology and size information used in the T-matrix calculations. The effective radius of the particles collected on filter media from the open fire was approximately 245 nm, whereas it was approximately 76 nm for particles from the tube furnace burns. For samples collected in distilled water, the real part of the RI increased with increasing particle size, and the imaginary part decreased. The imaginary part of the RI was also significantly larger than the reported values for fresh BB aerosol samples. For the particles generated in the tube furnace, the real part of the RI decreased with particle size, and the imaginary part was much smaller and nearly constant. The RI is sensitive to particle size and sampling method, but there was no wavelength dependence over the range considered (500

  10. MHD stability of JET high performance discharges. Comparison of MHD calculations with experimental observations

    International Nuclear Information System (INIS)

    Huysmans, G.

    1998-03-01

    One of the aims of the JET, the Joint European Torus, project is to optimise the maximum fusion performance as measured by the neutron rate. At present, two different scenarios are developed at JET to achieve the high performance the so-called Hot-Ion H-mode scenario and the more recent development of the Optimised Shear scenario. Both scenarios have reached similar values of the neutron rate in Deuterium plasmas, up to 5 10 17 neutrons/second. Both scenarios are characterised by a transport barrier, i.e., a region in the plasma where the confinement is improved. The Hot-Ion H-mode has a transport barrier at the plasma boundary just inside the separatrix, an Optimised Shear plasma exhibits a transport barrier at about mid radius. Associated with the improved confinement of the transport barriers are locally large pressure gradients. It is these pressure gradients which, either directly or indirectly, can drive MHD instabilities. The instabilities limit the maximum performance. In the optimised shear scenario a global MHD instability leads to a disruptive end of the discharge. In the Hot-Ion H-mode plasmas, so-called Outer Modes can occur which are localised at the plasma boundary and lead to a saturation of the plasma performance. In this paper, two examples of the MHD instabilities are discussed and identified by comparing the experimentally observed modes with theoretical calculations from the ideal MHD code MISHKA-1. Also, the MHD stability boundaries of the two scenarios are presented. Section 3 contains a discussion of the mode observed just before the disruption

  11. Experimental study and calculation of boiling heat transfer on steel plates during runout table operation

    International Nuclear Information System (INIS)

    Liu, Z.D.; Fraser, D.; Samarasekera, I.V.

    2002-01-01

    Within a hot strip steel mill, red hot steel is hot rolled into a long continuous slab that is led onto what is called the runout table. Temperatures of the steel at the beginning of this table are around 900 o C. Above and below the runout table are banks of water jets, sprays or water curtains that rapidly cool the steel slab. The heat transfer process itself may be considered one of the most complicated in the industrial world. The cooling process that occurs on the runout table is crucial and governs the final mechanical properties and flatness of a steel strip. However, very limited data of industrial conditions has been available and that which is available is poorly understood. To study heat transfer during runout table cooling, an industrial scale pilot runout table facility was constructed at the University of British Columbia (UBC). This paper describes the experimental details, data acquisition and data handling techniques for steel plates during water jet impingement cooling by one circular water jet from industrial headers. The effect of cooling water temperature and initial steel plate temperature as well as varying water jet diameters on heat transfer was systematically investigated. A two-dimensional finite element scheme based inverse heat conduction model was developed to calculate surface heat transfer coefficients along the impinging surface. Heat flux curves at the stagnation area were obtained for selected tests. A quantitative relationship between adjustable processing parameters and heat transfer coefficients along the impinging surface during runout table operation is discussed. The results of the study were used to upgrade an extensive process model developed at UBC. The model ties in the cooling rate and hence two dimensional temperature gradients to the resulting microstructure and final mechanical properties of the steel. This process model is widely used by major steel industries in Canada and the United States. (author)

  12. Investigations concerning the evaluation of discrepancies between calculated and experimentally provable efficiency of UV-plants for disinfection of water

    International Nuclear Information System (INIS)

    Leuker, G.; Hingst, V.

    1992-01-01

    Using three UV-plants of different technical designs for water disinfection, we studied the conformity between experimental germ reduction using standard test organisms and calculated UV-doses under various water flow conditions. Taking into consideration the style of construction of the UV-plants, the irradiation area and the layer thickness were used as constant parameters for dose calculations. This was also employed for the irradiation intensity, since the experiments were performed for a relatively short period compared of the life span of the UV-irradiators. Both exposure time and water transmission were employed as variable parameters in the dose calculations and experimental procedures respectively. The calculated UV-dose and experimentally obtained germ reduction values were comparatively the same for two of the three UV-plants studied. However, no correlation was observed between the reduction of E. coli and the corresponding calculated UV-dose values. Therefore, the calculated UV-dose values for any given UV-plant should be considered to be relative and by no means absolute values. We are of the opinion that within a certain range of water flow rate and transmission, antimicrobial effectiveness of different UV-plants should be demonstrated independent of dose values, technical and other construction characteristics. The applicability of the UV-plants studied is discussed [de

  13. Calculation analysis of the neutronic experimental data coming from the NUR reactor start-up

    International Nuclear Information System (INIS)

    Madariaga, M.; Villarino, E.; Relloso, J.; Rubio, R

    1991-01-01

    NUR is a new MTR reactor located in Argelia which became critical in march 1989. It is loaded with a 19 plates LEU Fe. This paper contains: a) Reactivity measurements in the first cores technical information about the Fe and some other data necessary for performing cell and reactor calculations b) calculation comparisons with the measured values (2-D and 3-D calculations) with an statistical analysis of the data set from the control rod calibration. (orig.)

  14. Conservatism of loss-of-coolant accident licensing analysis compared to experimental results and best-estimate calculation

    International Nuclear Information System (INIS)

    Winkler, F.; Friedmann, P.

    1986-01-01

    The paper compares results of loss-of-coolant accident licensing analysis with experimental results and results of best-estimate calculations. The large safety margins resulting from the more realistic best-estimate results are used to show the high conservatism inherent in the licensing process of pressurized water reactors. (orig.) [de

  15. Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations

    International Nuclear Information System (INIS)

    Streek, Jacco van de; Neumann, Marcus A.

    2010-01-01

    The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst. Section E. This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 Å either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect

  16. Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

    CERN Document Server

    Jones, R; Gutiérrez-Sosa, A; Bangert, U; Heggie, M I; Blumenau, A T; Frauenheim, T; Briddon, P R

    2002-01-01

    First-principles calculations of electron energy loss (EEL) spectra for bulk GaN and diamond are compared with experimental spectra acquired with a scanning tunnelling electron microscope offering ultra-high-energy resolution in low-loss energy spectroscopy. The theoretical bulk low-loss EEL spectra, in the E sub g to 10 eV range, are in good agreement with experimental data. Spatially resolved spectra from dislocated regions in both materials are distinct from bulk spectra. The main effects are, however, confined to energy losses lying above the band edge. The calculated spectra for low-energy dislocations in diamond are consistent with the experimental observations, but difficulties remain in understanding the spectra of threading dislocations in GaN.

  17. The effectiveness of an e-learning course on medication calculation in nursing students: a clustered quasi-experimental study.

    Science.gov (United States)

    Van Lancker, Aurélie; Baldewijns, Katleen; Verhaeghe, Rik; Robays, Hugo; Buyle, Franky; Colman, Roos; Van Hecke, Ann

    2016-09-01

    To evaluate the effectiveness of an e-learning course compared with a face-to-face lecture on medication calculation. The current knowledge on medication calculation of nursing students and nurses is insufficient to provide safe care. A stratified-clustered quasi-experimental study. A random selection of nursing schools were allocated to the e-learning course (intervention group) (seven schools; 189 students) or face-to-face lecture (control group) (six schools, 222 students). Students in both groups completed a validated medication calculation test (maximum score: 16) prior to the course (T0), immediately after the course (T1) and 3 months later (T2). A linear mixed model was used for data analysis. Medication calculation skills improved significantly more by the face-to-face lecture than e-learning course. Students in both groups significantly improved in medication calculation skills immediately after the course (T1) and 3 months later. The results flattened at T2 with a significant decline in the intervention group between T1 and T2 and a non-significant decline in the control group. Based on a subgroup analysis, improvement in medication calculation skills at T2 could only be observed in vocational-level (sub degree) nursing students receiving a face-to-face course. Both medication calculation courses had a positive effect on medication calculation skills. Students receiving traditional face-to-face lecture improved significantly more than the students receiving the e-learning course. © 2016 John Wiley & Sons Ltd.

  18. Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations.

    Science.gov (United States)

    van de Streek, Jacco; Neumann, Marcus A

    2010-10-01

    This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

  19. Patient-specific IMRT verification using independent fluence-based dose calculation software: experimental benchmarking and initial clinical experience

    International Nuclear Information System (INIS)

    Georg, Dietmar; Stock, Markus; Kroupa, Bernhard; Olofsson, Joergen; Nyholm, Tufve; Ahnesjoe, Anders; Karlsson, Mikael

    2007-01-01

    Experimental methods are commonly used for patient-specific intensity-modulated radiotherapy (IMRT) verification. The purpose of this study was to investigate the accuracy and performance of independent dose calculation software (denoted as 'MUV' (monitor unit verification)) for patient-specific quality assurance (QA). 52 patients receiving step-and-shoot IMRT were considered. IMRT plans were recalculated by the treatment planning systems (TPS) in a dedicated QA phantom, in which an experimental 1D and 2D verification (0.3 cm 3 ionization chamber; films) was performed. Additionally, an independent dose calculation was performed. The fluence-based algorithm of MUV accounts for collimator transmission, rounded leaf ends, tongue-and-groove effect, backscatter to the monitor chamber and scatter from the flattening filter. The dose calculation utilizes a pencil beam model based on a beam quality index. DICOM RT files from patient plans, exported from the TPS, were directly used as patient-specific input data in MUV. For composite IMRT plans, average deviations in the high dose region between ionization chamber measurements and point dose calculations performed with the TPS and MUV were 1.6 ± 1.2% and 0.5 ± 1.1% (1 S.D.). The dose deviations between MUV and TPS slightly depended on the distance from the isocentre position. For individual intensity-modulated beams (total 367), an average deviation of 1.1 ± 2.9% was determined between calculations performed with the TPS and with MUV, with maximum deviations up to 14%. However, absolute dose deviations were mostly less than 3 cGy. Based on the current results, we aim to apply a confidence limit of 3% (with respect to the prescribed dose) or 6 cGy for routine IMRT verification. For off-axis points at distances larger than 5 cm and for low dose regions, we consider 5% dose deviation or 10 cGy acceptable. The time needed for an independent calculation compares very favourably with the net time for an experimental approach

  20. Water solubility in monzogranite melts: experimental and calculated water contents at 6 kbar

    OpenAIRE

    García Moreno, Olga; Castro Dorado, Antonio; Corretgé, Luis Guillermo

    2002-01-01

    Several piston-cylinder crystallisation experiments have been performed with a synthetic monzogranitic glass with different initial water contents at 6 kbar. Comparison with calculated water contents shows: 1) some differences of the order of 10% of XH2Q; 2) "non-linear" behaviour in XH2C/T curves; and 3) similar pattern in the XH2JT curves in both measured and calculated data. Resumen Se han realizado varios experimentos de cristalización en aparatos "piston-cylinder" a 6 kbar, u...

  1. Experimental verification of photon: A program for use in x-ray shielding calculations

    International Nuclear Information System (INIS)

    Brauer, E.; Thomlinson, W.

    1987-01-01

    At the National Synchrotron Light Source, a computer program named PHOTON has been developed to calculate radiation dose values around a beam line. The output from the program must be an accurate guide to beam line shielding. To test the program, a series of measurements of radiation dose were carried out using existing beam lines; the results were compared to the theoretical calculations of PHOTON. Several different scattering geometries, scattering materials, and sets of walls and shielding materials were studied. Results of the measurements allowed many advances to be made in the program, ultimately resulting in good agreement between the theory and experiment. 3 refs., 6 figs

  2. Test particle calculations for the Texas experimental tokamak with resonant magnetic fields

    International Nuclear Information System (INIS)

    Wootton, A.J.; McCool, S.C.; Zheng, S.

    1991-01-01

    This paper presents a simple test particle model that attempts to describe particle motion in the presence of intrinsic electrostatic fluctuations in a prescribed tokamak magnetic field. In particular, magnetic field configurations that include externally produced magnetic islands and stochastic regions are considered. The resulting test particle transport is compared with the predictions of analytic models and with the experimentally measured electron heat and particle transport on the Texas Experimental Tokamak (TEXT). Agreement between the test particle results and applicable analytic theories is found. However, there is only partial agreement with the experimental results, and possible reasons for the discrepancies are explored. Good agreement is found between predicted and measured spatially asymmetric particle distributions. The particle collection efficiency of an apertured limiter inside a magnetic island (an intra-island pump limiter) is discussed

  3. Calculation with MCNP of capture photon flux in VVER-1000 experimental reactor.

    Science.gov (United States)

    Töre, Candan; Ortego, Pedro

    2005-01-01

    The aim of this study is to obtain by Monte Carlo method the high energy photon flux due to neutron capture in the internals and vessel layers of the experimental reactor LR-0 located in REZ, Czech Republic, and loaded with VVER-1000 fuel. The calclated neutron, photon and photon to neutron flux ratio are compared with experimental measurements performed with a multi-parameter stilbene detector. The results show clear underestimation of photon flux in downcomer and some overestimation at vessel surface and 1/4 thickness but a good fitting for deeper points in vessel.

  4. Experimental validation of depletion calculations with VESTA 2.1.5 using JEFF-3.2

    Directory of Open Access Journals (Sweden)

    Haeck Wim

    2017-01-01

    Full Text Available The removal of decay heat is a significant safety concern in nuclear engineering for the operation of a nuclear reactor both in normal and accidental conditions and for intermediate and long term waste storage facilities. The correct evaluation of the decay heat produced by an irradiated material requires first of all the calculation of the composition of the irradiated material by depletion codes such as VESTA 2.1, currently under development at IRSN in France. A set of PWR assembly decay heat measurements performed by the Swedish Central Interim Storage Facility (CLAB located in Oskarshamm (Sweden have been calculated using different nuclear data libraries: ENDF/B-VII.0, JEFF-3.1, JEFF-3.2 and JEFF-3.3T1. Using these nuclear data libraries, VESTA 2.1 calculates the assembly decay heat for almost all cases within 4% of the measured decay heat. On average, the ENDF/B-VII.0 calculated decay heat values appear to give a systematic underestimation of only 0.5%. When using the JEFF-3.1 library, this results a systematic underestimation of about 2%. By switching to the JEFF-3.2 library, this systematic underestimation is improved slighty (up to 1.5%. The changes made in the JEFF-3.3T1 beta library appear to be overcorrecting, as the systematic underestimation is transformed into a systematic overestimation of about 1.5%.

  5. Activation calculation and environmental safety analysis for fusion experimental breeder (FEB)

    Energy Technology Data Exchange (ETDEWEB)

    Kaiming, Feng [Southwest Inst. of Physics, Leshan, SC (China)

    1996-04-01

    An activation calculation code FDKR and decay chain data library AFDCDLIB are used to calculate the radioactivity, decay heat, dose rate and biological hazard potential (BHP) form activation products, actinides and fission products in a Fusion Experiment Breeder (FEB). The code and library are introduced briefly, and calculation results and decay curves of related hazards after one year operation with 150 MW fusion power are given. The total radioactivity inventory, decay heat and BHP are 5.74 x 10{sup 20} Bq, 8.34 MW and 4.08 x 10{sup 8} km{sup 3} of air, respectively, at shutdown. Results obtained show that the first wall of FEB can meet the nuclear waste disposal criteria for the NRC 10 CFR61 Class C after a few weeks from shutdown. The inventory of important actinides for the fuel reprocessing, such as {sup 232}U and {sup 237}Np were also calculated. It was shown that their concentrations do not excess the limit value of environmental safety required. (9 refs., 4 figs., 9 tabs.).

  6. Developing new calculational and experimental techniques for studying the WWER reactor cores and characteristics

    International Nuclear Information System (INIS)

    Zakharko, Yu.A.; Proshkin, A.A.

    1986-01-01

    Necessity of analytical approaches alongside with existing numerical methods of fuel element calculation is discussed. Analytical solutions of viscoelastic equations describing mechanical fuel-cladding interaction have been obtained. At that universal temperature dependence of creep characteristics is suggested. Dependence of behaviour of the WWER fuel element fuel and cladding on absolute temperature level and gradients is analysed

  7. Validation of photon-heating calculations in irradiation reactor with the experimental AMMON program and the CARMEN device

    International Nuclear Information System (INIS)

    Lemaire, Matthieu

    2015-01-01

    The temperature in the different core structures of Material-Testing Reactors (MTR) is a key physical parameter for MTRs' performance and safety. In nuclear reactors, where neutron and photon flux are sustained by fission chain reactions, neutrons and photons steadily deposit energy in the structures they cross and lead to a temperature rise in these structures. In non-fissile core structures (such as material samples, experimental devices, control rods, fuel claddings, and so on), the main part of nuclear heating is induced by photon interactions. This photon heating must therefore be well calculated as it is a key input parameter for MTR thermal studies, whose purpose is for instance to help determine the proper sizing of cooling power, electrical heaters and insulation gaps in MTR irradiation devices. The Jules Horowitz Reactor (JHR) is the next international MTR under construction in the south of France at CEA Cadarache research center (French Alternative Energies and Atomic Energy Commission). The JHR will be a major research infrastructure for the test of structural material and fuel behavior under irradiation. It will also produce from 25% to 50% of the European demand of medical radioisotopes for diagnostic purposes. High levels of nuclear heating are expected in the JHR core, with an absorbed-dose rate up to 20 watts per hafnium gram at nominal power (100 MW). Compared to a Pressurized-Water Reactor (PWR), the JHR is made of a specific array of materials (aluminum rack, beryllium reflector, hafnium control rods) and the feedback on photon-heating calculations with these features is limited. It is therefore necessary to validate photon-heating calculation tools (calculation codes and the European nuclear-data JEFF3.1.1 library) for use in the JHR, that is, it is necessary to determine the biases and uncertainties that are relevant for the photon-heating values calculated with these tools in the JHR. This topic constitutes the core of the present

  8. Experimental validation for calcul methods of structures having shock non-linearity

    International Nuclear Information System (INIS)

    Brochard, D.; Buland, P.

    1987-01-01

    For the seismic analysis of non-linear structures, numerical methods have been developed which need to be validated on experimental results. The aim of this paper is to present the design method of a test program which results will be used for this purpose. Some applications to nuclear components will illustrate this presentation [fr

  9. Density functional theory calculations establish the experimental evidence of the DX center atomic structure in CdTe.

    Science.gov (United States)

    Lany, Stephan; Wolf, Herbert; Wichert, Thomas

    2004-06-04

    The In DX center and the DX-like configuration of the Cd host atom in CdTe are investigated using density functional theory. The simultaneous calculation of the atomic structure and the electric field gradient (EFG) allows one to correlate the theoretically predicted structure of the DX center with an experimental observable, namely, the EFG obtained from radioactive 111In/111Cd probe atoms in In doped CdTe. In this way, the experimental identification of the DX center structure is established.

  10. Comparison of calculated and experimental results of fuel bunching in VERA assemblies 1B, 3A and 5A

    International Nuclear Information System (INIS)

    Matthews, J.D.

    1964-12-01

    Comparison is made of experimental and calculated reactivity changes when the fuel plates of the VERA assemblies are bunched from 1/8 in. thickness to 1/2 in. In addition, U238 fine structure reaction rates are studied. The method used is that investigated in detail by James and Matthews ('A Perturbation Method for Multigroup Neutron Transport Calculations in Plane Lattices', AEEW - R 219), while the multigroup data sets used are both those of Yiftah, Okrent and Moldauer, and Roach. The method and data give only rough agreement with experimental reactivity changes, with a tendency to over-predict the results. U238 fission rates are in better agreement, though the method predicts too small a variation for the U238 capture rate across a cell. (author)

  11. Uranium and radium in Finnsjoen - an experimental approach for calculation of transfer factors

    International Nuclear Information System (INIS)

    Evans, S.; Bergman, R.

    1981-01-01

    The radiological safety studies for underground disposal of HLW show that the future individual and collective doses to an important extent may originate from groundwater borne radium and uranium which reach the biosphere. Indications that the dispersion rates presently used give rise to overestimations of calculated doses justified an investigation for more realistic turnover rates of radium and uranium than those which now are in use. Within one of the sites selected for testing, the area around lake Finnsjoen, a small number of environmental samples were collected and analyzed with respect to radium and uranium and the new transfer coefficients between soil and lake water were derived. The dose rates obtained with the new transfer factors show a close agreement for radium and a slight increase for uranium compared with earlier calculations. (Auth.)

  12. Experimental validation of calculated capture rate for nucleus involved in fuel cycle

    International Nuclear Information System (INIS)

    Benslimane-Bouland, A.

    1997-01-01

    This work has been realized in the framework of the estimation of actinides and fission products nuclear data for the today and future reactors. The first part presents the existing integral experiments for the calculated capture rate and the methods used in the design of reactor cores calculation formulary. The second part is devoted to the interpretation of three specific irradiation experiments which allow the evaluation of the today knowledge on studied data and their associated uncertainties. The last part presents a synthesis of results and the statistical methods used for the adjustment of data bases. This work shows that, in spite of the reactors Physics progresses on the knowledge of uranium and plutonium capture cross sections, uncertainties remain for minor actinides. (A.L.B.)

  13. Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations

    Science.gov (United States)

    Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

    2015-04-01

    A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of Carbamazepine.

  14. Experimental-theoretical approach to carbon monoxide density calculation at the incipient stage of the fire indoors

    Science.gov (United States)

    Puzach, S. V.; Suleykin, E. V.; Akperov, R. G.; Nguyen, T. D.

    2017-11-01

    A new experimental-theoretical approach to the toxic gases concentrations assessment in case of fire indoors is offered. The analytical formulas for calculation of CO average volume density are received. These formulas do not contain the geometrical sizes of the room and surfaces dimensions of combustible materials and, therefore, are valid under conditions of as a small-scale fire as a large-scale fire. A small-scale experimental installation for modeling fire thermal and gas dynamics in the closed or open thermodynamic system has been designed. The results of the experiments on determining dependencies of CO average volume density from average volume temperature and oxygen average volume density as well as dependencies of specific coefficients of CO emission and specific mass rates of the combustible material gasification from the time of tests during the burning of wood, transformer oil and PVC cables shield are presented. The results of numerical experiments on CO density calculation in small and large scale rooms using the proposed analytical solutions, integral, zone and field models for calculation of fire thermal and gas dynamics are presented. The comparison with the experimental data obtained by the authors and given in the literature has been performed. It is shown that CO density calculation in the full-scale room at the incipient stage of the fire can be carried out taking into account only the experimental dependences of CO from temperature or O2 density, that have been obtained from small-scale experiments. Therefore the solution of the equation of carbon monoxide mass conservation law is not necessary.

  15. Comparison of calculated and experimental values of the yields of xenon isotopes in reactions with high-energy protons

    International Nuclear Information System (INIS)

    Shukolyukov, A.Yu.; Katargin, N.V.; Baishev, I.S.

    1989-01-01

    Calculations of the cumulative yields of isotopes of Xe have been carried out on the basis of the semi-empirical formula of Silverberg and Tsao for Ba- and Dy-targets and bombarding proton energies in the range 100-1050 MeV. Results are compared with experimental data for the yields of Xe isotopes, and domains of applicability of the semi-empirical formula are determined

  16. Additive manufacturing of a functionally graded material from Ti-6Al-4V to Invar: Experimental characterization and thermodynamic calculations

    International Nuclear Information System (INIS)

    Bobbio, Lourdes D.; Otis, Richard A.; Borgonia, John Paul; Dillon, R. Peter; Shapiro, Andrew A.; Liu, Zi-Kui; Beese, Allison M.

    2017-01-01

    In functionally graded materials (FGMs), the elemental composition, or structure, within a component varies gradually as a function of position, allowing for the gradual transition from one alloy to another, and the local tailoring of properties. One method for fabricating FGMs with varying elemental composition is through layer-by-layer directed energy deposition additive manufacturing. This work combines experimental characterization and computational analysis to investigate a material graded from Ti-6Al-4V to Invar 36 (64 wt% Fe, 36 wt% Ni). The microstructure, composition, phases, and microhardness were determined as a function of position within the FGM. During the fabrication process, detrimental phases associated with the compositional blending of the Ti-6Al-4V and Invar formed, leading to cracking in the final deposited part. Intermetallic phases (FeTi, Fe_2Ti, Ni_3Ti, and NiTi_2) were experimentally identified to occur throughout the gradient region, and were considered as the reason that the FGM cracked during fabrication. CALPHAD (CALculation of PHase Diagrams) thermodynamic calculations were used concurrently to predict phases that would form during the manufacturing process and were compared to the experimental results. The experimental-computational approach described herein for characterizing FGMs can be used to improve the understanding and design of other FGMs.

  17. Kaempferol-human serum albumin interaction: Characterization of the induced chirality upon binding by experimental circular dichroism and TDDFT calculations

    Science.gov (United States)

    Matei, Iulia; Ionescu, Sorana; Hillebrand, Mihaela

    2012-10-01

    The experimental induced circular dichroism (ICD) and absorption spectra of the achiral flavonoid kaempferol upon binding to human serum albumin (HSA) were correlated to electronic CD and UV-vis spectra theoretically predicted by time-dependent density functional theory (TDDFT). The neutral and four anionic species of kaempferol in various conformations were considered in the calculations. The appearance of the experimental ICD signal was rationalized in terms of kaempferol binding to HSA in a distorted, chiral, rigid conformation. The comparison between the experimental and simulated spectra allowed for the identification of the kaempferol species that binds to HSA, namely the anion generated by deprotonation of the hydroxyl group in position 7. This approach constitutes a convenient method for evidencing the binding species and for determining its conformation in the binding pocket of the protein. Its main advantage over the UV-vis absorption method lays in the fact that only the bound ligand species gives an ICD signal.

  18. Flow aerodynamics modeling of an MHD swirl combustor - calculations and experimental verification

    International Nuclear Information System (INIS)

    Gupta, A.K.; Beer, J.M.; Louis, J.F.; Busnaina, A.A.; Lilley, D.G.

    1981-01-01

    This paper describes a computer code for calculating the flow dynamics of constant density flow in the second stage trumpet shaped nozzle section of a two stage MHD swirl combustor for application to a disk generator. The primitive pressure-velocity variable, finite difference computer code has been developed to allow the computation of inert nonreacting turbulent swirling flows in an axisymmetric MHD model swirl combustor. The method and program involve a staggered grid system for axial and radial velocities, and a line relaxation technique for efficient solution of the equations. Tue produces as output the flow field map of the non-dimensional stream function, axial and swirl velocity. 19 refs

  19. Correlation between calculated molecular descriptors of excipient amino acids and experimentally observed thermal stability of lysozyme

    DEFF Research Database (Denmark)

    Meng-Lund, Helena; Friis, Natascha; van de Weert, Marco

    2017-01-01

    for lysozyme in combination with 13 different amino acids using high throughput fluorescence spectroscopy and kinetic static light scattering measurements. On the theoretical side, around 200 2D and 3D molecular descriptors were calculated based on the amino acids' chemical structure. Multivariate data...... prominent stabilizing factor for both responses, whereas hydrophilic surface properties and high molecular mass density mostly had a positive influence on the unfolding temperature. A high partition coefficient (logP(o/w)) was identified as the most prominent destabilizing factor for both responses...

  20. Experimental validation of a deforming grid 4D dose calculation for PBS proton therapy

    Science.gov (United States)

    Krieger, Miriam; Klimpki, Grischa; Fattori, Giovanni; Hrbacek, Jan; Oxley, David; Safai, Sairos; Weber, Damien C.; Lomax, Antony J.; Zhang, Ye

    2018-03-01

    The aim of this study was to verify the temporal accuracy of the estimated dose distribution by a 4D dose calculation (4DDC) in comparison to measurements. A single-field plan (0.6 Gy), optimised for a liver patient case (CTV volume: 403cc), was delivered to a homogeneous PMMA phantom and measured by a high resolution scintillating-CCD system at two water equivalent depths. Various motion scenarios (no motion and motions with amplitude of 10 mm and two periods: 3.7 s and 4.4 s) were simulated using a 4D Quasar phantom and logged by an optical tracking system in real-time. Three motion mitigation approaches (single delivery, 6× layered and volumetric rescanning) were applied, resulting in 10 individual measurements. 4D dose distributions were retrospectively calculated in water by taking into account the delivery log files (retrospective) containing information on the actually delivered spot positions, fluences, and time stamps. Moreover, in order to evaluate the sensitivity of the 4DDC inputs, the corresponding prospective 4DDCs were performed as a comparison, using the estimated time stamps of the spot delivery and repeated periodical motion patterns. 2D gamma analyses and dose-difference-histograms were used to quantify the agreement between measurements and calculations for all pixels with > 5% of the maximum calculated dose. The results show that a mean gamma score of 99.2% with standard deviation 1.0% can be achieved for 3%/3 mm criteria and all scenarios can reach a score of more than 95%. The average area with more than 5% dose difference was 6.2%. Deviations due to input uncertainties were obvious for single scan deliveries but could be smeared out once rescanning was applied. Thus, the deforming grid 4DDC has been demonstrated to be able to predict the complex patterns of 4D dose distributions for PBS proton therapy with high dosimetric and geometric accuracy, and it can be used as a valid clinical tool for 4D treatment planning, motion mitigation

  1. Experimental study and calculations of the near critical behavior of a synthetic fluid in nitrogen injection

    International Nuclear Information System (INIS)

    Coronado Parra, Carlos Alberto; Escobar Remolina, Juan Carlos M

    2005-01-01

    In recent years, the use of nitrogen has increased as gas injection to recover oil fluids near the critical point. The behavior of hydrocarbon mixture phases in the critical region shows very interesting complex phenomena when facing a recovery project with nitrogen. Therefore, it is important to have experimental information of the PVTx thermodynamic variable, often scarce, for this type of critical phenomena. This paper reports the experimental measures of the volumetric behavior and phases of synthetic fluid in a nitrogen injection process. The experiment was performed at laboratory scale, and it obtained variations on the saturation pressure, gas oil ratio, density and composition of the hydrocarbon phase when nitrogen was injected at molars of 10,20,30 and 40% on different volumetric portions of the mother sample. In addition, the data obtained experimentally was used to demonstrate the capacity of tune to compositional models. The data provided represents a valuable contribution to the understanding of phenomena associated with retrograde and near critical regions, as well as their use in tuning and developing more elaborate models such as Cubic Equations of State (EOS). It is worth highlighting the importance of this data in the potential processes of nitrogen, CO 2 , and lean gas injection, which require knowledge of the gas-oil ratio, saturation pressures, density and composition of the fluid in current production. The identification of the phenomena shown, represent a potential application to the modeling of displacements and maintaining the pressure in the improved recovery when scaling up the laboratory data to the field / reservoir conditions

  2. Experimental verification and analytical calculation of unbalanced magnetic force in permanent magnet machines

    Directory of Open Access Journals (Sweden)

    Kyung-Hun Shin

    2017-05-01

    Full Text Available In this study, an exact analytical solution based on Fourier analysis is proposed to compute the unbalanced magnetic force in a permanent magnet machine. The magnetic field solutions are obtained by using a magnetic vector potential and by selecting the appropriate boundary conditions. Based on these field solutions, the force characteristics are also determined analytically. All analytical results were extensively validated with nonlinear two-dimensional finite element analysis and experimental results. Using proposed method, we investigated the influence on the UMF according to machine parameters. Therefore, the proposed method should be very useful in initial design and optimization process of PM machines for UMF analysis.

  3. Nutrient Budgets Calculated in Floodwaters Using a Whole-Ecosystem Experimental Manipulation

    Science.gov (United States)

    Talbot, C. J.; Paterson, M. J.; Xenopoulos, M. A.

    2017-12-01

    Flooding provides pathways for nutrients to move into surface waters and alter nutrient concentrations, therefore influencing downstream ecosystems and increasing events of eutrophication. Nutrient enrichment will likely affect water quality, primary production, and overall ecosystem function. Quantifying nutrient movement post-flood will help evaluate the risks or advantages that flooding will have on ecosystem processes. Here we constructed nutrient budgets using data collected as part of the Flooded Upland Dynamics Experiment (FLUDEX) at the Experimental Lakes Area (ELA) in northwestern Ontario. Three experimental reservoirs with varying amounts of stored carbon were created by flooding forested land from May through September annually from 1999 to 2003. Organic matter became a significant source of nutrients under flooded conditions and elevated reservoir total nitrogen (TN) and total phosphorus (TP) concentrations within one week of flooding. The highest TN (2.6 mg L-1) and TP (579 µg L-1) concentrations throughout the entire flooding experiment occurred in the medium carbon reservoir within the first two weeks of flooding in 1999. TN and TP fluxes were positive in all years of flooding. TP fluxes decreased after each flooding season therefore, TP production may be less problematic in floodplains subject to frequent repeated flooding. However, TN fluxes remained large even after repeated flooding. Therefore, flooding, whether naturally occurring or from anthropogenic flow alteration, may be responsible for producing significant amounts of nitrogen and phosphorus in aquatic ecosystems.

  4. The Coordination of calculation and experimental procedures in the determination of high-negative reactivities

    International Nuclear Information System (INIS)

    Pinegin, A.A.; Tsyganov, S.V.

    1999-01-01

    Usually three sources of information about the value of inserted negative reactivity (ρ) are used: dynamical experiment with reactimeters, solution of conventionally critical problems, and dynamical calculation of the process of reactivity insertion with the reactimer model. Each of them gives they own estimation of ρ. The discrepancy between these estimation could be significant, particularly noticeable in dissymmetric insertion of perturbation. The paper discusses origin of problems of estimation high negative reactivity with reactivity meter. Authors believe that correct method of high negative reactivity estimation have to include three dimensional dynamic core model for taking to account spatial effect. Moreover, some special process, such a removal of delayed neutron emitters, change in the fraction of delayed neutrons, inner source etc. (Authors)

  5. The coordination of calculation and experimental procedures in the determination of high-negative reactivities

    International Nuclear Information System (INIS)

    Pinegin, A.A.; Tsyganov, S.V.

    1999-01-01

    Usually three sources of information about the value of inserted negative reactivity (ρ) are used: dynamical experiment with reactimeters, solution of conventionally critical problems, and dynamical calculation of the process of reactivity insertion with the reactimeter model. Each of them gives they own estimation of ρ. The discrepancy between these estimations could be significant, particularly noticeable in dissymmetric insertion of perturbation. Origin of problems of estimation high negative reactivity is discussed using the reactivity meter. A correct method of high negative reactivity estimation have to include three dimensional dinamic core model for taking to account spatial effect. Moreover, some special processes, such as removal of delayed neutron emitters, change in the fraction of delayed neutrons, inner sources are considered etc. (author)

  6. Service factor calculated from an experimental simulation of chronic occupational irradiation

    International Nuclear Information System (INIS)

    Berikashvili, V.Sh.

    1975-01-01

    A correlation has been studied between the body weight, basal metabolism, lifespan, the period of water exchange, average life of erythrocytes and average rate of pulse-beat, and values LDsub(50/30-60), half-recovery period after irradiation and time of leucopenia occurrence in different species of laboratory animals and man. An authentic degree-interrelation of these indices has been revealed, and the dependency of radiobiological effects on the body weight of animals has been estimated. Similarity conditions of dose accumulation upon chronic irradiation of animals and man have been obtained on the basis of Blair's and Davidson's equations for an effective dose of a single exposure. Service factor and coefficients of intensity and duration of irradiation of various animals have been calculated, simulating professional irradiation with 5 rad/a within 20 years

  7. Nano-sized graphene flakes: insights from experimental synthesis and first principles calculations.

    Science.gov (United States)

    Lin, Pin-Chun; Chen, Yi-Rui; Hsu, Kuei-Ting; Lin, Tzu-Neng; Tung, Kuo-Lun; Shen, Ji-Lin; Liu, Wei-Ren

    2017-03-01

    In this study, we proposed a cost-effective method for preparing graphene nano-flakes (GNFs) derived from carbon nanotubes (CNTs) via three steps (pressing, homogenization and sonication exfoliation processes). Scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), laser scattering, as well as ultraviolet-visible and photoluminescence (PL) measurements were carried out. The results indicated that the size of as-synthesized GNFs was approximately 40-50 nm. Furthermore, we also used first principles calculations to understand the transformation from CNTs to GNFs from the viewpoints of the edge formation energies of GNFs in different shapes and sizes. The corresponding photoluminescence measurements of GNFs were carried out in this work.

  8. Experimental and calculated rf properties of the disk-and-washer structure

    International Nuclear Information System (INIS)

    Potter, J.M.; Schriber, S.O.; Humphry, F.J.

    1979-01-01

    A detailed study of the disk-and-washer structure using SUPERFISH has shown that the physical geometry can be optimized to make the structure more efficient than previously reported. The calculated ZT 2 is equal to that of an equivalent LAMPF cavity (neglecting any losses associated with the side-coupler slots) for β = 0.6 and is 30% higher for β = 1.0. Several techniques for supporting the washer were studied in addition to the conventional ''L'' supports. Two types of supports, the ''TO'' that supports two washers from every other disk with a T, and radial supports in the washer plane, improve left-right symmetry and reduce the tuning effort required to achieve a satisfactory field distribution. Effects of these supports on tuning procedures are discussed

  9. Calculation and experimental study of the RBMK-1500 reactor emergency cooling at maximum designed accident

    International Nuclear Information System (INIS)

    Cherkashov, Yu.M.; Vasilevskij, V.P.; Labazov, V.H.; Loninov, A.Ya.; Molochnikov, Yu.S.; Novosel'skij, O.Yu.; Podlazov, L.N.; Pavlov, V.B.; Pushkarev, V.I.

    1981-01-01

    The analysis of thermohydraulic and neutron-physical processes occurring in the RBMK-1500 reactor during the reactor emergency cooling system triggering (RECS) after the maximum designed accident (MDA) is conducted. The MDA means hypothetical instant hilliotine break of the main circulating pump head collector. During the whole cooling down period the RECS should provide the temperature level of the fuel elements not exceeding 1200 deg C and the channel pipe temperature - 600 deg C. The principal flowsheet of the balloon type RECS is described. Calculations of the valve fast response effect on the RECS productivity are carried out. It is concluded that the chosen balloon RECS provides reliable temperature modes of fuel elements naand channel pipes under the MDA conditions. At the same time a momentary splash of neutron power by the value not more than 10% can take place [ru

  10. Understanding the behaviour of the actinides under disposal conditions: A comparison between calculated and experimental solubilities

    International Nuclear Information System (INIS)

    Pryke, D.C.; Rees, J.H.

    1986-01-01

    The solubilities of plutonium, americium and neptunium measured in simulated near-field waters have compared with those predicted using the simple thermodynamic model NearSol. The dependence of solubility on pH and redox potential is examined in an effort to understand the behaviour of actinides in disposal. The agreement was variable. Differences could be appreciable, in particular for neptunium under oxidizing conditions; conversly, the model successfully predicted the behaviour of neptunium under reducing conditions. Such comparisons pinpointed deficiences in the thermodynamic data base and showed the sensitivity of solubilities to certain experimental parameters such as Eh and the concentration of carbonate ions. A comparison between NearSol and the reaction pathway program PHREEQE gave generally good agreement. NearSol was quicker and easier to use, requiring only limited preselection of participating species; however it did not account for the behaviour of bulk inactive species in solution; like feature will be built into an updated version. (orig.)

  11. Experimental and calculating substantiation of reactivity balance and energy-release distribution in BN-600 core

    International Nuclear Information System (INIS)

    Moiseev, A.V.; Khomyakov, Yu.S.; Surov, S.V.

    2013-01-01

    This paper presents the results of experimental and theoretical work done in 2003-2010 years on substantiation of neutron-physical characteristics of the BN-600 core. 1. Transition to the new core 01M2 with high burnup 11.2% h.a. (the 4-th upgrade of the BN-600 core). Transfer was made without changing the constructive of the core almost by reducing conservatism of design decisions. 2. The end of BN-600 design life cycle and extending it to 10-15 years. Need for analysis and comprehension of the BN-600 experience. 3. Development and introduction of new methods of analysis (precision method of Monte Carlo). 4. In the experiments was a change of equipment and measurement techniques

  12. Experimental study and nuclear model calculations of {sup 3}He-induced nuclear reactions on zinc

    Energy Technology Data Exchange (ETDEWEB)

    Al-Abyad, M.; Mohamed, Gehan Y. [Nuclear Research Centre, Atomic Energy Authority, Physics Department (Cyclotron Facility), Cairo (Egypt); Ditroi, F.; Takacs, S.; Tarkanyi, F. [Hungarian Academy of Sciences (ATOMKI), Institute for Nuclear Research, Debrecen (Hungary)

    2017-05-15

    Excitation functions of {sup 3}He-induced nuclear reactions on natural zinc were measured using the standard stacked-foil technique and high-resolution gamma-ray spectrometry. From their threshold energies up to 27 MeV, the cross-sections for {sup nat}Zn ({sup 3}He,xn) {sup 69}Ge, {sup nat}Zn({sup 3}He,xnp) {sup 66,67,68}Ga, and {sup nat}Zn({sup 3}He,x){sup 62,65}Zn reactions were measured. The nuclear model codes TALYS-1.6, EMPIRE-3.2 and ALICE-IPPE were used to describe the formation of these products. The present data were compared with the theoretical results and with the available experimental data. Integral yields for some important radioisotopes were determined. (orig.)

  13. Calculation and experimental verification of the RBE-weighted dose for scanned ion beams in the presence of target motion

    International Nuclear Information System (INIS)

    Gemmel, A; Rietzel, E; Kraft, G; Durante, M; Bert, C

    2011-01-01

    We present an algorithm suitable for the calculation of the RBE-weighted dose for moving targets with a scanned particle beam. For verification of the algorithm, we conducted a series of cell survival measurements that were compared to the calculations. Calculation of the relative biological effectiveness (RBE) with respect to tumor motion was included in the treatment planning procedure, in order to fully assess its impact on treatment delivery with a scanned ion beam. We implemented an algorithm into our treatment planning software TRiP4D which allows determination of the RBE including its dependence on target tissue, absorbed dose, energy and particle spectra in the presence of organ motion. The calculations are based on time resolved computed tomography (4D-CT) and the corresponding deformation maps. The principal of the algorithm is illustrated in in silico simulations that provide a detailed view of the different compositions of the energy and particle spectra at different target positions and their consequence on the resulting RBE. The calculations were experimentally verified with several cell survival measurements using a dynamic phantom and a scanned carbon ion beam. The basic functionality of the new dose calculation algorithm has been successfully tested in in silico simulations. The algorithm has been verified by comparing its predictions to cell survival measurements. Four experiments showed in total a mean difference (standard deviation) of −1.7% (6.3%) relative to the target dose of 9 Gy (RBE). The treatment planning software TRiP is now capable to calculate the patient relevant RBE-weighted dose in the presence of target motion and was verified against cell survival measurements.

  14. Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies.

    Science.gov (United States)

    Ahmed, Arif; Lim, Dongwon; Choi, Cheol Ho; Kim, Sunghwan

    2017-06-30

    The theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive-mode (+) atmospheric-pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study. A parameter is devised by combining experimental MS data and high-level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange-correlation functions with the standard 6-311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations. All the molecules with ΔH toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI. The data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  15. Analysis of the Pecore experimental programme carried out on Masurca and neutronics calculations for the PEC reactor

    International Nuclear Information System (INIS)

    Artioli, C.; Cignani, B.; Dominici, G.; Frattini, F.; Tavoni, R.

    1980-01-01

    A number of critical configurations installed in the Masurca experimental reactor of the French Commissariat a l'energie atomique (CEA) in Cadarache were used to simulate, by means of certain approximations, the neutron properties of the core of the PEC reactor. As the amount of plutonium available was insufficient, the Pecore experiment was carried out by using two different fuel zones: one with mixed U and Pu oxide, the other with enriched U oxide. However, an effort was made to keep the two zones similar as far as the neutron energy spectrum was concerned. The first interpretation of Pecore was carried out by the CEA with the assistance of staff of the Italian National Nuclear Energy Committee (CNEN), on the basis of French nuclear data and calculation methods. The paper describes the interpretation made in Italy on the basis of the codes and cross-sections used for the PEC neutron calculations, so that use could be made in this project of the discrepancies between calculation and experiment evaluated for Pecore. The characteristics compared were: critical mass, negative reactivity introduced by the control rods, ratios of reaction rates, efficiency of the nickel-base reflector and the axial and radial power curves. By way of a general conclusion, it can be stated that the interpretations of the CEA and the CNEN are in good agreement; the differences which they show are nearly always within the margin of experimental error. In addition to the main results of the Pecore experiment, the paper deals with certain aspects of: the PEC neutron calculation, from the definition of fuel enrichment to the calculation of the power level reached in each element, and from the updating of reactivity coefficients to the formulation of refuelling strategy. For some sectors, the results of the Pecore experiment had to be taken into account. (author)

  16. Modelling of large sodium fires: A coupled experimental and calculational approach

    International Nuclear Information System (INIS)

    Astegiano, J.C.; Balard, F.; Cartier, L.; De Pascale, C.; Forestier, A.; Merigot, C.; Roubin, P.; Tenchine, D.; Bakouta, N.

    1996-01-01

    The consequences of large sodium leaks in secondary circuit of Super-Phenix have been studied mainly with the FEUMIX code, on the basis of sodium fire experiments. This paper presents the status of the coupled AIRBUS (water experiment) FEUMIX approach under development in order to strengthen the extrapolation made for the Super-Phenix secondary circuits calculations for large leakage flow. FEUMIX code is a point code based on the concept of a global interfacial area between sodium and air. Mass and heat transfers through this global area is supposed to be similar. Then, global interfacial transfer coefficient Sih is an important parameter of the model. Correlations for the interfacial area are extracted from a large number of sodium tests. For the studies of hypothetical large sodium leak in secondary circuit of Super-Phenix, flow rates of more than 1 t/s have been considered and extrapolation was made from the existing results (maximum flow rate 225 kg/s). In order to strengthen the extrapolation, water test has been contemplated, on the basis of a thermal hydraulic similarity. The principle is to measure the interfacial area of a hot water jet in air, then to transpose the Sih to sodium without combustion, and to use this value in FEUMIX with combustion modelling. AIRBUS test section is a parallelepipedic gastight tank, 106 m 3 (5.7 x 3.7 x 5) internally insulated. Water jet is injected from heated external auxiliary tank into the cell using pressurized air tank and specific valve. The main measurements performed during each test are injected flow rate air pressure water temperature gas temperature A first series of tests were performed in order to qualify the methodology: typical FCA and IGNA sodium fire tests were represented in AIRBUS, and a comparison of the FEUMIX calculation using Sih value deduced from water experiments show satisfactory agreement. A second series of test for large flow rate, corresponding to large sodium leak in secondary circuit of Super

  17. Actinide-lanthanide separation by bipyridyl-based ligands. DFT calculations and experimental results

    International Nuclear Information System (INIS)

    Borisova, Nataliya E.; Eroshkina, Elizaveta A.; Korotkov, Leonid A.; Ustynyuk, Yuri A.; Alyapyshev, Mikhail Yu.; Eliseev, Ivan I.; Babain, Vasily A.

    2011-01-01

    In order to gain insights into effect of substituents on selectivity of Am/Eu separation, the synthesis and extractions tests were undertaken on the series of bipyridyl-based ligands (amides of 2,2'-bipyridyl-6,6'-dicarboxylic acid: L Ph - N,N'-diethyl-N,N'-diphenyl amide; L Bu2 - tetrabutyl amide; L Oct2 - tetraoctyl amide; L 3FPh - N,N'-diethyl-N,N'-bis-(3-fluorophenyl) amide; as well as N,N'-diethyl-N,N'-diphenyl amide of 4,4'-dibrom-2,2'-bipyridyl-6,6'-dicarboxylic acid and N,N'-diethyl-N,N'-diphenyl amide of 4,4'-dinitro-2,2'-bipyridyl-6,6'-dicarboxylic acid) as well as structure and stability of their complexes with lanthanides and actinides were studied. The extraction tests were performed for Am, lanthanide series and transition metals in polar diluents in presence of chlorinated cobalt dicarbolide and have shown high distribution coefficients for Am. Also was found that the type of substituents on amidic nitrogen exerts great influence on the extraction of light lanthanides. For understanding of the nature of this effect we made QC-calculations at DFT level, binding constants determination and X-Ray structure determination of the complexes. The UV/VIS titration performed show that the composition of all complexes of the amides with lanthanides in solution is 1:1. In spite of the binding constants are high (lgβ about 6-7 in acetonitrile solution), lanthanide ions have binding constants with the same order of magnitude for dialkyl substituted extractants. The X-Ray structures of the complexes of bipyridyl-based amides show the composition of 1:1 and the coordination number of the ions being 10. The DFT optimized structures of the compounds are in good agreement with that obtained by X-Ray. The gas phase affinity of the amides to lanthanides shows strong correlation with the distribution ratios. We can infer that the bipyridyl-based amides form complexes with metal nitrates which have similar structure in solid and gas phases and in solution, and the DFT

  18. Experimental validation of calculated capture rate for nucleus involved in fuel cycle; Validation experimentale du calcul du taux de capture des noyaux intervenant dans le cycle du combustible

    Energy Technology Data Exchange (ETDEWEB)

    Benslimane-Bouland, A

    1997-09-01

    The framework of this study was the evaluation of the nuclear data requirements for Actinides and Fission Products applied to current nuclear reactors as well as future applications. This last item includes extended irradiation campaigns, 100 % Mixed Oxide fuel, transmutation or even incineration. The first part of this study presents different types of integral measurements which are available for capture rate measurements, as well as the methods used for reactor core calculation route design and nuclear data library validation. The second section concerns the analysis of three specific irradiation experiments. The results have shown the extent of the current knowledge on nuclear data as well as the associated uncertainties. The third and last section shows both the coherency between all the results, and the statistical method applied for nuclear data library adjustment. A relevant application of this method has demonstrated that only specifically chosen integral experiments can be of use for the validation of nuclear data libraries. The conclusion is reached that even if co-ordinated efforts between reactor and nuclear physicists have made possible a huge improvement in the knowledge of capture cross sections of the main nuclei such as uranium and plutonium, some improvements are currently necessary for the minor actinides (Np, Am and Cm). Both integral and differential measurements are recommended to improve the knowledge of minor actinide cross sections. As far as integral experiments are concerned, a set of criteria to be followed during the experimental conception have been defined in order to both reduce the number of required calculation approximations, and to increase as much as possible the maximum amount of extracted information. (author)

  19. Experimental verification of internal dosimetry calculations: Construction of a heterogeneous phantom based on human organs

    International Nuclear Information System (INIS)

    Lauridsen, B.; Hedemann Jensen, P.

    1987-01-01

    The basic dosimetric quantity in ICRP-publication no. 30 is the aborbed fraction AF(T<-S). This parameter is the fraction of energy absorbed in a target organ T per emission of radiation from activity deposited in the source organ S. Based upon this fraction it is possible to calculate the Specific Effective Energy SEE(T<-S). From this, the committed effective dose equivalent from an intake of radioactive material can be found, and thus the annual limit of intake for given radionuclides can be determined. A male phantom has been constructed with the aim of measuring the Specific Effective Energy SEE(T<-S) in various target organs. Impressions-of real human organs have been used to produce vacuum forms. Tissue equivalent plastic sheets were sucked into the vacuum forms producing a shell with a shape identical to the original organ. Each organ has been made of two shells. The same procedure has been used for the body. Thin tubes through the organs make it possible to place TL dose meters in a matrix so the dose distribution can be measured. The phantom has been supplied with lungs, liver, kidneys, spleen, stomach, bladder, pancreas, and thyroid gland. To select a suitable body liquid for the phantom, laboratory experiments have been made with different liquids and different radionuclides. In these experiments the change in dose rate due to changes in density and composition of the liquid was determined. Preliminary results of the experiments are presented. (orig.)

  20. Experimental and ab initio DFT calculated Raman Spectrum of Sudan I, a Red Dye

    DEFF Research Database (Denmark)

    Kunov-Kruse, Andreas Jonas; Kristensen, Steffen Buus; Liu, Chuan

    2011-01-01

    The red dye Sudan I was investigated by Raman spectroscopy using different excitation wavelengths (1064, 532 and 244 nm). A calculation of the Raman spectrum based on quantum mechanical ab initio density functional theory (DFT) was made using the RB3LYP method with the 3-21G and 6-311+G(d,p) basis...... of the Sudan I molecule was involved in the majority of the vibrations through N N and C–N stretching and various bending modes. Low-intensity bands in the lower wavenumber range (at about 721, 616, 463 and 218 cm−1) were selectively enhanced by the resonance Raman effect when using the 532 nm excitation line....... Comparison was made with other azo dyes in the literature on natural, abundant plant pigments. The results show that there is a possibility in foodstuff analysis to distinguish Sudan I from other dyes by using Raman spectroscopy with more than one laser wavelength for resonance enhancement of the different...

  1. Quantum chemistry calculation and experimental study on coal ash fusion characteristics of coal blend

    Energy Technology Data Exchange (ETDEWEB)

    Chen Yushuang; Zhang Zhong-xiao; Wu Xiao-jiang; Li Jie; Guang Rong-qing; Yan Bo [University of Shanghai for Science and Technology, Shanghai (China). Department of Power Engineering

    2009-07-01

    The coal ash fusion characteristics of high fusibility coal blending with two low fusibility coals respectively were studied. The data were analyzed using quantum chemistry methods and experiment from micro-and macro-molecular structures. The results show that Ca{sup 2+}, as the electron acceptor, easily enters into the lattice of mullite, causing a transition from mullite to anorthite. Mullite is much more stable than anorthite. Ca{sup 2+} of anorthite occupies the larger cavities with the (SiO{sub 4}){sup 4-} tetrahedral or (AlO{sub 4}){sup 5-} tetrahedral rings respectively. Ca atom linked O weakens Si-O bond, leading ash fusion point to reduce effectively. The chemistry, reactivity sites and bond-formation characteristics of minerals can well explain the reaction mechanism refractory minerals and flux ash melting process at high temperature. The results of experiment are agreed with the theory analysis by using ternary phase diagrams and quantitative calculation. 27 refs., 9 figs., 3 tabs.

  2. Electron sputtering in the analytical electron microscope: Calculations and experimental data

    International Nuclear Information System (INIS)

    Zaluzec, N.J.; Mansfield, J.F.

    1987-03-01

    The environment of the electron microscope is particularly severe when one considers the energy deposited in a specimen during typical experimental conditions. Conventional imaging experiments tend to employ electron current densities ranging from ∼0.1 to 1 A/cm 2 while during microanalysis conditions probe current densities can range from 10 to values as high as 10 5 A/cm 2 . At 100 kV this corresponds to power densities from 100 Kilowatts/cm 2 to 10 4 Megawatts/cm 2 . These energy deposition rates can result in electron irradiation damage which can substantially alter the structure and composition of a specimen through either ionization damage in organics or by displacement damage in inorganics and/or combinations thereof. For the most part materials scientists operating an analytical electron microscope (AEM) in the 100 to 200 kV regime studying metallic and/or ceramic specimens have been spared the need to consider either of these effects as their specimens have tended to be sufficiently resilient. However, the advent of the new medium voltage microscopes operating in the 300 to 400 kV regime with high brightness guns and clean or ultrahigh vacuum systems has necessitated a reevaluation of the effects of higher voltage operation in light of the destructive nature of the electron beam particularly under microanalysis conditions

  3. Experimental investigation and thermodynamic calculation of the Zn–Fe–Ce system

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Longfei; Wu, Changjun [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China); Wang, Jianhua, E-mail: wangjh@cczu.edu.cn [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China); Liu, Ya; Tu, Hao; Su, Xuping [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, Jiangsu 213164 (China); Jiangsu Collaborative Innovation Center of Photovolatic Science and Engineering, Changzhou University, Jiangsu 213164 (China)

    2015-11-05

    The 450 °C and 600 °C isothermal sections of the Zn–Fe–Ce system were investigated using equilibrated alloys and diffusion couples. The samples were analyzed by Scanning Electron Microscopy equipped with Energy Dispersive X-ray Spectrometer analysis and X-ray power diffraction. 15 and 13 three-phase regions were identified to exist at 450 °C and 600 °C, respectively. No ternary compound was found. Ce can not dissolve into all the Zn–Fe binary compounds and the solubilities of Fe in all the Zn–Ce binary phases were limited. All the Zn–Fe compounds can equilibrate with CeZn{sub 11} and all the Ce–Zn compounds (except CeZn) can equilibrate with α-Fe. Furthermore, thermodynamic extrapolation of the Zn–Fe–Ce system was carried out and showed good agreement well with detected phase relationships. - Highlights: • 450 °C and 600 °C sections of the Zn–Fe–Ce system were constructed. • No ternary compound exists. • Ce can not dissolve into all the Zn–Fe compounds. • All the Fe–Zn compounds can equilibrate with CeZn{sub 11}. • Thermodynamic extrapolation results agree with experimental data.

  4. Experimental evidence of six-fold oxygen coordination for phosphorus and XANES calculations

    Energy Technology Data Exchange (ETDEWEB)

    Flank, A-M; Trcera, N; Itie, J-P; Lagarde, P [Synchrotron Soleil, L' Orme des Merisiers, BP 48, 91192 Gif sur Yvette (France); Brunet, F [Laboratoire de Geologie, CNRS-ENS-UMR8538, 24 rue Lhommond, 75005 Paris (France); Irifune, T [Geodynamics Research Center, Ehime University, Matsuyama 790-8577 (Japan)

    2009-11-15

    Phosphorus, a group V element, has always been found so far in minerals, biological systems and synthetic compounds with an oxygen coordination number of four (i.e, PO{sub 4} groups). We demonstrate here using phosphorus K-edge XANES spectroscopy that this element can also adopt a six-fold oxygen coordination (i.e, PO{sub 6} groups). This new coordination was achieved in AlPO{sub 4} doped SiO{sub 2} stishovite synthesized at 18 GPa and 1873 K and quenched down to ambient conditions. The well-crystallized P-bearing stishovite grains (up to 100{mu}m diameter) were embedded in the back-transformation products of high pressure form of AlPO{sub 4} matrix. They were identified by elemental mapping ({mu}-XRF). {mu}-XANES spectra collected at the Si and P K edges in the Si rich region with a very low concentration of P present striking resemblance, Si itself being characteristic of pure stishovite. We can therefore infer that phosphorus in the corresponding stishovite crystal is involved in an octahedral coordination made of six oxygen atoms. First principle XANES calculations using a plane-wave density functional formalism with core-hole effects treated in a supercell approach at the P K edge for a P atom substituting an Si one in the stishovite structure confirm this assertion. This result shows that in the lower-mantle where all silicon is six-fold coordinated, phosphorus has the crystal-chemical ability to remain incorporated into silicate structures.

  5. Experimental evidence of six-fold oxygen coordination for phosphorus and XANES calculations

    Science.gov (United States)

    Flank, A.-M.; Trcera, N.; Brunet, F.; Itié, J.-P.; Irifune, T.; Lagarde, P.

    2009-11-01

    Phosphorus, a group V element, has always been found so far in minerals, biological systems and synthetic compounds with an oxygen coordination number of four (i.e, PO4 groups). We demonstrate here using phosphorus K-edge XANES spectroscopy that this element can also adopt a six-fold oxygen coordination (i.e, PO6 groups). This new coordination was achieved in AlPO4 doped SiO2 stishovite synthesized at 18 GPa and 1873 K and quenched down to ambient conditions. The well-crystallized P-bearing stishovite grains (up to 100μm diameter) were embedded in the back-transformation products of high pressure form of AlPO4 matrix. They were identified by elemental mapping (μ-XRF). μ-XANES spectra collected at the Si and P K edges in the Si rich region with a very low concentration of P present striking resemblance, Si itself being characteristic of pure stishovite. We can therefore infer that phosphorus in the corresponding stishovite crystal is involved in an octahedral coordination made of six oxygen atoms. First principle XANES calculations using a plane-wave density functional formalism with core-hole effects treated in a supercell approach at the P K edge for a P atom substituting an Si one in the stishovite structure confirm this assertion. This result shows that in the lower-mantle where all silicon is six-fold coordinated, phosphorus has the crystal-chemical ability to remain incorporated into silicate structures.

  6. Experimental evidence of six-fold oxygen coordination for phosphorus and XANES calculations

    International Nuclear Information System (INIS)

    Flank, A-M; Trcera, N; Itie, J-P; Lagarde, P; Brunet, F; Irifune, T

    2009-01-01

    Phosphorus, a group V element, has always been found so far in minerals, biological systems and synthetic compounds with an oxygen coordination number of four (i.e, PO 4 groups). We demonstrate here using phosphorus K-edge XANES spectroscopy that this element can also adopt a six-fold oxygen coordination (i.e, PO 6 groups). This new coordination was achieved in AlPO 4 doped SiO 2 stishovite synthesized at 18 GPa and 1873 K and quenched down to ambient conditions. The well-crystallized P-bearing stishovite grains (up to 100μm diameter) were embedded in the back-transformation products of high pressure form of AlPO 4 matrix. They were identified by elemental mapping (μ-XRF). μ-XANES spectra collected at the Si and P K edges in the Si rich region with a very low concentration of P present striking resemblance, Si itself being characteristic of pure stishovite. We can therefore infer that phosphorus in the corresponding stishovite crystal is involved in an octahedral coordination made of six oxygen atoms. First principle XANES calculations using a plane-wave density functional formalism with core-hole effects treated in a supercell approach at the P K edge for a P atom substituting an Si one in the stishovite structure confirm this assertion. This result shows that in the lower-mantle where all silicon is six-fold coordinated, phosphorus has the crystal-chemical ability to remain incorporated into silicate structures.

  7. Experimental design of membrane sensor for selective determination of phenazopyridine hydrochloride based on computational calculations

    International Nuclear Information System (INIS)

    Attia, Khalid A.M.; El-Abasawi, Nasr M.; Abdel-Azim, Ahmed H.

    2016-01-01

    Computational study has been done electronically and geometrically to select the most suitable ionophore to design a novel sensitive and selective electrochemical sensor for phenazopyridine hydrochloride (PAP). This study has revealed that sodium tetraphenylbarate (NaTPB) fits better with PAP than potassium tetrakis (KTClPB). The sensor design is based on the ion pair of PAP with NaTPB using dioctyl phthalate as a plasticizer. Under optimum conditions, the proposed sensor shows the slope of 59.5 mV per concentration decade in the concentration range of 1.0 × 10 −2 –1.0 × 10 −5 M with detection limit 8.5 × 10 −6 M. The sensor exhibits a very good selectivity for PAP with respect to a large number of interfering species as inorganic cations and sugars. The sensor enables track of determining PAP in the presence of its oxidative degradation product 2, 3, 6-Triaminopyridine, which is also its toxic metabolite. The proposed sensor has been successfully applied for the selective determination of PAP in pharmaceutical formulation. Also, the obtained results have been statistically compared to a reported electrochemical method indicating no significant difference between the investigated method and the reported one with respect to accuracy and precision. - Highlights: • Novel use of ISE for selective determination of phenazopyridine hydrochloride. • Investigating the degradation pathway of phenazopyridine with enough confirmation scan. • To avoid time-consuming and experimental trials, computational studies have been applied. • The proposed sensor shows high selectivity, reasonable detection limit and fast response.

  8. Experimental design of membrane sensor for selective determination of phenazopyridine hydrochloride based on computational calculations

    Energy Technology Data Exchange (ETDEWEB)

    Attia, Khalid A.M.; El-Abasawi, Nasr M.; Abdel-Azim, Ahmed H., E-mail: Ahmed.hussienabdelazim@hotmil.com

    2016-04-01

    Computational study has been done electronically and geometrically to select the most suitable ionophore to design a novel sensitive and selective electrochemical sensor for phenazopyridine hydrochloride (PAP). This study has revealed that sodium tetraphenylbarate (NaTPB) fits better with PAP than potassium tetrakis (KTClPB). The sensor design is based on the ion pair of PAP with NaTPB using dioctyl phthalate as a plasticizer. Under optimum conditions, the proposed sensor shows the slope of 59.5 mV per concentration decade in the concentration range of 1.0 × 10{sup −2}–1.0 × 10{sup −5} M with detection limit 8.5 × 10{sup −6} M. The sensor exhibits a very good selectivity for PAP with respect to a large number of interfering species as inorganic cations and sugars. The sensor enables track of determining PAP in the presence of its oxidative degradation product 2, 3, 6-Triaminopyridine, which is also its toxic metabolite. The proposed sensor has been successfully applied for the selective determination of PAP in pharmaceutical formulation. Also, the obtained results have been statistically compared to a reported electrochemical method indicating no significant difference between the investigated method and the reported one with respect to accuracy and precision. - Highlights: • Novel use of ISE for selective determination of phenazopyridine hydrochloride. • Investigating the degradation pathway of phenazopyridine with enough confirmation scan. • To avoid time-consuming and experimental trials, computational studies have been applied. • The proposed sensor shows high selectivity, reasonable detection limit and fast response.

  9. Calculation of the Scattered Radiation Profile in 64 Slice CT Scanners Using Experimental Measurement

    Directory of Open Access Journals (Sweden)

    Afshin Akbarzadeh

    2009-06-01

    Full Text Available Introduction: One of the most important parameters in x-ray CT imaging is the noise induced by detected scattered radiation. The detected scattered radiation is completely dependent on the scanner geometry as well as size, shape and material of the scanned object. The magnitude and spatial distribution of the scattered radiation in x-ray CT should be quantified for development of robust scatter correction techniques. Empirical methods based on blocking the primary photons in a small region are not able to extract scatter in all elements of the detector array while the scatter profile is required for a scatter correction procedure. In this study, we measured scatter profiles in 64 slice CT scanners using a new experimental measurement. Material and Methods: To measure the scatter profile, a lead block array was inserted under the collimator and the phantom was exposed at the isocenter. The raw data file, which contained detector array readouts, was transferred to a PC and was read using a dedicated GUI running under MatLab 7.5. The scatter profile was extracted by interpolating the shadowed area. Results: The scatter and SPR profiles were measured. Increasing the tube voltage from 80 to 140 kVp resulted in an 80% fall off in SPR for a water phantom (d=210 mm and 86% for a polypropylene phantom (d = 350 mm. Increasing the air gap to 20.9 cm caused a 30% decrease in SPR. Conclusion: In this study, we presented a novel approach for measurement of scattered radiation distribution and SPR in a CT scanner with 64-slice capability using a lead block array. The method can also be used on other multi-slice CT scanners. The proposed technique can accurately estimate scatter profiles. It is relatively straightforward, easy to use, and can be used for any related measurement.

  10. Experimental studies to validate model calculations and maximum solubility limits for Plutonium and Americium

    International Nuclear Information System (INIS)

    2017-01-01

    This report focuses on studies of KIT-INE to derive a significantly improved description of the chemical behaviour of Americium and Plutonium in saline NaCl, MgCl 2 and CaCl 2 brine systems. The studies are based on new experimental data and aim at deriving reliable Am and Pu solubility limits for the investigated systems as well as deriving comprehensive thermodynamic model descriptions. Both aspects are of high relevance in the context of potential source term estimations for Americium and Plutonium in aqueous brine systems and related scenarios. Americium and Plutonium are long-lived alpha emitting radionuclides which due to their high radiotoxicity need to be accounted for in a reliable and traceable way. The hydrolysis of trivalent actinides and the effect of highly alkaline pH conditions on the solubility of trivalent actinides in calcium chloride rich brine solutions were investigated and a thermodynamic model derived. The solubility of Plutonium in saline brine systems was studied under reducing and non-reducing conditions and is described within a new thermodynamic model. The influence of dissolved carbonate on Americium and Plutonium solubility in MgCl 2 solutions was investigated and quantitative information on Am and Pu solubility limits in these systems derived. Thermodynamic constants and model parameter derived in this work are implemented in the Thermodynamic Reference Database THEREDA owned by BfS. According to the quality assurance approach in THEREDA, is was necessary to publish parts of this work in peer-reviewed scientific journals. The publications are focused on solubility experiments, spectroscopy of aquatic and solid species and thermodynamic data. (Neck et al., Pure Appl. Chem., Vol. 81, (2009), pp. 1555-1568., Altmaier et al., Radiochimica Acta, 97, (2009), pp. 187-192., Altmaier et al., Actinide Research Quarterly, No 2., (2011), pp. 29-32.).

  11. Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data

    International Nuclear Information System (INIS)

    Mai, V. T.; Fujii, T.; Wada, K.; Kitada, T.; Takaki, N.; Yamaguchi, A.; Watanabe, H.; Unesaki, H.

    2012-01-01

    Considering the importance of thorium data and concerning about the accuracy of Th-232 cross section library, a series of experiments of thorium critical core carried out at KUCA facility of Kyoto Univ. Research Reactor Inst. have been analyzed. The core was composed of pure thorium plates and 93% enriched uranium plates, solid polyethylene moderator with hydro to U-235 ratio of 140 and Th-232 to U-235 ratio of 15.2. Calculations of the effective multiplication factor, control rod worth, reactivity worth of Th plates have been conducted by MVP code using JENDL-4.0 library [1]. At the experiment site, after achieving the critical state with 51 fuel rods inserted inside the reactor, the measurements of the reactivity worth of control rod and thorium sample are carried out. By comparing with the experimental data, the calculation overestimates the effective multiplication factor about 0.90%. Reactivity worth of the control rods evaluation using MVP is acceptable with the maximum discrepancy about the statistical error of the measured data. The calculated results agree to the measurement ones within the difference range of 3.1% for the reactivity worth of one Th plate. From this investigation, further experiments and research on Th-232 cross section library need to be conducted to provide more reliable data for thorium based fuel core design and safety calculation. (authors)

  12. Bentonite swelling pressure in strong NaCl solutions. Correlation of model calculations to experimentally determined data

    International Nuclear Information System (INIS)

    Karnland, O.

    1998-01-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed. This report discusses a number of models which possibly can be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved model predicts a substantial bentonite swelling pressure also in a saturated sodium chloride solution if the density of the system is sufficiently high. This means in practice that the buffer in a KBS-3 repository will give rise to an acceptable swelling pressure, but that the positive effects of mixing bentonite into a backfill material will be lost if the system is exposed to brines. (orig.)

  13. Bentonite swelling pressure in strong NaCl solutions. Correlation between model calculations and experimentally determined data

    Energy Technology Data Exchange (ETDEWEB)

    Karnland, O. [Clay Technology, Lund (Sweden)

    1997-12-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed by different researchers over the years. The present report examines some of the models which possibly may be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved thermodynamic model predicts substantial bentonite swelling pressures also in saturated sodium chloride solution if the density of the system is high enough. In practice, the model predicts a substantial swelling pressure for the buffer in a KBS-3 repository if the system is exposed to brines, but the positive effects of mixing bentonite into a backfill material will be lost, since the available compaction technique does not give a sufficiently high bentonite density 37 refs, 15 figs

  14. Bentonite swelling pressure in strong NaCl solutions. Correlation of model calculations to experimentally determined data

    Energy Technology Data Exchange (ETDEWEB)

    Karnland, O. [Clay Technology, Lund (Sweden)

    1998-01-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed. This report discusses a number of models which possibly can be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved model predicts a substantial bentonite swelling pressure also in a saturated sodium chloride solution if the density of the system is sufficiently high. This means in practice that the buffer in a KBS-3 repository will give rise to an acceptable swelling pressure, but that the positive effects of mixing bentonite into a backfill material will be lost if the system is exposed to brines. (orig.). 14 refs.

  15. Bentonite swelling pressure in strong NaCl solutions. Correlation between model calculations and experimentally determined data

    International Nuclear Information System (INIS)

    Karnland, O.

    1997-12-01

    A number of quite different quantitative models concerning swelling pressure in bentonite clay have been proposed by different researchers over the years. The present report examines some of the models which possibly may be used also for saline conditions. A discrepancy between calculated and measured values was noticed for all models at brine conditions. In general the models predicted a too low swelling pressure compared to what was experimentally found. An osmotic component in the clay/water system is proposed in order to improve the previous conservative use of the thermodynamic model. Calculations of this osmotic component is proposed to be made by use of the clay cation exchange capacity and Donnan equilibrium. Calculations made by this approach showed considerably better correlation to literature laboratory data, compared to calculations made by the previous conservative use of the thermodynamic model. A few verifying laboratory tests were made and are briefly described in the report. The improved thermodynamic model predicts substantial bentonite swelling pressures also in saturated sodium chloride solution if the density of the system is high enough. In practice, the model predicts a substantial swelling pressure for the buffer in a KBS-3 repository if the system is exposed to brines, but the positive effects of mixing bentonite into a backfill material will be lost, since the available compaction technique does not give a sufficiently high bentonite density

  16. A study of calculation methodology and experimental measurements of the kinetic parameters for source driven subcritical systems

    International Nuclear Information System (INIS)

    Lee, Seung Min

    2009-01-01

    This work presents a theoretical study of reactor kinetics focusing on the methodology of calculation and the experimental measurements of the so-called kinetic parameters. A comparison between the methodology based on the Dulla's formalism and the classical method is made. The objective is to exhibit the dependence of the parameters on subcriticality level and perturbation. Two different slab type systems were considered: thermal one and fast one, both with homogeneous media. One group diffusion model was used for the fast reactor, and for the thermal system, two groups diffusion model, considering, in both case, only one precursor's family. The solutions were obtained using the expansion method. Also, descriptions of the main experimental methods of measurements of the kinetic parameters are presented in order to put a question about the compatibility of these methods in subcritical region. (author)

  17. A method for development of efficient 3D models for neutronic calculations of ASTRA critical facility using experimental information

    Energy Technology Data Exchange (ETDEWEB)

    Balanin, A. L.; Boyarinov, V. F.; Glushkov, E. S.; Zimin, A. A.; Kompaniets, G. V.; Nevinitsa, V. A., E-mail: Neviniza-VA@nrcki.ru; Moroz, N. P.; Fomichenko, P. A.; Timoshinov, A. V. [National Research Center Kurchatov Institute (Russian Federation); Volkov, Yu. N. [National Research Nuclear University MEPhI (Russian Federation)

    2016-12-15

    The application of experimental information on measured axial distributions of fission reaction rates for development of 3D numerical models of the ASTRA critical facility taking into account azimuthal asymmetry of the assembly simulating a HTGR with annular core is substantiated. Owing to the presence of the bottom reflector and the absence of the top reflector, the application of 2D models based on experimentally determined buckling is impossible for calculation of critical assemblies of the ASTRA facility; therefore, an alternative approach based on the application of the extrapolated assembly height is proposed. This approach is exemplified by the numerical analysis of experiments on measurement of efficiency of control rods mockups and protection system (CPS).

  18. A method for development of efficient 3D models for neutronic calculations of ASTRA critical facility using experimental information

    International Nuclear Information System (INIS)

    Balanin, A. L.; Boyarinov, V. F.; Glushkov, E. S.; Zimin, A. A.; Kompaniets, G. V.; Nevinitsa, V. A.; Moroz, N. P.; Fomichenko, P. A.; Timoshinov, A. V.; Volkov, Yu. N.

    2016-01-01

    The application of experimental information on measured axial distributions of fission reaction rates for development of 3D numerical models of the ASTRA critical facility taking into account azimuthal asymmetry of the assembly simulating a HTGR with annular core is substantiated. Owing to the presence of the bottom reflector and the absence of the top reflector, the application of 2D models based on experimentally determined buckling is impossible for calculation of critical assemblies of the ASTRA facility; therefore, an alternative approach based on the application of the extrapolated assembly height is proposed. This approach is exemplified by the numerical analysis of experiments on measurement of efficiency of control rods mockups and protection system (CPS).

  19. Ab initio calculations and experimental measurement of the deuterium quadrupole coupling constant in Na2PDO3

    International Nuclear Information System (INIS)

    Trudeau, J.D.; Schwartz, J.L.; Farrar, T.C.

    1991-01-01

    The deuterium quadrupole coupling constant, χ D , in the PDO 3 2- anion has been measured in solution by NMR spin-lattice (T 1 ) relaxation time measurements and it has been calculated via ab initio methods. The experimental value of 94.7 ± 0.5 kHz is in excellent agreement with the ab initio value of 95.0 kHz. The activation energy for the ion reorientation is 2.23 ± 0.01 kJ mol -1

  20. Experimental investigation and thermodynamic calculation of the Fe-Mg-Mn and Fe-Mg-Ni systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Peisheng; Zhao, Jingrui; Xu, Honghui; Liu, Shuhong; Ouyang, Hongwu [Central South Univ., Hunan (China). State Key Lab. of Powder Metallurgy; Du, Yong [Central South Univ., Hunan (China). State Key Lab. of Powder Metallurgy; Harbin Institute of Technology (China). State Key Lab. of Advanced Welding Production Technology; Gang, Tie; Fen, Jicai [Harbin Institute of Technology (China). State Key Lab. of Advanced Welding Production Technology; Zhang, Lijun [Central South Univ., Hunan (China). State Key Lab. of Powder Metallurgy; Bochum Univ. (Germany). ICAMS Inst.; He, Cuiyun [Guangxi Univ. (China). College of Physical Science and Technology

    2011-01-15

    Based on the thermodynamic calculations extrapolated from the corresponding binary sub-systems, four decisive alloys in the Fe-Mg-Mn system and three in the Fe-Mg-Ni system were selected and prepared using a powder metallurgy method to measure the isothermal sections at 500 C in both systems. The prepared samples were annealed at 500 C, and then subjected to X-ray diffraction, optical microscopy, scanning electron microscopy with energy-dispersive X-ray spectrometry as well as electron probe microanalysis. Taking into account the presently obtained experimental data and the experimental data available in the literature, thermodynamic modeling was performed for the above systems. It was found that a direct extrapolation from the corresponding three binary systems can well reproduce all the experimental data in the Fe-Mg-Mn system, while two thermodynamic parameters are needed in the Fe-Mg-Ni system to fit all the experimental data. The liquidus projections and reaction schemes for the Fe-Mg-Mn and Fe-Mg-Ni systems are also presented. (orig.)

  1. Evaluation of DOE radionuclide solubility data and selected retardation parameters: description of calculational and confirmatory experimental activities

    International Nuclear Information System (INIS)

    Kelmers, A.D.; Clark, R.J.; Cutshall, N.H.; Johnson, J.S.; Kessler, J.H.

    1983-01-01

    An experimentally oriented program has been initiated to support the NRC analysis and licensing activities related to high-level nuclear waste repositories. The program will allow the NRC to independently confirm key geochemical values used in the site performance assessments submitted by the DOE candidate repository site projects. Key radionuclide retardation factor values, particularly radionuclide solubility and sorption values under site specific geochemical conditions, are being confirmed. The initial efforts are being directed toward basalt rock/groundwater systems relevant to the BWIP candidate site in the Pasco Basin. Future work will consider tuff (NNWSI candidate site in Yucca Mountain) and salt (unspecified ONWI bedded or domal salt sites) rock/groundwater systems. Initial experimental results with technetium have confirmed the BWIP values for basalt/groundwater systems under oxic redox conditions: high solubility and no sorption. Under reducing redox conditions, however, the experimental work did not confirm the proposed technetium values recommended by BWIP. In the presence of hydrazine to establish reducing conditions, an apparent solubility limit for technetium of about 5E-7 mol/L was encountered; BWIP recommended calculated values of 1E-12 or greater than or equal to 1E-14 mol/L. Experimental evidence concerning sorption of reduced technetium species is incomplete at this time. Equilibrium speciation and saturation indices were calculated for well water data sets from BWIP using the computer code PHREEQUE. Oversaturation was indicated for hematite and quartz in all data sets. Near surface samples were undersaturated with respect to calcite, but most deep samples were oversaturated with respect to calcite and other carbonate minerals

  2. Experimental investigation on predictive models for motive flow calculation through ejectors for transcritical CO2 heat pumps

    Science.gov (United States)

    Boccardi, G.; Lillo, G.; Mastrullo, R.; Mauro, A. W.; Saraceno, L.; Pieve, M.; Trinchieri, R.

    2017-11-01

    Nowadays, air conditioning systems, especially those used in residential and office buildings, contribute largely to the energy consumptions and to the direct and indirect emissions of greenhouse gases. Carbon dioxide (CO2) is an interesting option to replace traditional HFCs in vapor compression systems, due to its environmentally friendly characteristics: zero ODP and extremely low GWP. In the case of heat pumps, the use of ejection systems for the expansion phase can contribute to recovery a fraction of the mechanical energy otherwise dissipated as friction, bringing to significant benefits in terms of performance. Currently, at the laboratory DTE-PCU-SPCT of the research center ENEA (Casaccia) in cooperation with the Industrial Engineering Department of Federico II University of Naples, a project is in progress, in order to evaluate experimentally the effect of several ejectors geometries on the global performance of a CO2 heat pump working with a transcritical cycle. As a part of this project, measurements of the motive flow mass flow rate have been carried out, in transcritical CO2 conditions. The ejector sizing is a crucial point for the balancing of components and the correct operation of the CO2 heat pump and therefore the availability of reliable calculation methods for the motive flowrate would be useful. This paper presents the results obtained by a comparison between the new experimental data and the predictions of some predictive semi-empirical correlations available in the open literature for transcritical CO2 conditions. Their predictions are analyzed as a function of the main physical parameters of the process to assess their reliability compared to the experimental data. Based on these indications and of the available experimental data, a new semi-empirical correlations and a calculation method based on the hypothesis of isentropic and choked two-phase flow are presented.

  3. Experimental research of pressure drop in packed beds of monosized spheres a novel correlation for pressure drop calculation

    Directory of Open Access Journals (Sweden)

    Stamenić Mirjana S.

    2017-01-01

    Full Text Available Flow through packed beds of spheres is a complex phenomenon and it has been extensively studied. Although, there is many different correlations there is still no reliable universal equation for prediction of pressure drop. The paper presents the results of experimental research of pressure drop in packed bed of monosized spheres of three different diameters, 8, 11, and 13 mm set within cylindrical vessel of diameter dk = 74 mm, and two different heights of packed bed, hs = 300 and 400 mm. It has been proposed modification of widely used Ergun’s equation in the form of fp = [150+1.3•(Rep/(1-ε]•(1-ε2/(ε3×Rep and new correlation fp = 1/[(27.4-25700•dh/Rep+0.545+6.85•dh] for pressure drop calculation in simple and convenient form for hand and computer calculations. For total number of 362 experimental runs the correlation ratio of the modified Ergun’s relation was CR = 99.3%, and standard deviation SD = 12.2%, while novel relation has CR = 93.7% and SD = 5.4%. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. 33049

  4. Experimentally Determining β-Decay Intensities for 103,104Nb to Improve R-process Calculations

    Science.gov (United States)

    Gombas, J.; Deyoung, P. D.; Spyrou, A.; Dombos, A. C.; Lyons, S.; SuN Collaboration

    2017-09-01

    The rapid neutron capture process (r-process) is responsible for the formation of nuclei heavier than iron. This process is theorized to occur in supernovas and/or neutron star mergers. R-process calculations require the accurate knowledge of a significant amount of nuclear properties, the majority of which are not known experimentally. Nuclear masses, β-decay properties and neutron-capture reactions are all input ingredients into r-process models. This present study focuses on the β decay of 103Nb and 104Nb. The β decay of 103Nb and 104Nb, two nuclei found in the r-process, were observed at the NSCL using the Summing NaI (SuN) detector. An unstable beam implanted inside SuN. The γ rays were measured in coincidence with the emitted electrons. The β-decay intensity function was then extracted. The experimentally determined functions for 103Nb and 104Nb will be compared to predictions made by the Quasi Random Phase Approximation (QRPA) model. These theoretical calculations are used in astrophysical models of the r-process. This comparison will lead to a better understanding of the nuclear structure for 103Nb and 104Nb. A more dependable prediction of the formation of heavier nuclei birthed from supernovas or neutron star mergers can then be made. This material is based upon work supported by the National Science Foundation under Grant No. PHY-1613188 and PHY-1306074, and by the Hope College Department of Physics Guess Research Fund.

  5. Local approach: fracture at high temperature in an austenitic stainless steel submitted to thermomechanical loadings. Calculations and experimental validations

    International Nuclear Information System (INIS)

    Poquillon, D.

    1997-10-01

    Usually, for the integrity assessment of defective components, well established rules are used: global approach to fracture. A more fundamental way to deal with these problems is based on the local approach to fracture. In this study, we choose this way and we perform numerical simulations of intergranular crack initiation and intergranular crack propagation. This type of damage can be find in components of fast breeder reactors in 316 L austenitic stainless steel which operate at high temperatures. This study deals with methods coupling partly the behaviour and the damage for crack growth in specimens submitted to various thermomechanical loadings. A new numerical method based on finite element computations and a damage model relying on quantitative observations of grain boundary damage is proposed. Numerical results of crack initiation and growth are compared with a number of experimental data obtained in previous studies. Creep and creep-fatigue crack growth are studied. Various specimen geometries are considered: compact Tension Specimens and axisymmetric notched bars tested under isothermal (600 deg C) conditions and tubular structures containing a circumferential notch tested under thermal shock. Adaptative re-meshing technique and/or node release technique are used and compared. In order to broaden our knowledge on stress triaxiality effects on creep intergranular damage, new experiments are defined and conducted on sharply notched tubular specimens in torsion. These isothermal (600 deg C) Mode II creep tests reveal severe intergranular damage and creep crack initiation. Calculated damage fields at the crack tip are compared with the experimental observations. The good agreement between calculations and experimental data shows the damage criterion used can improve the accuracy of life prediction of components submitted to intergranular creep damage. (author)

  6. Calculated and experimental definition of neutron-physical and temperature conditions of material testing in the SM reactor

    International Nuclear Information System (INIS)

    Toporova, V.G.; Pimenov, V.V.

    2004-01-01

    Full text: Reactor material science is one of the main scientific directions of the RIAR activities. Particularly, a wide range of materials and products testing under irradiation is performed in reactor facility SM (RF SM). To solve the tasks specified in the technical specification for an experiment, previously, the test conditions are chosen. At the minimum a space-energy distribution of neutrons and heating rate in the materials under test are important as well as temperature conditions of irradiation. The up-to-date software and libraries of nuclear data allow modeling of neutron-material interaction processes to a considerable degree of details and also obtaining a true neutron distribution by calculation methods. As a result of a great scope of work on verification, a calculation model, developed on the basis of a package of applied software MCU (option MCU-4/SM22) and analogue Monte-Carlo method, is widely used at RIAR. The MCU geometric module makes it possible to model the SM core and reflector in three-dimensional geometry with sufficient accuracy and to describe all elements of the channel structure and irradiation device with specimens. The calculation model of RF SM is tested using the results of activation experiments performed in its critical assembly, geometric parameters and structural materials of which correspond completely with the prototype. The difference in the calculated and experimental values is less than 2.5%. Possibilities of the calculated estimation of operating temperature conditions of absorbing elements under irradiation should be considered separately. As the conducted calculations and their analysis show, to define the fuel column temperature correctly, one needs reliable data on thermal-physical parameters of materials, especially ceramic ones, such as titanium, dysprosium or boron carbide. This is very important for boron carbide-absorbing elements for actually all their operation parameters (such as: gas release, swelling

  7. SU-F-T-74: Experimental Validation of Monaco Electron Monte Carlo Dose Calculation for Small Fields

    International Nuclear Information System (INIS)

    Varadhan; Way, S; Arentsen, L; Gerbi, B

    2016-01-01

    Purpose: To verify experimentally the accuracy of Monaco (Elekta) electron Monte Carlo (eMC) algorithm to calculate small field size depth doses, monitor units and isodose distributions. Methods: Beam modeling of eMC algorithm was performed for electron energies of 6, 9, 12 15 and 18 Mev for a Elekta Infinity Linac and all available ( 6, 10, 14 20 and 25 cone) applicator sizes. Electron cutouts of incrementally smaller field sizes (20, 40, 60 and 80% blocked from open cone) were fabricated. Dose calculation was performed using a grid size smaller than one-tenth of the R_8_0_–_2_0 electron distal falloff distance and number of particle histories was set at 500,000 per cm"2. Percent depth dose scans and beam profiles at dmax, d_9_0 and d_8_0 depths were measured for each cutout and energy with Wellhoffer (IBA) Blue Phantom"2 scanning system and compared against eMC calculated doses. Results: The measured dose and output factors of incrementally reduced cutout sizes (to 3cm diameter) agreed with eMC calculated doses within ± 2.5%. The profile comparisons at dmax, d_9_0 and d_8_0 depths and percent depth doses at reduced field sizes agreed within 2.5% or 2mm. Conclusion: Our results indicate that the Monaco eMC algorithm can accurately predict depth doses, isodose distributions, and monitor units in homogeneous water phantom for field sizes as small as 3.0 cm diameter for energies in the 6 to 18 MeV range at 100 cm SSD. Consequently, the old rule of thumb to approximate limiting cutout size for an electron field determined by the lateral scatter equilibrium (E (MeV)/2.5 in centimeters of water) does not apply to Monaco eMC algorithm.

  8. SU-F-T-74: Experimental Validation of Monaco Electron Monte Carlo Dose Calculation for Small Fields

    Energy Technology Data Exchange (ETDEWEB)

    Varadhan [Minneapolis Radiation Oncology, Fridley, MN (United States); Way, S [Minneapolis Radiation Oncology, Robbinsdale, MN (United States); Arentsen, L; Gerbi, B [University of Minnesota, Minneapolis, MN (United States)

    2016-06-15

    Purpose: To verify experimentally the accuracy of Monaco (Elekta) electron Monte Carlo (eMC) algorithm to calculate small field size depth doses, monitor units and isodose distributions. Methods: Beam modeling of eMC algorithm was performed for electron energies of 6, 9, 12 15 and 18 Mev for a Elekta Infinity Linac and all available ( 6, 10, 14 20 and 25 cone) applicator sizes. Electron cutouts of incrementally smaller field sizes (20, 40, 60 and 80% blocked from open cone) were fabricated. Dose calculation was performed using a grid size smaller than one-tenth of the R{sub 80–20} electron distal falloff distance and number of particle histories was set at 500,000 per cm{sup 2}. Percent depth dose scans and beam profiles at dmax, d{sub 90} and d{sub 80} depths were measured for each cutout and energy with Wellhoffer (IBA) Blue Phantom{sup 2} scanning system and compared against eMC calculated doses. Results: The measured dose and output factors of incrementally reduced cutout sizes (to 3cm diameter) agreed with eMC calculated doses within ± 2.5%. The profile comparisons at dmax, d{sub 90} and d{sub 80} depths and percent depth doses at reduced field sizes agreed within 2.5% or 2mm. Conclusion: Our results indicate that the Monaco eMC algorithm can accurately predict depth doses, isodose distributions, and monitor units in homogeneous water phantom for field sizes as small as 3.0 cm diameter for energies in the 6 to 18 MeV range at 100 cm SSD. Consequently, the old rule of thumb to approximate limiting cutout size for an electron field determined by the lateral scatter equilibrium (E (MeV)/2.5 in centimeters of water) does not apply to Monaco eMC algorithm.

  9. Experimental 64Zn(d⃗,t)63Zn spectroscopic factors: Guidance for isospin-symmetry-breaking calculations

    Science.gov (United States)

    Leach, K. G.; Garrett, P. E.; Towner, I. S.; Ball, G. C.; Bildstein, V.; Brown, B. A.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wirth, H.-F.; Wong, J.

    2013-06-01

    With the recent inclusion of core orbitals to the radial-overlap component of the isospin-symmetry-breaking (ISB) corrections for superallowed Fermi β decay, experimental data are needed to test the validity of the theoretical model. This work reports measurements of single-neutron pickup reaction spectroscopic factors into 63Zn, one neutron away from 62Zn, the superallowed daughter of 62Ga. The experiment was performed using a 22-MeV polarized deuteron beam, a Q3D magnetic spectrograph, and a cathode-strip focal-plane detector to analyze outgoing tritons at nine angles between 10∘ and 60∘. Angular distributions and vector analyzing powers were obtained for all 162 observed states in 63Zn, including 125 newly observed levels, up to an excitation energy of 4.8 MeV. Spectroscopic factors are extracted and compared to several shell-model predictions, and implications for the ISB calculations are discussed.

  10. Determination of ultra-short laser induced damage threshold of KH2PO4 crystal: Numerical calculation and experimental verification

    Directory of Open Access Journals (Sweden)

    Jian Cheng

    2016-03-01

    Full Text Available Rapid growth and ultra-precision machining of large-size KDP (KH2PO4 crystals with high laser damage resistance are tough challenges in the development of large laser systems. It is of high interest and practical significance to have theoretical models for scientists and manufacturers to determine the laser-induced damage threshold (LIDT of actually prepared KDP optics. Here, we numerically and experimentally investigate the laser-induced damage on KDP crystals in ultra-short pulse laser regime. On basis of the rate equation for free electron generation, a model dedicated to predicting the LIDT is developed by considering the synergistic effect of photoionization, impact ionization and decay of electrons. Laser damage tests are performed to measure the single-pulse LIDT with several testing protocols. The testing results combined with previously reported experimental data agree well with those calculated by the model. By taking the light intensification into consideration, the model is successfully applied to quantitatively evaluate the effect of surface flaws inevitably introduced in the preparation processes on the laser damage resistance of KDP crystals. This work can not only contribute to further understanding of the laser damage mechanisms of optical materials, but also provide available models for evaluating the laser damage resistance of exquisitely prepared optical components used in high power laser systems.

  11. Theoretical calculations and experimental verification for the pumping effect caused by the dynamic micro-tapered angle

    Science.gov (United States)

    Cai, Yufei; Zhang, Jianhui; Zhu, Chunling; Huang, Jun; Jiang, Feng

    2016-05-01

    The atomizer with micro cone apertures has advantages of ultra-fine atomized droplets, low power consumption and low temperature rise. The current research of this kind of atomizer mainly focuses on the performance and its application while there is less research of the principle of the atomization. Under the analysis of the dispenser and its micro-tapered aperture's deformation, the volume changes during the deformation and vibration of the micro-tapered aperture on the dispenser are calculated by coordinate transformation. Based on the characters of the flow resistance in a cone aperture, it is found that the dynamic cone angle results from periodical changes of the volume of the micro-tapered aperture of the atomizer and this change drives one-way flows. Besides, an experimental atomization platform is established to measure the atomization rates with different resonance frequencies of the cone aperture atomizer. The atomization performances of cone aperture and straight aperture atomizers are also measured. The experimental results show the existence of the pumping effect of the dynamic tapered angle. This effect is usually observed in industries that require low dispersion and micro- and nanoscale grain sizes, such as during production of high-pressure nozzles and inhalation therapy. Strategies to minimize the pumping effect of the dynamic cone angle or improve future designs are important concerns. This research proposes that dynamic micro-tapered angle is an important cause of atomization of the atomizer with micro cone apertures.

  12. Assessment of theoretical and experimental results in the calculation of atmospheric dilution factors in the Atucha I nuclear power plant

    International Nuclear Information System (INIS)

    Quintana, E.E.; Tossi, M.H.; Telleria, D.M.

    1990-01-01

    Collective doses produced during the normal working of the Atucha I Nuclear Power Plant are calculated using annual atmospheric factors. This work studies the behaviour of the dilution factors in different periods of the year in order to fit the calculated dose model applying factors from seasonal, monthly or weekly periods. The Radiation Protection Group of the C.N.E.A. have carried out continuous environmental monitoring in the surroundings of the Atucha I Nuclear Power Plant. These studies include the measurement of air tritium concentration, radionuclide that is found principally as tritiated water vapour. This isotope, normally released by the nuclear power plant was used as a tracer to assess the atmospheric dilution factors. Factors were calculated by two methods: an experimental one, based on environmental measurements of the tritium concentration in the surroundings of the nuclear power plant and another one by applying a theoretical model based on information from the micrometeorological tower located in the mentioned place. To carry out the environmental monitoring, four monitoring stations in the surroundings of the power plant were chosen. Three of them are approximately one kilometer from the plant and the fourth is 7.5 km away, near the city of Lima. To condense and collect the atmospheric water vapour, an overcooling system was used. The measurement was performed by liquid scintillation counting, previous alkaline electrolytical enrichment of the samples. The theoretical model uses hourly values of direction and wind intensity, as well as the atmospheric dispersive properties. Values obtained during the period 1976 to 1988 allowed, applying statistical tests, to validate the theoretical model and to observe seasonal variation of the dilution factors throughout the same year and between different years. Finally, results and graphics are presented showing that the behaviour of the dilution factors in different periods of the year. It is recommended to

  13. Calculating and experimental technique for forecasting the bipolar digital integrated circuit response; Raschetno-ehksperimental`nyj metod prognozirovaniya reaktsii bipolyarnykh Ts IS

    Energy Technology Data Exchange (ETDEWEB)

    Butin, V I; Trofimov, Eh N

    1994-12-31

    Typical responses of the bipolar digital integrated circuits (DIC) of the combination type under the action of pulse gamma radiation are presented. Analysis of the DIC transients is carried out. A calculation-experimental method for forecasting the temporal serviceability loss of bipolar DIC is proposed. The reliability of the method is confirmed experimentally. 1 fig.

  14. An experimental and theoretical study of molecular structure and vibrational spectra of 2-methylphenyl boronic acid by density functional theory calculations

    Science.gov (United States)

    Hiremath, Sudhir M.; Hiremath, C. S.; Khemalapure, S. S.; Patil, N. R.

    2018-05-01

    This paper reports the experimental and theoretical study on the structure and vibrations of 2-Methylphenyl boronic acid (2MPBA). The different spectroscopic techniques such as FT-IR (4000-400 cm-1) and FT-Raman (4000-50 cm-1) of the title molecule in the solid phase were recorded. The geometry of the molecule was fully optimized using density functional theory (DFT) (B3LYP) with 6-311++G(d, p) basis set calculations. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. Vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. The calculated wavenumbers showed the best agreement with the experimental results. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

  15. Calculated fraction of an incident current pulse that will be accelerated by an electron linear accelerator and comparisons with experimental data

    International Nuclear Information System (INIS)

    Alsmiller, R.G. Jr.; Alsmiller, F.S.; Lewis, T.A.

    1986-05-01

    In a series of previous papers, calculated results obtained using a one-dimensional ballistic model were presented to aid in the design of a prebuncher for the Oak Ridge Electron Linear Accelerator. As part of this work, a model was developed to provide limits on the fraction of an incident current pulse that would be accelerated by the existing accelerator. In this paper experimental data on this fraction are presented and the validity of the model developed previously is tested by comparing calculated and experimental data. Part of the experimental data is used to fix the physical parameters in the model and then good agreement between the calculated results and the rest of the experimental data is obtained

  16. Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results

    International Nuclear Information System (INIS)

    Hsu, Hsiao-Hsuan; Cheng, Chun-Hu; Chiou, Shan-Haw; Huang, Chiung-Hui; Liu, Chia-Mei; Lin, Yu-Li; Chao, Wen-Hsuan; Yang, Ping-Hsing; Chang, Chun-Yen; Cheng, Chin-Pao

    2014-01-01

    Highlights: • The diffusion behavior was originated from high-vapor-pressure Te atom. • Te out-diffusion is main driving force to cause inter-diffusion effect. • Mid-band Ta and TaN with favored ohmic-like contact showed small diffusion tail. • Strong Ta-N bonding and high total energy suppressed interfacial layer formation. -- Abstract: This study involved developing robust diffusion barrier for n-type antimony telluride (SbTe) thermoelectric devices. Compared to conventional Ni barrier, the mid-band metals of Ta and TaN with favored ohmic-like contact exhibited smaller diffusion tail because of structurally stable interface on SbTe, which have been supported by first-principles calculations and demonstrated by experimental results. Furthermore, the TaN barrier has strong ionic Ta–N bonding and a high total energy of −4.7 eV/atom that could effectively suppress the formation of SbTe-compounds interfacial layer

  17. Experimental studies by complementary terahertz techniques and semi-classical calculations of N2- broadening coefficients of CH335Cl

    International Nuclear Information System (INIS)

    Guinet, M.; Rohart, F.; Buldyreva, J.; Gupta, V.; Eliet, S.; Motiyenko, R.A.; Margulès, L.; Cuisset, A.; Hindle, F.; Mouret, G.

    2012-01-01

    Room-temperature N 2 -broadening coefficients of methyl chloride rotational lines are measured over a large interval of quantum numbers (6≤J≤50, 0≤K≤18) by a submillimeter frequency-multiplication chain (J≤31) and a terahertz photomixing continuous-wave spectrometer (J≥31). In order to check the accuracy of both techniques, the measurements of identical lines are compared for J=31. The pressure broadening coefficients are deduced from line fits using mainly a Voigt profile model. The excellent signal-to-noise ratio of the frequency-multiplication scheme highlights some speed dependence effect on the line shape. Theoretical values of these coefficients are calculated by a semi-classical approach with exact trajectories. An intermolecular potential including atom-atom interactions is used for the first time. It is shown that, contrary to the previous theoretical predictions, the contributions of short-range forces are important for all values of the rotational quantum numbers. Additional testing of modifications required in the semi-classical formalism for a correct application of the cumulant expansion is also performed. It is stated that the use of the cumulant average on the rotational states of the perturbing molecule leads, for high J and small K values, to slightly higher line-broadening coefficients, as expected for the relatively strong interacting CH 3 Cl-N 2 system. The excellent agreement between the theoretical and the experimental results ensures the reliability of these data.

  18. Relaxation of energetic S(1D) atoms in Xe gas: comparison of ab initio calculations with experimental data.

    Science.gov (United States)

    Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A

    2011-07-14

    In this paper, we report our investigation of the translational energy relaxation of fast S((1)D) atoms in a Xe thermal bath. The interaction potential of Xe-S was constructed using ab initio methods. Total and differential cross sections were then calculated. The latter have been incorporated into the construction of the kernel of the Boltzmann equation describing the energy relaxation process. The solution of the Boltzmann equation was obtained and results were compared with those reported in experiments [G. Nan, and P. L. Houston, J. Chem. Phys. 97, 7865 (1992)]. Good agreement with the measured time-dependent relative velocity of fast S((1)D) atoms was obtained except at long relaxation times. The discrepancy may be due to the error accumulation caused by the use of hard sphere approximation and the Monte Carlo analysis of the experimental data. Our accurate description of the energy relaxation process led to an increase in the number of collisions required to achieve equilibrium by an order of magnitude compared to the number given by the hard-sphere approximation.

  19. Experimental studies by complementary terahertz techniques and semi-classical calculations of N2- broadening coefficients of CH335Cl

    Science.gov (United States)

    Guinet, M.; Rohart, F.; Buldyreva, J.; Gupta, V.; Eliet, S.; Motiyenko, R. A.; Margulès, L.; Cuisset, A.; Hindle, F.; Mouret, G.

    2012-07-01

    Room-temperature N2-broadening coefficients of methyl chloride rotational lines are measured over a large interval of quantum numbers (6≤J≤50, 0≤K≤18) by a submillimeter frequency-multiplication chain (J≤31) and a terahertz photomixing continuous-wave spectrometer (J≥31). In order to check the accuracy of both techniques, the measurements of identical lines are compared for J=31. The pressure broadening coefficients are deduced from line fits using mainly a Voigt profile model. The excellent signal-to-noise ratio of the frequency-multiplication scheme highlights some speed dependence effect on the line shape. Theoretical values of these coefficients are calculated by a semi-classical approach with exact trajectories. An intermolecular potential including atom-atom interactions is used for the first time. It is shown that, contrary to the previous theoretical predictions, the contributions of short-range forces are important for all values of the rotational quantum numbers. Additional testing of modifications required in the semi-classical formalism for a correct application of the cumulant expansion is also performed. It is stated that the use of the cumulant average on the rotational states of the perturbing molecule leads, for high J and small K values, to slightly higher line-broadening coefficients, as expected for the relatively strong interacting CH3Cl-N2 system. The excellent agreement between the theoretical and the experimental results ensures the reliability of these data.

  20. Monte Carlo calculations and experimental results of Bonner spheres systems with a new cylindrical Helium-3 proportional counter

    CERN Document Server

    Müller, H; Bouassoule, T; Fernández, F; Pochat, J L; Tomas, M; Van Ryckeghem, L

    2002-01-01

    The experimental results on neutron energy spectra, integral fluences and equivalent dose measurements performed by means of a Bonner sphere system placed inside the containment building of the Vandellos II Nuclear Power Plant (Tarragona, Spain) are presented. The equivalent dose results obtained with this system are compared to those measured with different neutron area detectors (Berthold, Dineutron, Harwell). A realistic geometry model of the Bonner sphere system with a new cylindrical counter type 'F' (0,5NH1/1KI--Eurisys Mesures) and with a set of eight polyethylene moderating spheres is described in detail. The response function in fluence of this new device, to mono-energetic neutrons from thermal energy to 20 MeV, is calculated by the MCNP-4B code for each moderator sphere. The system has been calibrated at IPSN Cadarache facility for ISO Am-Be calibrated source and thermal neutron field, then the response functions were confirmed by measurements at PTB (Germany) for ISO recommended energies of mono-e...

  1. SU-F-J-146: Experimental Validation of 6 MV Photon PDD in Parallel Magnetic Field Calculated by EGSnrc

    Energy Technology Data Exchange (ETDEWEB)

    Ghila, A; Steciw, S; Fallone, B; Rathee, S [Cross Cancer Institute, Edmonton, AB (Canada)

    2016-06-15

    Purpose: Integrated linac-MR systems are uniquely suited for real time tumor tracking during radiation treatment. Understanding the magnetic field dose effects and incorporating them in treatment planning is paramount for linac-MR clinical implementation. We experimentally validated the EGSnrc dose calculations in the presence of a magnetic field parallel to the radiation beam travel. Methods: Two cylindrical bore electromagnets produced a 0.21 T magnetic field parallel to the central axis of a 6 MV photon beam. A parallel plate ion chamber was used to measure the PDD in a polystyrene phantom, placed inside the bore in two setups: phantom top surface coinciding with the magnet bore center (183 cm SSD), and with the magnet bore’s top surface (170 cm SSD). We measured the field of the magnet at several points and included the exact dimensions of the coils to generate a 3D magnetic field map in a finite element model. BEAMnrc and DOSXYZnrc simulated the PDD experiments in parallel magnetic field (i.e. 3D magnetic field included) and with no magnetic field. Results: With the phantom surface at the top of the electromagnet, the surface dose increased by 10% (compared to no-magnetic field), due to electrons being focused by the smaller fringe fields of the electromagnet. With the phantom surface at the bore center, the surface dose increased by 30% since extra 13 cm of air column was in relatively higher magnetic field (>0.13T) in the magnet bore. EGSnrc Monte Carlo code correctly calculated the radiation dose with and without the magnetic field, and all points passed the 2%, 2 mm Gamma criterion when the ion chamber’s entrance window and air cavity were included in the simulated phantom. Conclusion: A parallel magnetic field increases the surface and buildup dose during irradiation. The EGSnrc package can model these magnetic field dose effects accurately. Dr. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi

  2. Experimental validation of calculation schemes connected with PWR absorbers and burnable poisons; Validation experimentale des schemas de calcul relatifs aux absorbants et poisons consommables dans les REP

    Energy Technology Data Exchange (ETDEWEB)

    Klenov, P.

    1995-10-01

    In France 80% of electricity is produced by PWR reactors. For a better exploitation of these reactors a modular computer code Apollo-II has been developed. his code compute the flux transport by discrete ordinate method or by probabilistic collisions on extended configurations such as reactor cells, assemblies or little cores. For validation of this code on mixed oxide fuel lattices with absorbers an experimental program Epicure in the reactor Eole was induced. This thesis is devoted to the validation of the Apollo code according to the results of the Epicure program. 43 refs., 65 figs., 1 append.

  3. Integrated design of Nb-based superalloys: Ab initio calculations, computational thermodynamics and kinetics, and experimental results

    International Nuclear Information System (INIS)

    Ghosh, G.; Olson, G.B.

    2007-01-01

    An optimal integration of modern computational tools and efficient experimentation is presented for the accelerated design of Nb-based superalloys. Integrated within a systems engineering framework, we have used ab initio methods along with alloy theory tools to predict phase stability of solid solutions and intermetallics to accelerate assessment of thermodynamic and kinetic databases enabling comprehensive predictive design of multicomponent multiphase microstructures as dynamic systems. Such an approach is also applicable for the accelerated design and development of other high performance materials. Based on established principles underlying Ni-based superalloys, the central microstructural concept is a precipitation strengthened system in which coherent cubic aluminide phase(s) provide both creep strengthening and a source of Al for Al 2 O 3 passivation enabled by a Nb-based alloy matrix with required ductile-to-brittle transition temperature, atomic transport kinetics and oxygen solubility behaviors. Ultrasoft and PAW pseudopotentials, as implemented in VASP, are used to calculate total energy, density of states and bonding charge densities of aluminides with B2 and L2 1 structures relevant to this research. Characterization of prototype alloys by transmission and analytical electron microscopy demonstrates the precipitation of B2 or L2 1 aluminide in a (Nb) matrix. Employing Thermo-Calc and DICTRA software systems, thermodynamic and kinetic databases are developed for substitutional alloying elements and interstitial oxygen to enhance the diffusivity ratio of Al to O for promotion of Al 2 O 3 passivation. However, the oxidation study of a Nb-Hf-Al alloy, with enhanced solubility of Al in (Nb) than in binary Nb-Al alloys, at 1300 deg. C shows the presence of a mixed oxide layer of NbAlO 4 and HfO 2 exhibiting parabolic growth

  4. Comparison of calculated and experimental isotope edited FTIR difference spectra for purple bacterial photosynthetic reaction centers with different quinones incorporated into the QA binding site.

    Directory of Open Access Journals (Sweden)

    Nan eZhao

    2013-08-01

    Full Text Available Previously we have shown that ONIOM type (QM/MM calculations can be used to simulate isotope edited FTIR difference spectra for neutral ubiquinone in the QA binding site in Rhodobacter sphaeroides photosynthetic reaction centers. Here we considerably extend upon this previous work by calculating isotope edited FTIR difference spectra for reaction centers with a variety of unlabeled and 18O labeled foreign quinones incorporated into the QA binding site. Isotope edited spectra were calculated for reaction centers with 2,3-dimethoxy-5,6-dimethyl-1,4-benzoquinone (MQ0, 2,3,5,6-tetramethyl-1,4-benzoquinone (duroquinone, DQ, and 2,3-dimethyl-l,4-naphthoquinone (DMNQ incorporated, and compared to corresponding experimental spectra. The calculated and experimental spectra agree well, further demonstrating the utility and applicability of our ONIOM approach for calculating the vibrational properties of pigments in protein binding sites.The normal modes that contribute to the bands in the calculated spectra, their composition, frequency and intensity, and how these quantities are modified upon 18O labeling, are presented. This computed information leads to a new and more detailed understanding/interpretation of the experimental FTIR difference spectra. Hydrogen bonding to the carbonyl groups of the incorporated quinones is shown to be relatively weak. It is also shown that there is some asymmetry in hydrogen bonding, accounting for 10-13 cm-1 separation in the frequencies of the carbonyl vibrational modes of the incorporated quinones. The extent of asymmetry H-bonding could only be established by considering the spectra for various types of quinones incorporated into the QA binding site. The quinones listed above are tail-less. Spectra were also calculated for reaction centers with corresponding tail containing quinones incorporated, and it is found that replacement of the quinone methyl group by a phytyl or prenyl chain does not alter ONIOM calculated s

  5. Neutron Elastic Scattering Cross Sections Experimental Data and Optical Model Cross Section Calculations. A Compilation of Neutron Data from the Studsvik Neutron Physics Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Holmqvist, B; Wiedling, T

    1969-06-15

    Neutron elastic scattering cross section measurements have been going on for a long period at the Studsvik Van de Graaff laboratory. The cross sections of a range of elements have been investigated in the energy interval 1.5 to 8 MeV. The experimental data have been compared with cross sections calculated with the optical model when using a local nuclear potential.

  6. A method to compare calculated and experimental 14 MeV neutron attenuation coefficient and to determine the total removal cross-section

    International Nuclear Information System (INIS)

    Elay, A.G.

    1978-01-01

    A method to compare calculated and experimental neutron attenuation coefficients (chi) when samples are o, different geometries but the same material is proposed. The best Σ (total removal cross section) is determined by using the fact that the logarithm of the attenuation coefficient varies linearly with respect to Σ i.e. lg chi = + asub(s) Σ, where asub(s) is a parameter that characterises all the geometrical experimental conditions of the neutron source, the sample and the relative source-to-sample geometry. In order to increase the precision, samples of different geometries but the same material were used. Values of chi are determined experimentally and asub(s) calculated for these geometries. The graph of lg chi as a function of asub(s) together with a simple fit to a straight line is sufficient to determine Σ (the slope of the line). (T.G.)

  7. Integrated system for production of neutronics and photonics calculational constants. Neutron-induced interactions: index of experimental data

    International Nuclear Information System (INIS)

    MacGregor, M.H.; Cullen, D.E.; Howerton, R.J.; Perkins, S.T.

    1976-01-01

    Indexes to the neutron-induced interaction data in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976 are tabulated. The tabulation has two arrangements: isotope (ZA) order and reaction-number order

  8. Integrated system for production of neutronics and photonics calculational constants. Neutron-induced interactions: bibliography of experimental data

    International Nuclear Information System (INIS)

    MacGregor, M.H.; Cullen, D.E.; Howerton, R.J.; Perkins, S.T.

    1976-01-01

    The bibliographic citations in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976 are tabulated. The tabulation has three arrangements: alphabetically by author, alphabetically by publication, and numerically by reference number

  9. Integrated system for production of neutronics and photonics calculational constants. Neutron-induced interactions: bibliography of experimental data

    Energy Technology Data Exchange (ETDEWEB)

    MacGregor, M.H.; Cullen, D.E.; Howerton, R.J.; Perkins, S.T.

    1976-07-04

    The bibliographic citations in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976 are tabulated. The tabulation has three arrangements: alphabetically by author, alphabetically by publication, and numerically by reference number.

  10. Integrated system for production of neutronics and photonics calculational constants. Neutron-induced interactions: index of experimental data

    Energy Technology Data Exchange (ETDEWEB)

    MacGregor, M.H.; Cullen, D.E.; Howerton, R.J.; Perkins, S.T.

    1976-07-04

    Indexes to the neutron-induced interaction data in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976 are tabulated. The tabulation has two arrangements: isotope (ZA) order and reaction-number order.

  11. Experimental evaluation of ability of Relap5, Drako, Flowmaster2TM and program using unsteady wall friction model to calculate water hammer loadings on pipelines

    International Nuclear Information System (INIS)

    Marcinkiewicz, Jerzy; Adamowski, Adam; Lewandowski, Mariusz

    2008-01-01

    Mechanical loadings on pipe systems caused by water hammer (hydraulic transients) belong to the most important and most difficult to calculate design loadings in nuclear power plants. The most common procedure in Sweden is to calculate the water hammer loadings on pipe segments, according to the classical one-dimensional (1D) theory of liquid transient flow in a pipeline, and then transfer the results to strength analyses of pipeline structure. This procedure assumes that there is quasi-steady respond of the pipeline structure to pressure surges-no dynamic interaction between the fluid and the pipeline construction. The hydraulic loadings are calculated with 1D so-called 'network' programs. Commonly used in Sweden are Relap5, Drako and Flowmaster2-all using quasi-steady wall friction model. As a third party accredited inspection body Inspecta Nuclear AB reviews calculations of water hammer loadings. The presented work shall be seen as an attempt to illustrate ability of Relap5, Flowmaster2 and Drako programs to calculate the water hammer loadings. A special attention was paid to using of Relap5 for calculation of water hammer pressure surges and forces (including some aspects of influence of Courant number on the calculation results) and also the importance of considering the dynamic (or unsteady) friction models. The calculations are compared with experimental results. The experiments have been conducted at a test rig designed and constructed at the Szewalski Institute of Fluid Flow Machinery of the Polish Academy of Sciences (IMP PAN) in Gdansk, Poland. The analyses show quite small differences between pressures and forces calculated with Relap5, Flowmaster2 and Drako (the differences regard mainly damping of pressure waves). The comparison of calculated and measured pressures and also a force acting on a pre-defined pipe segment shows significant differences. It is shown that the differences can be reduced by using unsteady friction models in calculations

  12. Calculational experimental examination and ensuring of equipment and pipelines seismic resistance at starting and operating water-cooled and moderated reactor WWER-type NPPs. Final report

    International Nuclear Information System (INIS)

    1999-01-01

    The results of testing of equipment at Bohunice NPP and pipeline systems at Unit 3 of Kozloduy NPP (WWER-440 type reactors) are presented in this Final Report. These results side by side with experimental values of natural frequencies and decrements also include experimental data about vibration modes of tested equipment and pipelines. For the first time the results of new calculational-experimental examination of equipment seismic resistance at Unit 2 of Armenian NPP are presented. At Kozloduy NPP direction's request the planed additional tests of some selected items were put off on 1997. Instead of postponed tests we carried out detailed analysis of our past inspections of numerous equipment seismic resistance at the Unit 5 of Kozloduy NPP. Experimental data with results of additional analysis are presented

  13. Calculating buoy response for a wave energy converter—A comparison of two computational methods and experimental results

    Directory of Open Access Journals (Sweden)

    Linnea Sjökvist

    2017-05-01

    Full Text Available When designing a wave power plant, reliable and fast simulation tools are required. Computational fluid dynamics (CFD software provides high accuracy but with a very high computational cost, and in operational, moderate sea states, linear potential flow theories may be sufficient to model the hydrodynamics. In this paper, a model is built in COMSOL Multiphysics to solve for the hydrodynamic parameters of a point-absorbing wave energy device. The results are compared with a linear model where the hydrodynamical parameters are computed using WAMIT, and to experimental results from the Lysekil research site. The agreement with experimental data is good for both numerical models.

  14. Experimental and Theoretical Investigations on the Validity of Geometrical Optics Model for Calculating the Stability of Optical Traps

    NARCIS (Netherlands)

    Bakker schut, T.C.; Bakker Schut, Tom C.; Hesselink, Gerlo; Hesselink, Gerlo; de Grooth, B.G.; Greve, Jan

    1991-01-01

    We have developed a computer program based on the geometrical optics approach proposed by Roosen to calculate the forces on dielectric spheres in focused laser beams. We have explicitly taken into account the polarization of the laser light and thd divergence of the laser beam. The model can be used

  15. Toward calculations of the 129Xe chemical shift in Xe@C60 at experimental conditions: Relativity, correlation, and dynamics

    Czech Academy of Sciences Publication Activity Database

    Straka, Michal; Lantto, P.; Vaara, J.

    2008-01-01

    Roč. 112, č. 12 (2008), s. 2658-2668 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * theoretical calculations * role of dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.871, year: 2008

  16. Comparison of explicit calculations for n = 3 to 8 dielectronic satellites of the FeXXV Kα resonance line with experimental data from the Tokamak Fusion Test Reactor

    International Nuclear Information System (INIS)

    Decaux, V.; Bitter, M.; Hsuan, H.; Hill, K.W.; von Goeler, S.; Park, H.; Bhalla, C.P.

    1991-12-01

    Dielectronic satellite spectra of the FeXXV Kα resonance line observed from the Tokamak Fusion Test Reactor (TFTR) plasmas have been compared with recent explicit calculations for the n = 3 to 8 dielectronic satellites as well as the earlier theoretical predictions, which were based on the 1/n 3 scaling law for n > 4 satellites. The analysis has been performed by least-squares fits of synthetic spectra to the experimental data. The synthetic spectra constructed from both theories are in good agreement with the observed data. However, the electron temperature values obtained from the fit of the present explicit calculations are in better agreement with independent measurements. 20 refs., 4 figs

  17. Calculation of bulk charge and electric field profiles in one-open-face coaxial γ-detectors using experimental C-U characteristics

    International Nuclear Information System (INIS)

    Kirnas, I.G.; Litovchenko, P.G.; Petrosyan, E.E.; Pashchuk, N.N.

    1987-01-01

    Experimental C-U characteristics of one-open-face coaxial detectors are employed in deriving an analytic expression that describes the distributions of ionized impurity bulk charge e(N a - N d ) and electric field E(r) for arbitrary variations of N a - N d in the detector volume. As an example, e(N a - N d ) = f(r) and E(r) are calculated for a Ge(Li)-detector whose experimental C-U characteristics is approximated by a power law with exponent two. (author)

  18. Scientific and technical conference Thermophysical experimental and calculating and theoretical studies to justify characteristics and safety of fast reactors. Thermophysics-2012. Book of abstracts

    International Nuclear Information System (INIS)

    Kalyakin, S.G.; Kukharchuk, O.F.; Sorokin, A.P.

    2012-01-01

    The collection includes abstracts of reports of scientific and technical conference Thermophysics-2012 which has taken place on October 24-26, 2012 in Obninsk. In abstracts the following questions are considered: experimental and calculating and theoretical studies of thermal hydraulics of liquid-metal cooled fast reactors to justify their characteristics and safety; physico-chemical processes in the systems with liquid-metal coolants (LMC); physico-chemical characteristics and thermophysical properties of LMC; development of models, computational methods and calculational codes for simulating processes of of hydrodynamics, heat and mass transfer, including impurities mass transfer in the systems with LMC; methods and means for control of composition and condition of LMC in fast reactor circuits on impurities and purification from them; apparatuses, equipment and technological processes at the work with LMC taking into account the ecology, including fast reactors decommissioning; measuring techniques, sensors and devices for experimental studies of heat and mass transfer in the systems with LMC [ru

  19. Electronic structure and optical properties of Cs2HgI4: Experimental study and band-structure DFT calculations

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Myronchuk, G. L.; Khvyshchun, M.; Fedorchuk, A. O.; Parasyuk, O. V.; Khyzhun, O. Y.

    2015-04-01

    High-quality single crystal of cesium mercury tetraiodide, Cs2HgI4, has been synthesized by the vertical Bridgman-Stockbarger method and its crystal structure has been refined. In addition, electronic structure and optical properties of Cs2HgI4 have been studied. For the crystal under study, X-ray photoelectron core-level and valence-band spectra for pristine and Ar+-ion irradiated surfaces have been measured. The present X-ray photoelectron spectroscopy (XPS) results indicate that the Cs2HgI4 single crystal surface is very sensitive with respect to Ar+ ion-irradiation. In particular, Ar+ bombardment of the single crystal surface alters the elemental stoichiometry of the Cs2HgI4 surface. To elucidate peculiarities of the energy distribution of the electronic states within the valence-band and conduction-band regions of the Cs2HgI4 compound, we have performed first-principles band-structure calculations based on density functional theory (DFT) as incorporated in the WIEN2k package. Total and partial densities of states for Cs2HgI4 have been calculated. The DFT calculations reveal that the I p states make the major contributions in the upper portion of the valence band, while the Hg d, Cs p and I s states are the dominant contributors in its lower portion. Temperature dependence of the light absorption coefficient and specific electrical conductivity has been explored for Cs2HgI4 in the temperature range of 77-300 K. Main optical characteristics of the Cs2HgI4 compound have been elucidated by the first-principles calculations.

  20. A new calculation method adapted to the experimental conditions for determining samples γ-activities induced by 14 MeV neutrons

    International Nuclear Information System (INIS)

    Rzama, A.; Erramli, H.; Misdaq, M.A.

    1994-01-01

    Induced gamma-activities of different disk shaped irradiated samples and standards with 14 MeV neutrons have been determined by using a Monte Carlo calculation method adapted to the experimental conditions. The self-absorption of the multienergetic emitted gamma rays has been taken into account in the final samples activities. The influence of the different activation parameters has been studied. Na, K, Cl and P contents in biological (red beet) samples have been determined. ((orig.))

  1. Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values

    International Nuclear Information System (INIS)

    Fazary, Ahmed E.; Alshihri, Ayed S.; Alfaifi, Mohammad Y.; Saleh, Kamel A.; Elbehairi, Serag Eldin I.; Fawy, Khaled F.; Abd-Rabboh, Hisham S.M.

    2016-01-01

    Highlights: • The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined. • The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems. - Abstract: The Experimental thermodynamic equilibrium (pK_a values) and stability (log β) constants of vanadium and platinum binary and mixed ligand complexes involving naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined at 310.15 K in 0.16 mol·dm"−"3 KCl aqueous solutions using pH-potentiometric technique and by means of two estimation models (HYPERQUAD 2008 and Bjerrum–Calvin). The theoretical calculations of overall protonation and stability constants of the metal complex species in solution were predicted as the free energy change associated with the ligand protonation, and metal ion–ligand complex formation equilibria (species solvation/de-solvation) using ab initio and density function theory (DFT) calculations. The usage of the experimental potentiometry technique and theoretical predictions provides a complete picture of the microscopic equilibria of the studied systems (vanadium/platinum–naringenin–phenolic acid). Specifically, this theoretically DFT predications would be useful to determine the most real protonation constants of the studied bioligands in which the binding sites changes due to the ligand protonation/deprotonation equilibria. Also, the complexing capacities of vanadium and platinum towards naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid in solutions were evaluated and discussed. From the

  2. Use of the ''Lagrangian and Eulerian points of view'' in the transient critical heat flux calculations for BWR rod bundles and experimental verifications

    International Nuclear Information System (INIS)

    Marinelli, V.; Pellei, A.; Vallero, P.; Vitanza, C.

    1975-01-01

    The calculations performed in comparison of the ''Lagrangian point of view'', by means of the DOLCE computer code with the local space--time approach of the ''Eulerian point of view'' indicate that the two methods give substantially equivalent results and predict satisfactorily the onset of the transient CHF for the Centro Informazioni Studi Esperienze annuli experimental data and General Electric Company 16-rod bundles data under typical boiling water reactor transients, including loss-of-coolant accident simulations. 9 references

  3. The dynamics of structures - Necessity and methodology for amendment by comparing the calculated model with experimental model

    International Nuclear Information System (INIS)

    Caneparo, B.; Zirilli, S.

    1987-01-01

    In this work relating to support structures for seismic tests, the authors present a mixed procedure necessitating the experimental measurement of natural frequencies, dampings, and the response to impulse stresses (in the case of a seismic stress, the subject of this study, a single impulse is sufficient) in the zone in question. Experimental measurements are used to adjust the finite elements model; it may then be used for later studies. In the presence of interaction with structures not included in the model, such as, for example, the means used for the actual test, it is impossible to adjust it according to the methods proposed and it is up to the experienced author to introduce the modifications judged opportune to take into account everything which is not a part of the model. The authors have, however, carried out a programme based on the local modification of Young's module, which uses only natural frequencies, useful in the adjustment process. Once the zone of poor modelling has been found, this programme enables optimizing the value of E as a function of the experimental data, whilst also furnishing an estimate of residual differences. Dynamic tests have shown that the model thus obtained can be refined by the forced impulse to an impulse stress. In addition to setting out the theories and formulae used, we then give account of verification of the methodology using a plate, and of its application to a support structure in the form of a frame for seismic tests. The appendices include both experimental measurements and tests. The authors carried out the modal analysis with even greater care than necessary in view of the methodology verification phase

  4. Multi-body simulation of a canine hind limb: model development, experimental validation and calculation of ground reaction forces

    Directory of Open Access Journals (Sweden)

    Wefstaedt Patrick

    2009-11-01

    Full Text Available Abstract Background Among other causes the long-term result of hip prostheses in dogs is determined by aseptic loosening. A prevention of prosthesis complications can be achieved by an optimization of the tribological system which finally results in improved implant duration. In this context a computerized model for the calculation of hip joint loadings during different motions would be of benefit. In a first step in the development of such an inverse dynamic multi-body simulation (MBS- model we here present the setup of a canine hind limb model applicable for the calculation of ground reaction forces. Methods The anatomical geometries of the MBS-model have been established using computer tomography- (CT- and magnetic resonance imaging- (MRI- data. The CT-data were collected from the pelvis, femora, tibiae and pads of a mixed-breed adult dog. Geometric information about 22 muscles of the pelvic extremity of 4 mixed-breed adult dogs was determined using MRI. Kinematic and kinetic data obtained by motion analysis of a clinically healthy dog during a gait cycle (1 m/s on an instrumented treadmill were used to drive the model in the multi-body simulation. Results and Discussion As a result the vertical ground reaction forces (z-direction calculated by the MBS-system show a maximum deviation of 1.75%BW for the left and 4.65%BW for the right hind limb from the treadmill measurements. The calculated peak ground reaction forces in z- and y-direction were found to be comparable to the treadmill measurements, whereas the curve characteristics of the forces in y-direction were not in complete alignment. Conclusion In conclusion, it could be demonstrated that the developed MBS-model is suitable for simulating ground reaction forces of dogs during walking. In forthcoming investigations the model will be developed further for the calculation of forces and moments acting on the hip joint during different movements, which can be of help in context with the in

  5. Theoretical calculations of L alpha one x-ray emission intensity ratios for uranium in various matrices: a comparison with experimental values

    International Nuclear Information System (INIS)

    Anderson, L.D.

    1976-01-01

    The U L/sub α1/ x-ray emission intensity ratios (I/sub lambda/sub L//I sub lambda/sub L/, sub 100 percent/sub UO 2 /) in various matrices were calculated using the fundamental parameters formula of Criss and Birks and mass absorption coefficients calculated from a formula developed by Dewey. The use of the intensity ratio made it unnecessary to know the fluorescence yield for the U L/sub III/ level, the probability of emission of the U L/sub α1/ line, and the jump ratios for the three absorption edges of uranium. Also, since an intensity ratio was used, the results are independent of the x-ray tube current and the spectral distribution of the x-ray tube. A method is presented to calculate the intensity ratios for x-ray tube voltages other than the value (45 kV) used in the calculations. The theoretical results are calculated and compared with the experimental results obtained for 141 matrices. Difficulties due to oxidation of some of the metal powders used in the sample preparation, to small concentrations of uranium, and to an excessively large number of elements present in some of the samples resulted in the invalidation of the experimental results for 91 of the matrices. For the remaining 50 matrices, the theoretical and experimental values agreed to within +-5 percent relative error for 36 matrices; to within +-5 percent to +- 10 percent for 7 matrices; to within +-10 percent to +-20 percent for 6 matrices; and was greater than +-20 percent for 1 matrix

  6. Comparison of calculated and experimentally determined SID of CP and AA in complex diets differing in AA contents for grower finisher pigs.

    Science.gov (United States)

    Büsing, K; Berk, A; Müller, S; Kieckhäven, S; Krüger, K; Zeyner, A

    2017-10-01

    In practice, the content of standardized ileal digestible AA in complex feeds for pigs is calculated on the basis of tabulated values for individual feedstuffs. It comes into question, however, whether this truly reflects an accurate content based upon the estimate made for the individual feedstuffs. The objective of this study was to compare standardized ileal digestibility (SID) of crude protein (CP) and selected AA in complex feeds for grower and finisher pigs either calculated or experimentally determined. Six diets with increasing AA levels were prepared for grower (BW from 30 to 70 kg) and finisher (BW from 70 to 120 kg) feed. Crystalline L-lys, DL-met and L-thr were added to both diets, L-trp and L-val only to the grower feed. SID of both CP and AA was calculated from feed tables and experimentally determined in six adult minipigs (MINILEWE) with ileorectal anastomosis. With increasing AA levels, experimentally determined SID of supplemented AA increased (p AA via tabulated values for individual feedstuffs, however, seems to be acceptable for practical use. Journal of Animal Physiology and Animal Nutrition © 2017 Blackwell Verlag GmbH.

  7. An investigation of differences between measured and calculated bucklings of a series of light water and heavy water moderated experimental cores

    International Nuclear Information System (INIS)

    Figgins, A.J.G.

    1966-02-01

    A series of light water and light and heavy water moderated exponential and critical experiments performed by the Babcock and Wilcox Company were analysed using the METHUSELAH programme and it was found that the calculated and measured critical bucklings differed significantly. The effect was most marked as the temperature of the moderator was raised in the light water cores where it amounted to 10 m -2 for a 200 deg. C rise above room temperature. Of this discrepancy 3 m -2 , at the most, could be explained as being caused by the experimental cores not being large enough to have a central asymptotic region, leaving an unexplained difference of 7 m -2 . It is suggested that the only region in which METHUSELAH could be usefully modified to improve this agreement is in the calculation of the resonance escape probability. The last section of the report compares the calculated and measured results obtained at room temperatures. (author)

  8. The clearance potential index and hazard factors of CANDU fuel bundle and a comparison of experimental-calculated inventories

    International Nuclear Information System (INIS)

    Pavelescu, Alexandru Octavian; Cepraga, Dan Gabriel

    2007-01-01

    In the field of radioactive waste management, the radiotoxicity can be characterized by two different approaches: 1) IAEA, 2004 RS-G-1.7 clearance concept and 2) US, 10CFR20 radioactivity concentration guides in terms of ingestion / inhalation hazard expressed in m 3 of water/air. A comparison between the two existing safety concepts was made in the paper. The modeled case was a CANDU natural uranium, 37 elements fuel bundle with a reference burnup of 685 GJ/kgU (7928.24 MWd/tU). The radiotoxicity of the light nuclide inventories, actinide, and fission-products was calculated in the paper. The calculation was made using the ORIGEN-S from ORIGEN4.4a in conjunction with the activation-burnup library and an updated decay data library with clearance levels data in ORIGEN format produced by WIMS-AECL/SCALENEA-1 code system. Both the radioactivity concentration expressed in Curie and Becquerel, and the clearance index and ingestion / inhalation hazard were calculated for the radionuclides contained in 1 kg of irradiated fuel element at shutdown and for 1, 50, 1500 years cooling time. This study required a complex activity that consisted of various phases such us: the acquisition, setting up, validation and application of procedures, codes and libraries. For the validation phase of the study, the objective was to compare the measured inventories of selected actinide and fission products radionuclides in an element from a Pickering CANDU reactor with inventories predicted using a recent version of the ORIGEN-ARP from SCALE 5 coupled with the time dependent cross sections library, CANDU 28.lib, produced by the sequence SAS2H of SCALE 4.4a. In this way, the procedures, codes and libraries for the characterization of radioactive material in terms of radioactive inventories, clearance, and biological hazard factors are being qualified and validated, in support for the safety management of the radioactive wastes

  9. Elasticity and wave velocity in fcc iron (austenite) at elevated temperatures - Experimental verification of ab-initio calculations.

    Science.gov (United States)

    Hutchinson, Bevis; Malmström, Mikael; Lönnqvist, Johan; Bate, Pete; Ehteshami, Hossein; Korzhavyi, Pavel A

    2018-07-01

    High temperature crystal elasticity constants for face centred cubic austenite are important for interpreting the ultrasonic properties of iron and steels but cannot be determined by normal single crystal methods. Values of these constants have recently been calculated using an ab-initio approach and the present work was carried out to test their applicability using laser-ultrasonic measurements. Steel samples having a known texture were examined at temperatures between 800 °C and 1100 °C to measure the velocity of longitudinal P-waves which were found to be in good agreement with modelled values. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Solubility of unirradiated UO2 fuel in aqueous solutions. Comparison between experimental and calculated (EQ3/6) data

    International Nuclear Information System (INIS)

    Ollila, K.

    1995-11-01

    The solubility behaviour of unirradiated UO 2 pellets was studied under oxic (air-saturated) and anoxic (N 2 ) conditions in deionized water, in sodium bicarbonate solutions with varying bicarbonate content (60 - 600 ppm), in Allard groundwater simulating granitic fresh groundwater conditions, and in bentonite water simulating the effects of bentonite on granitic fresh groundwater (25 deg C). The release of uranium was measured during static batch dissolution experiments of long duration (2-6 years). A comparison was made with the theoretical solubility data calculated with the geochemical code EQ3/6 in order to evaluate solubility (steady state) limiting factors. (orig.) (26 refs., 32 figs., 13 tabs.)

  11. DFT calculation and experimental validation on the interactions of bis(trifluoromethylsulfonyl)imide and hexafluorophosphate with cesium

    Science.gov (United States)

    Sun, Taoxiang; Duan, Wuhua; Wang, Yaxing; Hu, Shaowen; Wang, Shuao; Chen, Jing; Shen, Xinghai

    2017-11-01

    Bis(trifluoromethylsulfonyl)imide (NTf2-) and hexafluorophosphate (PF6-) are the most frequently used anions for hydrophobic ionic liquids (ILs) which have been considered as promising solvents in the extraction of cesium ions. The interactions of NTf2- and PF6- with Cs+ were explored in this work. The results of DFT calculation indicated that both Cs+ and Cs(18C6)+ prefer to interact with two NTf2- or PF6- anions in gas phase, where 18C6 is 18-crown-6. The complex of Cs(NTf2)2- was observed in electrospray ionization mass spectrometry (ESI-MS), and the complexes of [Cs(18C6)NTf2]2 and [Cs(18C6)PF6]2 were crystallized in which Cs(18C6)+ interacted with two anions. The interactions of NTf2- with cesium resulted in a synergistic effect between dicyclohexano-18-crown-6 (DCH18C6) and NTf2- in the extraction of Cs+ using n-octanol as diluent. However, DFT calculation revealed that the complex Cs(DCH18C6)+ interacted with one NTf2- anion was more thermodynamically stable than that with two anions in organic phase, different from that in gas phase.

  12. Calculation of the weighting function and determination of the depth of correlation in micro-PIV from experimental particle images

    International Nuclear Information System (INIS)

    Hein, M; Seemann, R; Wieneke, B

    2014-01-01

    Micro-particle image velocimetry (µPIV) uses volume-illumination and imaging of particles through a single microscope objective. Displacement fields are obtained by image correlation and depend on all imaged particles, including defocused particles. The measured in-plane displacement is a weighted spatial average of the true displacement, with a weighting function W(z) that depends on the optical system and flow-gradients. The characteristic width of the weighting function W(z) is also referred to as depth of correlation (DOC) and is a measure up to which distance from the focal plane particles influence the measurement, which is crucial for the interpretation of measured flow fields. We present procedures to determine the W(z) from which the DOC can be derived and to directly determine the DOC from PIV double images, generated from experimentally recorded particle images. Both procedures provide comparable DOC results. Our approach allows determination of the DOC and W(z)as a function of out of plane gradients, optical setup parameters and PIV-analysis parameters. Experimental results for different objectives and particle sizes are discussed, revealing substantial deviations from theoretical predictions for high NA air-objectives. Moreover, using the determined weighting function W(z), the correction of measured flow profiles for errors introduced by the spatial averaging is demonstrated. (paper)

  13. Experimental and analytical studies for the validation of HTR-VGD and primary cell passive decay heat removal. Supplement. Calculations

    International Nuclear Information System (INIS)

    Geiss, M.; Giannikos, A.; Hejzlar, P.; Kneer, A.

    1993-04-01

    The alternative concept for a modular HTR-reactor design by Siempelkamp, Krefeld, using a prestressed cast iron vessel (VGD) combined with a cast iron/concrete module for the primary cell with integrated passive decay heat removal system was fully qualified with respect to operational and accidental thermal loads. The main emphasis was to confirm and validate the passive decay heat removal capability. An experimental facility (INWA) was designed, instrumented and operated with an appropriate electrical heating system simulating steady-state operational and transient accidental thermal loads. The experiments were accompanied by extensive computations concerning the combination of conductive, radiative and convective energy transport mechanisms in the different components of the VGD/primary cell structures, as well as elastic-plastic stress analyses of the VGD. In addition, a spectrum of potential alternatives for passive energy removed options have been parametrically examined. The experimental data clearly demonstrate that the proposed Siempelkamp-design is able to passively and safely remove the decay heat for operational and accidental conditions without invalidating technological important thermal limits. This also holds in case of failures of both the natural convection system and ultimate heat sink by outside concrete water film cooling. (orig./HP) [de

  14. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    1) The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2) Starting from this concept, we endeavoured to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3) Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author) [French] 1) La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2) A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3) Enfin une methode de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  15. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    1. The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2. Starting from this concept, we endeavored to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3. Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author)Fren. [French] 1. La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2. A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3. Enfin une mde de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  16. Covariances for neutron cross sections calculated using a regional model based on local-model fits to experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Smith, D.L.; Guenther, P.T.

    1983-11-01

    We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references.

  17. Energy coupling of nuclear bursts in and above the ocean surface: source region calculations and experimental validation

    International Nuclear Information System (INIS)

    Clarke, D.B.; Harben, P.E.; Rock, D.W.; White, J.W.; Piacsek, A.

    1997-01-01

    In support of the Comprehensive Test Ban, research is under way on the long range propagation of signals from nuclear explosions in deep underwater sound (SOFAR) channel. Initially our work at LLNL on signals in the source region considered explosions in or above deep ocean. We studied the variation of wave properties and source region energy coupling as a function of height or depth of burst. Initial calculations on the CALE hydrodynamics code were linked at a few hundred milliseconds to a version of NRL's weak code, NPE, which solves the nonlinear progressive wave equation. The simulation of the wave propagation was carried down to 5000 m depth and out to 10,000 m range. We have completed ten such simulations at a variety of heights and depths below the ocean surface

  18. Experimental data of global and diffuse luminous efficacy on vertical surfaces at Arcavacata di Rende and comparisons with calculation models

    International Nuclear Information System (INIS)

    Cucumo, M.; De Rosa, A.; Ferraro, V.; Kaliakatsos, D.; Marinelli, V.

    2009-01-01

    Measurements of natural global and diffuse illuminance on four vertical surfaces exposed to north, east, south and west have been carried out at Arcavacata di Rende (Italy). In the work the mean hourly values of the global and diffuse luminous efficacy measured in the period of a year are presented. The hourly data have been compared with the predictions of many calculation models. The comparisons show that, for global efficacy, the differences among the various models are not significant, and the use of a model with a constant value of efficacy gives good predictions of global illuminance. For the prediction of diffuse illuminance the different models behave in a similar way if their coefficients are recalculated and, again, the use of a constant diffuse efficacy provides a good estimate of diffuse illuminance on vertical surfaces

  19. Covariances for neutron cross sections calculated using a regional model based on local-model fits to experimental data

    International Nuclear Information System (INIS)

    Smith, D.L.; Guenther, P.T.

    1983-11-01

    We suggest a procedure for estimating uncertainties in neutron cross sections calculated with a nuclear model descriptive of a specific mass region. It applies standard error propagation techniques, using a model-parameter covariance matrix. Generally, available codes do not generate covariance information in conjunction with their fitting algorithms. Therefore, we resort to estimating a relative covariance matrix a posteriori from a statistical examination of the scatter of elemental parameter values about the regional representation. We numerically demonstrate our method by considering an optical-statistical model analysis of a body of total and elastic scattering data for the light fission-fragment mass region. In this example, strong uncertainty correlations emerge and they conspire to reduce estimated errors to some 50% of those obtained from a naive uncorrelated summation in quadrature. 37 references

  20. Investigations on the growth kinetics of Laves phase precipitates in 12% Cr creep-resistant steels: Experimental and DICTRA calculations

    International Nuclear Information System (INIS)

    Prat, O.; Garcia, J.; Rojas, D.; Carrasco, C.; Inden, G.

    2010-01-01

    The growth kinetics of Laves phase precipitates (type Fe 2 W) in the early stage of creep (650 deg. C for 10,000 h) in two 12% Cr ferrite-martensitic steels has been investigated. In one alloy the Laves phase formed on tempering, while in the second alloy the Laves phase precipitated during creep. Kinetic simulations were performed using the software DICTRA. The particle size of the Laves phase was measured on transmission electron microscopy samples. The equilibrium phase fraction of the Laves phase was reached in the first thousand hours. Simulations of particle growth showed good agreement with the experimental results. Competitive growth between M 23 C 6 and the Laves phase showed that M 23 C 6 carbides reached their equilibrium after 12 days, whereas the Laves phase reached equilibrium after 3 months. Simulations of the influence of the interfacial energy and addition of Co, Cu and Si on Laves phase precipitation are presented.

  1. Experimental data and calculation studies of critical heat fluxes at local disturbances of geometry of WWER fuel assemblies

    International Nuclear Information System (INIS)

    Kobzar, L.L.; Oleksyuk, D.A.

    2001-01-01

    The results of experiments executed in RRC 'Kurchatov Institute on the thermal-physical critical facility SVD are presented herein. The experiments modeled the drawing of two fuel rods to each other till touching WWER-1000 reactor in FA. The experimental model is a 7-rod bundle with the heated length of 1 m. The primary goal of experiments was to acquire the quantitative factors of the reduction in the critical heat fluxes as contrasted to the basic model (without disturbances of FA geometry) at the expense of local disturbance of a rod bundle geometry. As it follows from the experiment, the effect of decrease of the critical heat rate depends on combination of regime parameters and it makes 15% in the most unfavorable case (Authors)

  2. Animal mortality resulting from uniform exposures to photon radiations: Calculated LD50s and a compilation of experimental data

    International Nuclear Information System (INIS)

    Jones, T.D.; Morris, M.D.; Wells, S.M.; Young, R.W.

    1986-12-01

    Studies conducted during the 1950s and 1960s of radiation-induced mortality to diverse animal species under various exposure protocols were compiled into a mortality data base. Some 24 variables were extracted and recomputed from each of the published studies, which were collected from a variety of available sources, primarily journal articles. Two features of this compilation effort are (1) an attempt to give an estimate of the uniform dose received by the bone marrow in each treatment so that interspecies differences due to body size were minimized and (2) a recomputation of the LD 50 where sufficient experimental data are available. Exposure rates varied in magnitude from about 10 -2 to 10 3 R/min. This report describes the data base, the sources of data, and the data-handling techniques; presents a bibliography of studies compiled; and tabulates data from each study. 103 refs., 44 tabs

  3. Radiation induced currents in mineral-insulated cables and in pick-up coils: model calculations and experimental verification in the BR1 reactor

    Science.gov (United States)

    Vermeeren, Ludo; Leysen, Willem; Brichard, Benoit

    2018-01-01

    Mineral-insulated (MI) cables and Low-Temperature Co-fired Ceramic (LTCC) magnetic pick-up coils are intended to be installed in various position in ITER. The severe ITER nuclear radiation field is expected to lead to induced currents that could perturb diagnostic measurements. In order to assess this problem and to find mitigation strategies models were developed for the calculation of neutron-and gamma-induced currents in MI cables and in LTCC coils. The models are based on calculations with the MCNPX code, combined with a dedicated model for the drift of electrons stopped in the insulator. The gamma induced currents can be easily calculated with a single coupled photon-electron MCNPX calculation. The prompt neutron induced currents requires only a single coupled neutron-photon-electron MCNPX run. The various delayed neutron contributions require a careful analysis of all possibly relevant neutron-induced reaction paths and a combination of different types of MCNPX calculations. The models were applied for a specific twin-core copper MI cable, for one quad-core copper cable and for silver conductor LTCC coils (one with silver ground plates in order to reduce the currents and one without such silver ground plates). Calculations were performed for irradiation conditions (neutron and gamma spectra and fluxes) in relevant positions in ITER and in the Y3 irradiation channel of the BR1 reactor at SCK•CEN, in which an irradiation test of these four test devices was carried out afterwards. We will present the basic elements of the models and show the results of all relevant partial currents (gamma and neutron induced, prompt and various delayed currents) in BR1-Y3 conditions. Experimental data will be shown and analysed in terms of the respective contributions. The tests were performed at reactor powers of 350 kW and 1 MW, leading to thermal neutron fluxes of 1E11 n/cm2s and 3E11 n/cm2s, respectively. The corresponding total radiation induced currents are ranging from

  4. Experimental measurements and nuclear model calculations on the excitation functions of $^{nat}Ce(^{3}He, xn)$ and $^{141}$therapeutic radionuclide $^{140}$Nd

    CERN Document Server

    Hilgers, K; Coenen, H H; Qaim, S M

    2005-01-01

    For production of the therapy related Auger electron emitting neutron deficient nuclide /sup 140/Nd (T/sub fraction 1/2/=3.37d) two routes were investigated: the nuclear reaction range from 15 to 36 MeV and the reaction /sup 141/Pr(p,2n)/sup 140isotopes, namely /sup 139/Nd and /sup 141/Nd, as well as to cerium(IV)-oxide and praseodymium (III)-oxide were obtained by sedimentation and the conventional stacked-foil technique was used for cross section measurements. All the experimental data obtained in this work were compared with the results of theoretical calculations using the exciton model code ALICE-IPPE as well as with literature experimental data, if available. In general, good agreement between experimental and theoretical results was found. The theoretical thick target yields of all the product nuclides were calculated from the measured excitation functions. The theoretical thick target yield of amounts to 12 MBq/mu Acenterdoth and over the energy range E/sub p/=30rightward arrow15 Me V to 210 MBq/mu; A...

  5. Experimental and semi-empirical and DFT calculational studies on (E)-2-((2-morpholinoethyliminio)methyl)-4-nitrophenolate

    International Nuclear Information System (INIS)

    Alpaslan, Y. B.; Agar, E.; Ersahin, F.; Iskeleli, N. O.; Oeztekin, E.

    2010-01-01

    The molecular and crystal structure of the title compound, C 1 3H 1 7N 3 O 4 , has been determined by X-ray single crystal diffraction technique. The compound crystallizes in the triclinic, space group P-1 with unit cell dimensions a=5.3520(4), b=10.9011(8), c=12.4537(9)A 0 , Mr=279.30, V=675.91(9)A 03 , Z=2, R1=0.037 and wR 2 =0.097. The molecule adopts a zwitterionic form, stabilized by an intramolecular N + -H 2 O- type ionic weak hydrogen bond. The molecule pack via intermolecular N-H 2 O hydrogen bonds which, together with an intramolecular N + -H 2 O- bond. Calculational studies were performed by using AM1, PM3, semi-empirical and DFT methods. Geometry optimizations of compound have been carried out by using three semi-empirical methods and DFT method and bond lengths, bond and torsion angles of title compound have been determined. Atomic charge distribution have been obtained from DFT. In order to determine conformational flexibility on the molecule, molecular energy profile of the title compound was obtained with respect to the selected torsion angle T(C2-C1-C7-N1), which is varied from -180 0 degree to +180 0 degree in every 10 via PM3 semi-empirical method.

  6. Theoretical Calculation and Experimental Verification Demonstrated the Impossibility of Finding Haptens Identifying Triphenylmethane Dyes and Their Leuco Metabolites Simultaneously

    Directory of Open Access Journals (Sweden)

    De-Xin Kong

    2018-03-01

    Full Text Available Detection of triphenylmethane dyes (TDs, especially the widely used malachite green (MG and crystal violet (CV, plays an important role in safety control of aquatic products. There are two chromatic forms of TDs: oxidized or reduced. Usually, only one form can be detected by reported ELISA antibodies. In this article, molecular shape superimposing and quantum mechanics calculation were employed to elucidate the differences between MG, CV, and their reduced chromatic forms (leucomalachite green, LMG and leucocrystal violet, LCV. A potential hapten was rationally designed and synthesized. Polyclonal antibodies were raised through immunizing New Zealand white rabbits and BALB/C mice. We tested the cross-reactivity ratios between the hapten and TDs. The cross-reactivity ratios were correlated with the difference in surface electrostatic potential. The determination coefficients (r2 of the correlations are 0.901 and 0.813 for the rabbit and mouse antibody, respectively. According to this linear model, the significant difference in the atomic charge seemed to make it impossible to find a hapten that can produce antibodies with good cross-reactivities with both reduced and oxidized TDs.

  7. 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

  8. Experimental tests and validation of calculation criteria of acceptable Tk shift with respect to PTS at VVER

    International Nuclear Information System (INIS)

    Hosnedl, P.; Roubalova, M.; Sik, J.; Priban, M.; Hora, P.; Vales, F.

    2004-01-01

    The following topics were examined: (i) Methodology of fracture tests at temperature gradients and pressurized thermal shock (PTS) cooling tests on large specimens (1500x1200x140 mm) with a designed postulated crack and other smaller cracks in the cooled area (test performed on a ZZ 8000 (80MN) loading stand); (ii) simulation of radiation embrittlement of tested material near the end of the RPV designed life, the material is subjected to standard mechanical property tests and fracture tests of standard test specimens modelling the PTS regime of material loading; (iii) 100% NDT tests of a specimen before the beginning of tests and μTOFD before and after each particular test of a specimen; (iv) on-line monitoring of the test conditions based on instrumentation of a specimen with thermocouples, COD and strain gauges together with on-line monitoring of Acoustic Emission during the tests; (v) calculation of K l at the critical points of the crack front during the test, based on monitored boundary conditions; (vi) fractographic analysis after the fracture of a specimen and evaluation of the whole test. (P.A.)

  9. Investigations on the growth kinetics of Laves phase precipitates in 12% Cr creep-resistant steels: Experimental and DICTRA calculations

    Energy Technology Data Exchange (ETDEWEB)

    Prat, O. [Max Planck Institute fuer Eisenforschung GmbH, Max Planck Strasse 1, 40237 Duesseldorf (Germany)] [Universidad de Concepcion, Departamento de Ingenieria de Materiales, Edmundo Larenas 270, Concepcion (Chile); Garcia, J., E-mail: jose.garcia@helmholtz-berlin.de [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Rojas, D. [Max Planck Institute fuer Eisenforschung GmbH, Max Planck Strasse 1, 40237 Duesseldorf (Germany); Carrasco, C. [Universidad de Concepcion, Departamento de Ingenieria de Materiales, Edmundo Larenas 270, Concepcion (Chile); Inden, G. [Max Planck Institute fuer Eisenforschung GmbH, Max Planck Strasse 1, 40237 Duesseldorf (Germany)

    2010-10-15

    The growth kinetics of Laves phase precipitates (type Fe{sub 2}W) in the early stage of creep (650 deg. C for 10,000 h) in two 12% Cr ferrite-martensitic steels has been investigated. In one alloy the Laves phase formed on tempering, while in the second alloy the Laves phase precipitated during creep. Kinetic simulations were performed using the software DICTRA. The particle size of the Laves phase was measured on transmission electron microscopy samples. The equilibrium phase fraction of the Laves phase was reached in the first thousand hours. Simulations of particle growth showed good agreement with the experimental results. Competitive growth between M{sub 23}C{sub 6} and the Laves phase showed that M{sub 23}C{sub 6} carbides reached their equilibrium after 12 days, whereas the Laves phase reached equilibrium after 3 months. Simulations of the influence of the interfacial energy and addition of Co, Cu and Si on Laves phase precipitation are presented.

  10. Experimental and semi-empirical and DFT calculational studies on (e)-2-(1-(2-(4-methylphenylsulfonamido) ethyliminio) ethyl) phenolate

    International Nuclear Information System (INIS)

    Alpaslan, G.; Agar, E.; Ersahin, F.; Isik, S.; Erdoenmez, A.

    2010-01-01

    The molecular and crystal structure of the title compound, C 1 7H 2 0N 2 O 3 S, has been determined by X-ray single crystal diffraction technique. The compound crystallizes in the monoclinic, space group P2 1 /n with unit cell dimensions a=11.4472(6), b=11.1176(4), c=13.4873(7)A 0 , M r =332.41, V=1639.36(13)A 03 , Z=4, R 1 =0.034 and wR 2 =0.097. The molecule adopts a zwitterionic form, stabilized by an intramolecular N + -H 2 O - type ionic weak hydrogen bond. The molecule pack via intermolecular N-H 2 O hydrogen bonds which, together with an intramolecular N + -H 2 O - bond, form an S(6)R 2 4 (4)S(6) motif. Calculational studies were performed by using AM1, PM3 semi-empirical and DFT methods. Geometry optimizations of compound have been carried out by using three semi-empirical methods and DFT method and bond lengths, bond and torsion angles of title compound have been determined. Atomic charge distribution have been obtained from AM1, PM3 and DFT. In order to determine conformational flexibility on the molecule, molecular energy profile of the title compound was obtained with respect to the selected torsion angle T(N1-C9-C10-N2), which is varied from -180 degrees to +180 degrees in every 10 via PM3 semi-empirical method.

  11. Calculating of Dose Distribution in Tongue Brachytherapy by Different Radioisotopes using Monte Carlo Simulation and Comparing by Experimental Data

    Directory of Open Access Journals (Sweden)

    Banafsheh Zeinali Rafsanjani

    2011-06-01

    Full Text Available Introduction: Among different kinds of oral cavity cancers, the frequency of tongue cancer occurrence is more significant. Brachytherapy is the most common method to cure tongue cancers. Long sources are used in different techniques of tongue brachytherapy. The objective of this study is to asses the dose distribution around long sources, comparing different radioisotopes as brachytherapy sources, measuring the homogeneity of delivered dose to treatment volume and also comparing mandible dose and dose of tongue in the regions near the mandible with and without using shield. Material and Method: The Monte Carlo code MCNP4C was used for simulation. The accuracy of simulation was verified by comparing the results with experimental data. The sources like Ir-192, Cs-137, Ra-226, Au-198, In-111 and Ba-131 were simulated and the position of sources was determined by Paris system. Results: The percentage of mandible dose reduction with use of 2 mm Pb shield for the sources mentioned above were: 35.4%, 20.1%, 86.6%, 32.24%, 75.6%, and 36.8%. The tongue dose near the mandible with use of shied did not change significantly. The dose homogeneity from the most to least was obtained from these sources: Cs-137, Au-198, Ir-192, Ba-131, In-111 and Ra-226. Discussion and Conclusion: Ir-192 and Cs-137 were the best sources for tongue brachytherapy treatment but In-111 and Ra-226 were not suitable choices for tongue brachytherapy. The sources like Au-198 and Ba-131 had rather the same performance as Ir-192

  12. Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

    Science.gov (United States)

    Sinha, Leena; Karabacak, Mehmet; Narayan, V.; Cinar, Mehmet; Prasad, Onkar

    2013-05-01

    Gabapentin (GP), structurally related to the neurotransmitter GABA (gamma-aminobutyric acid), mimics the activity of GABA and is also widely used in neurology for the treatment of peripheral neuropathic pain. It exists in zwitterionic form in solid state. The present communication deals with the quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of GP using density functional (DFT/B3LYP) method with 6-311++G(d,p) basis set. In view of the fact that amino acids exist as zwitterions as well as in the neutral form depending on the environment (solvent, pH, etc.), molecular properties of both the zwitterionic and neutral form of GP have been analyzed. The fundamental vibrational wavenumbers as well as their intensities were calculated and compared with experimental FT-IR and FT-Raman spectra. The fundamental assignments were done on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. The electric dipole moment, polarizability and the first hyperpolarizability values of the GP have been calculated at the same level of theory and basis set. The nonlinear optical (NLO) behavior of zwitterionic and neutral form has been compared. Stability of the molecule arising from hyper-conjugative interactions and charge delocalization has been analyzed using natural bond orbital analysis. Ultraviolet-visible (UV-Vis) spectrum of the title molecule has also been calculated using TD-DFT method. The thermodynamic properties of both the zwitterionic and neutral form of GP at different temperatures have been calculated.

  13. Ab-initio calculation and experimental observation of room temperature ferromagnetism in 50 keV nitrogen implanted rutile TiO2

    Science.gov (United States)

    Luitel, Homnath; Chakrabarti, Mahuya; Sarkar, A.; Dechoudhury, S.; Bhowmick, D.; Naik, V.; Sanyal, D.

    2018-02-01

    Room temperature magnetic properties of 50 keV N4+ ion beam implanted rutile TiO2 have been theoretically and experimentally studied. Ab-initio calculation under the frame work of density functional theory has been carried out to study the magnetic properties of the different possible nitrogen related defects in TiO2. Spin polarized density of states calculation suggests that both Ninst and NO can induce ferromagnetic ordering in rutile TiO2. In both cases the 2p orbital electrons of nitrogen atom give rise to the magnetic moment in TiO2. The possibility of the formation of N2 molecule in TiO2 system is also studied but in this case no significant magnetic moment has been observed. The magnetic measurements, using SQUID magnetometer, results a ferromagnetic ordering even at room temperature for the 50 keV N4+ ion beam implanted rutile TiO2.

  14. Experimental and Calculated Effectiveness of a Radiochromic Dye Film to Stopping 21 MeV 7Li- and 64 MeV 16O Ions

    DEFF Research Database (Denmark)

    Olsen, Kjeld J; Hansen, Johnny

    1984-01-01

    Relative radiation effectiveness, RE, of 21 MeV 7Li and 64 MeV 16O ions being completely stopped in a tissue equivalent film dose meter has been measured as a function of penetration depth and energy, and the results have been compared with calculations based on a δ-ray theory for heavy charged...... particles developed by Katz et al. The experiment was designed to test calculations particularly in the Bragg-peak region of the slowing down particles where significant deviation between theory and experiment was found. Fitting of the characteristic D37 dose and the size of the radiation sensitive element...... in the detector, which are important parameters in the theoretical model, does not improve the overall correlation between theory and experiment. It is concluded that disagreement between theoretical and experimental RE-values below 1.5 MeV/amu is partly due to lack of equivalence between the δ-ray spectrum...

  15. 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.

  16. Experimental Research and Method for Calculation of 'Upsetting-with-Buckling' Load at the Impression-Free (Dieless Preforming of Workpiece

    Directory of Open Access Journals (Sweden)

    Kukhar Volodymir

    2018-01-01

    Full Text Available This paper presents the results of experimental studies of load characteristic changes during the upsetting of high billets with the upsetting ratio (height to diameter ratio from 3.0 to 6.0, which is followed by buckling. Such pass is an effective way of preforming the workpiece for production of forgings with a bended axis or dual forming, and belongs to impression-free (dieless operation of bulk forming. Based on the experimental data analysis, an engineering method for calculation of workpiece pre-forming load as a maximum buckling force has been developed. The analysis of the obtained data confirmed the possibility of performing of this pre-forming operation on the main forging equipment, since the load of shaping by buckling does not exceed the load of the dieforging.

  17. Experimental Research and Method for Calculation of 'Upsetting-with-Buckling' Load at the Impression-Free (Dieless) Preforming of Workpiece

    Science.gov (United States)

    Kukhar, Volodymir; Artiukh, Victor; Prysiazhnyi, Andrii; Pustovgar, Andrey

    2018-03-01

    This paper presents the results of experimental studies of load characteristic changes during the upsetting of high billets with the upsetting ratio (height to diameter ratio) from 3.0 to 6.0, which is followed by buckling. Such pass is an effective way of preforming the workpiece for production of forgings with a bended axis or dual forming, and belongs to impression-free (dieless) operation of bulk forming. Based on the experimental data analysis, an engineering method for calculation of workpiece pre-forming load as a maximum buckling force has been developed. The analysis of the obtained data confirmed the possibility of performing of this pre-forming operation on the main forging equipment, since the load of shaping by buckling does not exceed the load of the dieforging.

  18. Experimental verification of methods for gamma dose rate calculations in the vicinity of containers with the RA reactor spent fuel elements

    International Nuclear Information System (INIS)

    Milosevic, M.; Cupac, S.; Pesic, M.

    2005-01-01

    The methodology for equivalent gamma dose rate determination on the outer surface of existing containers with the spent fuel elements of the RA reactor is briefly summarised, and experimental verification of this methodology in the field of gamma rays near the aluminium channel with spent fuel elements lifted from the stainless steel containers no. 275 in the RA reactor hall is presented. The proposed methodology is founded on: the existing fuel burnup data base; methods and models for the photon source determination in the RA reactor spent fuel elements developed in the Vinca Institute, and validated Monte Carlo codes for the equivalent gamma dose rate calculations. (author) [sr

  19. Containment Evaluation under Severe Accidents (CESA): synthesis of the predictive calculations and analysis of the first experimental results obtained on the Civaux mock-up

    International Nuclear Information System (INIS)

    Granger, L.; Rieg, C.Y.; Touret, J.P.; Fleury, F.; Nahas, G.; Danisch, R.; Brusa, L.; Millard, A.; Laborderie, C.; Ulm, F.; Contri, P.; Schimmelpfennig, K.; Barre, F.; Firnhaber, M.; Gauvain, J; Coulon, N.; Dutton, L.M.C.; Tuson, A.

    2001-01-01

    In 1996, EDF decided to build a containment model at the scale 1:3, the MAEVA mock-up, in order to check and study the behaviour of a pre-stressed concrete containment vessel without a liner in terms of mechanical strength and leaktightness, for loadings corresponding to its design and beyond design conditions. In parallel with the construction and testing of the mock-up, a cost-shared R and D action supported by the European Union, the CESA project, is dealing with quantification of leak rates through concrete cracks and porosity, predictive calculations of the behaviour of the mock-up and analysis of the experimental results. In this paper, we propose a synthesis of the main theoretical and experimental results, obtained after 2.5 years. It should however be noted that, due to some unexpected delays in the experimental programme, quite natural with such a huge and unique experimental set-up, only the design-basis accident sequences, already performed, have been reported in this paper. The first results are nevertheless very interesting, both from a scientific and nuclear utility point of view

  20. Experimental and calculation results of the integral reflood test QUENCH-14 with M5 (registered) cladding tubes

    International Nuclear Information System (INIS)

    Stuckert, J.; Birchley, J.; Grosse, M.; Jaeckel, B.; Steinbrueck, M.

    2010-01-01

    The QUENCH-14 experiment investigated the effect of M5 (registered) cladding material on bundle oxidation and core reflood, in comparison with tests QUENCH-06 (ISP-45) that used standard Zircaloy-4 and QUENCH-12 that used VVER E110-claddings. The PWR bundle configuration of QUENCH-14 with a single unheated rod, 20 heated rods, and four corner rods was otherwise identical to QUENCH-06. The test was conducted in principle with the same protocol as QUENCH-06, so that the effects of the change of cladding material could be observed more easily. Pre-test calculations were performed by the Paul Scherrer Institut (Switzerland) using the SCDAPSIM, SCDAP/RELAP5 and MELCOR codes. Follow-on post-test analyses were performed using SCDAP/RELAP5 and MELCOR as part of an ongoing programme of model validation and code assessment. Alternative oxidation correlations were used to examine the possible influence of the M5 (registered) cladding material on hydrogen generation, in comparison with Zircaloy-4. The experiment started with a pre-oxidation phase in steam, lasting ∼3000 s at ∼1500 K peak bundle temperature. After a further temperature increase to maximum bundle temperature of 2073 K the bundle was flooded with 2 g/s/rod water from the bottom. The peak temperature of ∼2300 K was measured on the bundle shroud, shortly after quench initiation. The electrical power was reduced to average value of 2 W/cm during the reflood phase to simulate effective decay heat level. Complete bundle cooling was reached in 300 s after reflood initiation. The development of the oxide layer growth during the test was essentially defined by measurements performed on the three Zircaloy-4 corner rods withdrawn successively from the bundle. The withdrawal of Zircaloy-4 and E110 corner rods after the test allowed a comparison of the different alloys in one test. One heated rod with M5 cladding was withdrawn after the test for a detailed analysis of oxidation degree and measurement of absorbed

  1. Experimental validation of the decay power calculation code and nuclear databases - FISPACT-97 and EAF-97 and FENDL/A-2.0

    International Nuclear Information System (INIS)

    Sublet, J.

    1998-01-01

    The calculation of activation inventories is a key input to virtually all aspects of the safety and environmental assessment of fusion power devices, such as ITER. For the licensing of such devices, regulatory authorities will require proof that the calculations of activation, and calculations to which activation quantities are inputs, are either correct or conservative. An important aspect of activation is decay heat power. In fusion power plants, decay power arises after shutdown from the energy released in the decay of the products of neutron activation, mainly from gamma and beta rays. Computation of the decay power is performed by sophisticated computer codes which solve the large number of coupled differential equations which govern the generation and decay chains for the many nuclides involved. They rely on a large volume of nuclear data, both neutron activation cross-sections and radioactive decay data. Validation of decay power code predictions by means of direct comparison with integral data measurements of sample structural materials under fusion-typical neutron spectra generates confidence in the decay power values calculated. It also permits an assessment of the adequacy of the methods and nuclear data and indicates any inaccuracy or omission that may have led to erroneous results. No experimental data on decay power existed for fusion reactor structural materials and irradiation conditions before a series of experiments were performed using the Fusion Neutron Source FNS facility at the Japan Atomic Energy Research Institute JAERI. Fusion relevant material samples were irradiated in a simulated D-T neutron field for times up to 7 hours and the decay power so generated measured for cooling times up to three months. Using the highly sensitive Whole Energy Absorption Spectrometer (WEAS) method, both β and γ rays decay energies were measured at selected cooling times as early as one minute after the irradiation ended. Coupled to the experiments, and at

  2. CALCULATION-EXPERIMENTAL METHOD OF RESEARCH IN A METALLIC CONDUCTOR WITH THE PULSE CURRENT OF ELECTRONIC WAVEPACKAGES AND DE BROGLIE ELECTRONIC HALF-WAVES

    Directory of Open Access Journals (Sweden)

    M. I. Baranov

    2016-12-01

    Full Text Available Purpose. Development of calculation-experimental method for a discovery and study of electronic wavepackages (EWP and of de Broglie electronic half-waves in a metallic conductor with the pulse axial-flow current of high density. Methodology. Theoretical bases of the electrical engineering, bases of quantum physics, electrophysics bases of technique of high voltage and large pulsecurrents, and also bases of technique of measuring of permanent and variable electric value. Results. On the basis of generalization of results of research of features of the longitudinal wave periodic distributing of negatively charged transmitters of electric current of conductivity in the thin round continuous zincked steel wire offered and approved in the conditions of high-voltage laboratory method for a discovery and direct determination in him of geometrical parameters of «hot» and «cold» longitudinal areas quantized periodic longitudinal EWP and accordingly the mediated determination of values of the quantized lengths formative their de Broglie electronic half-waves. It is shown that results of close quantum mechanical calculations of EWP and quantized lengths λenz/2 of longitudinal de Broglie half-waves for the probed wire long l0 well comport with the results of the executed high temperature experiments on the powerful high-voltage generator of homopolar large pulse current of millisecond duration. Originality. First calculation-experimental a way the important for the theory of electricity fact of existence is set in a round metallic explorer with the impulsive axial-flow current of the quantized coherent de Broglie electronic half-waves, amplitudes of which at the quantum number of n=1,3,9 correspond the middles of «hot» longitudinal areas of EWP. Calculation quantum mechanical correlation of type of λenz/2=l0/n got experimental confirmation, in obedience to which on length of l0 conductor the integer of quantized electronic half-waves is always laid

  3. Methodological developments and qualification of calculation schemes for the modelling of photonic heating in the experimental devices of the future Jules Horowitz material testing reactor (RJH)

    International Nuclear Information System (INIS)

    Blanchet, D.

    2006-01-01

    The objective of this work is to develop the modelling of the nuclear heating of the experimental devices of the future Jules Horowitz material testing reactor (RJH). The strong specific nuclear power produced (460 kW/l), induces so intense photonic fluxes which cause heating and large temperature gradients that it is necessary to control it by an adequate design. However, calculations of heating are penalized by the very large uncertainties estimated at a value of about 30% (2*σ) coming from the gaps and uncertainties of the data of gamma emission present in the libraries of basic nuclear data. The experimental program ADAPh aims at reducing these uncertainties. Measurements by thermoluminescent detectors (TLD) and ionisation chambers are carried out in the critical assemblies EOLE (Mox) and Minerve (UO 2 ). The rigorous interpretation of these measurements requires specific developments based on Monte-Carlo simulations of coupled neutron-gamma and gamma-electron transport. The developments carried out are made different in particular by the modelling of cavities phenomena and delayed gamma emissions by the decay of fission products. The comparisons calculation-measurement made it possible to identify a systematic bias confirming a tendency of calculations to underestimate measurements. A Bayesian method of adjustment was developed in order to re-estimate the principal components of the gamma heating and to transpose the results obtained to the devices of the RJH, under conditions clearly and definitely representative. This work made possible to reduce significantly the uncertainties on the determination of the gamma heating from 30 to 15 per cent. (author)

  4. Experimental study of angular neutron flux spectra on a slab surface to assess nuclear data and calculational methods for a fusion reactor design

    International Nuclear Information System (INIS)

    Oyama, Yukio

    1988-06-01

    This paper presents an experimental approach to interpret the results of integral experiments for fusion neutronics research. The measurement is described of the angular neutron flux on a restricted area of slab assemblies with D-T neutron bombardment by using the time-of-flight (TOF) method with an NE213 neutron detector over an energy range from 0.05 to 15 MeV. A two bias scheme was developed to obtain an accurate detection efficiency over a wide energy range. The detector-collimator response function was introduced to define the restricted surface area and to determine the effective measured area. A series of measurements of the angular neutron flux on slabs of fusion blanket materials, i.e., Be, C, and Li 2 O, as functions of neutron leaking angle and slab thickness have been performed to examine neutron transport characteristics in bulk materials. The calculational analyses of the experimental results have been also carried out by using Monte Carlo neutron transport codes, i.e., MORSE-DD and MCNP. The existing nuclear data files, i.e., JENDL-3PR1, -3PR2, ENDF/B-IV and -V were tested by comparing with the experimental results. From the comparisons, the data on C and 7 Li in the present files are fairly sufficient. Those on beryllium, however, is insufficient for the estimation of high threshold reactions such as tritium production in a fusion reactor blanket design. It is also found that the total and elastic cross sections are more important for accurate predictions of neutronic parameters at deep position. The comparisons between the measured and calculated results provide information to understand the results of the previous integral experiments for confirmation of accuracy of fusion reactor designs. (author)

  5. Experimental and calculated effectiveness of a radiochromic dye film to stopping 21 MeV 7Li and 64 MeV 16O ions

    International Nuclear Information System (INIS)

    Olsen, K.J.; Hansen, J.W.

    1984-01-01

    Relative radiation effectiveness, RE, of 21 MeV 7 Li and 64 MeV 16 O ions being completely stopped in a tissue equivalent film dose meter has been measured as a function of penetration depth and energy, and the results have been compared with calculations based on a delta-ray theory for heavy charged particles developed by Katz et al. The experiment was designed to test calculations particularly in the Bragg-peak region of the slowing down particles where significant deviation between theory and experiment was found. Fitting of the characteristic D 37 dose and the size of the radiation sensitive element in the detector, which are important parameters in the theoretical model, does not improve the overall correlation between theory and experiment. It is concluded that disagreement between theoretical and experimental RE-values below 1.5 MeV/amu is partly due to lack of equivalence between the delta-ray spectrum and the slowing down spectrum of electrons from low-LET radiation, and partly from approximations in the calculated distribution of energy deposition of the delta-rays. (orig.)

  6. Experimental ratio between the 'real' dose per organ and the calculated dose determined by means of the Embalse nuclear power plant's personal dosimeter

    International Nuclear Information System (INIS)

    Thomasz, E.; Salas, C.A.

    1987-01-01

    The specific purpose of the study was to determine the experimental ratio between the reading of dosimeters used by the personnel of the Embalse nuclear power plant and the 'real' dose absorbed by the worker in different organs. An anthropomorphic phantom ALDERSON internal and externally loaded with approximately 150 TLD crystals was used. This phantom was placed in five enclosures that were usually occupied by workers of the Embalse nuclear power plant. In this way, the average dose per organ and the effective equivalent dosis in each enclosure could be calculated and compared with the personal dosimeters placed over the thorax and the conversion factor rem/rem for each enclosure was determined. The average factor resulting from the five considered enclosures was 0.73 rem/rem. This means that the personal dosimeters over value the real dosis absorbed by the personnel of the Embalse nuclear power plant in approximately 37%. (Author)

  7. Experimental verification of reflector savings calculated by REDIR code using two-group method; Eksperimentalna provera dvogrupnog racunanja reflektorske ustede koriscenog u REDIR-u

    Energy Technology Data Exchange (ETDEWEB)

    Sotic, O; Martinc, R [Boris Kidric Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)

    1968-12-15

    Radial buckling and reflector savings for heavy water reactor with 2% enriched uranium fuel were measured and calculated by the REDIR code. A comparison of the obtained values is presented in this paper dependent on the reactor lattice pitch and reflector thickness. Experimental results obtained for lattice pitch of 16 cm prove the validity of applying the REDIR code for power reactors. U radu je dato uporedjenje izmedju izmerenih i teorijski izracunatih vrednosti (prema programu REDIR) radijalnih baklinga i reflektorske ustede za teskovodni reaktorski sistem sa 2% obogacenim uranskim gorivom u zavisnosti od koraka resetke i debljine reflektora. Rezultati dobijeni eksperimentima pri koraku resetke od 16 cm potvdjuju ispravnost primene programa REDIR za energetske reaktore. (author)

  8. CARS spectroscopy of the NaH2 collision complex: The nature of the Na(3 2P)H2 exciplex - ab initio calculations and experimental results

    International Nuclear Information System (INIS)

    Vivie-Riedle, R. de; Hering, P.; Kompa, K.L.

    1990-01-01

    CARS has been used to analyze the rovibronic state distribution of H 2 after collision with Na(3 2 P). New lines, which do not correspond to H 2 lines are observed in the CARS spectrum. The experiments point to the formation of a complex of Na(3 2 P)H 2 in A 2 B 2 symmetry. Ab initio calculations of the A 2 B 2 potential were performed. On this surface the vibrational spectra of the exciplex is evaluated. The observed lines can be attributed to vibrational transitions in the complex, in which combinational modes are involved. The connection of experimental and theoretical results indicates that a collisionally stabilized exciplex molecule is formed during the quenching process. (orig.)

  9. Experimental study and nuclear model calculations on the $^{192}Os (p, n)^{192}$Ir reaction Comparison of reactor and cyclotron production of the therapeutic radionuclide $^{192}$Ir

    CERN Document Server

    Hilgers, K; Sudar, S; 10.1016/j.apradiso.2004.12.010

    2005-01-01

    In a search for an alternative route of production of the important therapeutic radionuclide /sup 192/Ir (T/sub 1/2/=78.83 d), the excitation function of the reaction /sup 192/Os(p, n)/sup 192/Ir was investigated from its threshold up to 20MeV. Thin samples of enriched /sup 192/Os were obtained by electrodeposition on Ni, and the conventional stacked-foil technique was used for cross section measurements. The experimental data were compared with the results of theoretical calculations using the codes EMPIRE-II and ALICE-IPPE. Good agreement was found with EMPIRE-II, but slightly less with the ALICE-IPPE calculations. The theoretical thick target yield of /sup 192/Ir over the energy range E/sub p/=16 to 8MeV amounts to only 0.16MBq/ mu A.h. A comparison of the reactor and cyclotron production methods is given. In terms of yield and radionuclidic purity of /sup 192/Ir the reactor method appears to be superior; the only advantage of the cyclotron method could be the higher specific activity of the product.

  10. Comparison of Atmospheric Travel Distances of Several PAHs Calculated by Two Fate and Transport Models (The Tool and ELPOS with Experimental Values Derived from a Peat Bog Transect

    Directory of Open Access Journals (Sweden)

    Sabine Thuens

    2014-05-01

    Full Text Available Multimedia fate and transport models are used to evaluate the long range transport potential (LRTP of organic pollutants, often by calculating their characteristic travel distance (CTD. We calculated the CTD of several polycyclic aromatic hydrocarbons (PAHs and metals using two models: the OECD POV& LRTP Screening Tool (The Tool, and ELPOS. The absolute CTDs of PAHs estimated with the two models agree reasonably well for predominantly particle-bound congeners, while discrepancies are observed for more volatile congeners. We test the performance of the models by comparing the relative ranking of CTDs with the one of experimentally determined travel distances (ETDs. ETDs were estimated from historical deposition rates of pollutants to peat bogs in Eastern Canada. CTDs and ETDs of PAHs indicate a low LRTP. To eliminate the high influence on specific model assumptions and to emphasize the difference between the travel distances of single PAHs, ETDs and CTDs were analyzed relative to the travel distances of particle-bound compounds. The ETDs determined for PAHs, Cu, and Zn ranged from 173 to 321 km with relative uncertainties between 26% and 46%. The ETDs of two metals were shorter than those of the PAHs. For particle-bound PAHs the relative ETDs and CTDs were similar, while they differed for Chrysene.

  11. RATIONAL AGGREGATION OF THE PRODUCTION LIST OF THE ECONOMIC MODEL WITH THE DETAILED TIMBER COMPLEX (ASSESSMENT ON THE BASE OF THE EXPERIMENTAL CALCULATIONS

    Directory of Open Access Journals (Sweden)

    Mkrtchyan G. M.

    2015-09-01

    Full Text Available The main principle of developing specialized model complexes is based on the approach when the detailed description of the object (the core, the main body is added by the description of the context. In addition to the above, the core of the system can be made up in turns by objects picked up from the context. Developing the models on separate subsystems of the economy, presented in details in the basic model, leads to creation of problems (equations with many variables and parameters where for the specific goals of analysis (and forecasting it is not at all obligatory to use the full-scale model. Such redundancy is unnecessary while using this model for scenario calculations in the context of “branch ” problems. The authors provide experimental calculations which allow evaluating the influence of aggregation on resulting information. Average year growth rates of production by branches of timber complex are considered as resulting information. Closeness of decisions on these indicators proves the hypothesis about possibility and rationality of such aggregation of the economic context for the timber complex.

  12. CACA-2: revised version of CACA-a heavy isotope and fission-product concentration calculational code for experimental irradiation capsules

    International Nuclear Information System (INIS)

    Allen, E.J.

    1976-02-01

    A computer program is described which calculates nuclide concentration histories, power or neutron flux histories, burnups, and fission-product birthrates for fueled experimental capsules subjected to neutron irradiations. Seventeen heavy nuclides in the chain from 232 Th to 242 Pu and a user-specified number of fission products are treated. A fourth-order Runge-Kutta calculational method solves the differential equations for nuclide concentrations as a function of time. For a particular problem, a user-specified number of fuel regions may be treated. A fuel region is described by volume, length, and specific irradiation history. A number of initial fuel compositions may be specified for each fuel region. The irradiation history for each fuel region can be divided into time intervals, and a constant power density or a time-dependent neutron flux is specified for each time interval. Also, an independent cross-section set may be selected for each time interval in each irradiation history. The fission-product birthrates for the first composition of each fuel region are summed to give the total fission-product birthrates for the problem

  13. Standard Test Method for Calculation of Stagnation Enthalpy from Heat Transfer Theory and Experimental Measurements of Stagnation-Point Heat Transfer and Pressure

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2005-01-01

    1.1 This test method covers the calculation from heat transfer theory of the stagnation enthalpy from experimental measurements of the stagnation-point heat transfer and stagnation pressure. 1.2 Advantages 1.2.1 A value of stagnation enthalpy can be obtained at the location in the stream where the model is tested. This value gives a consistent set of data, along with heat transfer and stagnation pressure, for ablation computations. 1.2.2 This computation of stagnation enthalpy does not require the measurement of any arc heater parameters. 1.3 Limitations and ConsiderationsThere are many factors that may contribute to an error using this type of approach to calculate stagnation enthalpy, including: 1.3.1 TurbulenceThe turbulence generated by adding energy to the stream may cause deviation from the laminar equilibrium heat transfer theory. 1.3.2 Equilibrium, Nonequilibrium, or Frozen State of GasThe reaction rates and expansions may be such that the gas is far from thermodynamic equilibrium. 1.3.3 Noncat...

  14. Calculation extinction cross sections and molar attenuation coefficient of small gold nanoparticles and experimental observation of their UV-vis spectral properties

    Science.gov (United States)

    Tang, Junqi; Gao, Kunpeng; Ou, Quanhong; Fu, Xuewen; Man, Shi-Qing; Guo, Jie; Liu, Yingkai

    2018-02-01

    Gold nanoparticles (AuNPs) have been researched extensively, such as applied in various biosensors, biomedical imaging and diagnosis, catalysis and physico-chemical analysis. These applications usually required to know the nanoparticle size or concentration. Researchers have been studying a simply and quick way to estimate the concentration or size of nanoparticles from their optical spectra and SPR feature for several years. The extinction cross-sections and the molar attenuation coefficient were one of the key parameters. In this study, we calculated the extinction cross-sections and molar attenuation coefficient (decadic molar extinction coefficient) of small gold nanoparticles by dipole approximation method and modified Beer-Lambert law. The theoretical result showed that the surface plasmon resonance peak of small gold nanoparticles was blueshift with an increase size. Moreover, small AuNPs (sub-10 nm) were prepared by using of dextran or trisodium citrate as reducing agent and capping agent. The experimental synthesized AuNPs was also shows a blueshift as increasing particle size in a certain range. And the concentration of AuNPs was calculated based on the obtained molar attenuation coefficient. For small nanoparticles, the size of nanoparticles and surface plasmon resonance property was not showed a positive correlation compared to larger nanoparticles. These results suggested that SPR peak depended not only on the nanoparticle size and shape but also on the nanoparticles environment.

  15. Determination of ultra-short laser induced damage threshold of KH{sub 2}PO{sub 4} crystal: Numerical calculation and experimental verification

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Jian [Center for Precision Engineering, School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Department of Physics, The Ohio State University, 191 W. Woodruff Ave, Columbus, OH 43210 (United States); Chen, Mingjun, E-mail: chenmj@hit.edu.cn, E-mail: chowdhury.24@osu.edu; Wang, Jinghe; Xiao, Yong [Center for Precision Engineering, School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Kafka, Kyle; Austin, Drake; Chowdhury, Enam, E-mail: chenmj@hit.edu.cn, E-mail: chowdhury.24@osu.edu [Department of Physics, The Ohio State University, 191 W. Woodruff Ave, Columbus, OH 43210 (United States)

    2016-03-15

    Rapid growth and ultra-precision machining of large-size KDP (KH{sub 2}PO{sub 4}) crystals with high laser damage resistance are tough challenges in the development of large laser systems. It is of high interest and practical significance to have theoretical models for scientists and manufacturers to determine the laser-induced damage threshold (LIDT) of actually prepared KDP optics. Here, we numerically and experimentally investigate the laser-induced damage on KDP crystals in ultra-short pulse laser regime. On basis of the rate equation for free electron generation, a model dedicated to predicting the LIDT is developed by considering the synergistic effect of photoionization, impact ionization and decay of electrons. Laser damage tests are performed to measure the single-pulse LIDT with several testing protocols. The testing results combined with previously reported experimental data agree well with those calculated by the model. By taking the light intensification into consideration, the model is successfully applied to quantitatively evaluate the effect of surface flaws inevitably introduced in the preparation processes on the laser damage resistance of KDP crystals. This work can not only contribute to further understanding of the laser damage mechanisms of optical materials, but also provide available models for evaluating the laser damage resistance of exquisitely prepared optical components used in high power laser systems.

  16. ICLAS of water in the 770 nm transparency window (12 746-13 558 cm-1). Comparison with current experimental and calculated databases

    International Nuclear Information System (INIS)

    Campargue, A.; Mikhailenko, S.; Liu, A.W.

    2008-01-01

    The absorption spectrum of water vapor has been investigated by intracavity laser spectroscopy (ICLAS) in the 12 746-13 558 cm -1 spectral region corresponding to an interesting transparency window of the atmosphere, partly obscured by the A band of molecular oxygen. The achieved sensitivity-in the order of α min ∼10 -9 cm -1 -has allowed one to measure 1062 water lines with intensities ranging from 1.6x10 -28 to 2.35x10 -24 cm/molecule at 296 K. A total of 169 new and improved energy levels belonging to 21 vibrational states could be determined from 374 newly measured transitions. The retrieved experimental line list is compared with the spectra calculated by Schwenke and Partridge, and Barber and Tennyson. Comparison with the available experimental databases shows that the obtained results represent a significant improvement of the knowledge of the water absorption in the considered region, in particular in the region of the oxygen A band

  17. 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.

  18. Absorbed dose in AgBr in direct film for photon energies (<150 keV): relation to optical density. Theoretical calculation and experimental evaluation

    International Nuclear Information System (INIS)

    Helmrot, E.; Alm Carlsson, G.

    1996-01-01

    Calculations of absorbed dose in the silver bromide were compared with measurements of optical densities in Ultra-speed and Ektaspeed films for a broad range (25-145 kV) of X-ray energy. The calculated absorbed dose values were appropriately averaged over the complete photon energy spectrum, which was determined experimentally using a Compton spectrometer. For the whole range of tube potentials used, the measured optical densities of the films were found to be proportional to the mean absorbed dose in the AgBr grains calculated according to GREENING's theory. They were also found to be proportional to the collision kerma in silver bromide (K c,AgBr ) indicating proportionality between K c,AgBr and the mean absorbed dose in silver bromide. While GREENING's theory shows that the quotient of the mean absorbed dose in silver bromide and K c,AgBr varies with photon energy, this is not apparent when averaged over the broad (diagnostic) X-ray energy spectra used here. Alternatively, proportionality between K c,AgBr and the mean absorbed dose in silver bromide can be interpreted as resulting from a combination of the SPIERS-CHARLTON theory, valid at low photon energies ( c,AgBr (at the position of the film) independent of photon energy. The importance of taking the complete X-ray energy spectrum into full account in deriving K c,AgBr is clearly demonstrated, showing that the concept of effective energy must be used with care. (orig./HP)

  19. SU-F-T-152: Experimental Validation and Calculation Benchmark for a Commercial Monte Carlo Pencil BeamScanning Proton Therapy Treatment Planning System in Heterogeneous Media

    Energy Technology Data Exchange (ETDEWEB)

    Lin, L; Huang, S; Kang, M; Ainsley, C; Simone, C; McDonough, J; Solberg, T [University of Pennsylvania, Philadelphia, PA (United States)

    2016-06-15

    Purpose: Eclipse AcurosPT 13.7, the first commercial Monte Carlo pencil beam scanning (PBS) proton therapy treatment planning system (TPS), was experimentally validated for an IBA dedicated PBS nozzle in the CIRS 002LFC thoracic phantom. Methods: A two-stage procedure involving the use of TOPAS 1.3 simulations was performed. First, Geant4-based TOPAS simulations in this phantom were experimentally validated for single and multi-spot profiles at several depths for 100, 115, 150, 180, 210 and 225 MeV proton beams, using the combination of a Lynx scintillation detector and a MatriXXPT ionization chamber array. Second, benchmark calculations were performed with both AcurosPT and TOPAS in a phantom identical to the CIRS 002LFC, with the exception that the CIRS bone/mediastinum/lung tissues were replaced with similar tissues that are predefined in AcurosPT (a limitation of this system which necessitates the two stage procedure). Results: Spot sigmas measured in tissue were in agreement within 0.2 mm of TOPAS simulation for all six energies, while AcurosPT was consistently found to have larger spot sigma (<0.7 mm) than TOPAS. Using absolute dose calibration by MatriXXPT, the agreements between profiles measurements and TOPAS simulation, and calculation benchmarks are over 97% except near the end of range using 2 mm/2% gamma criteria. Overdosing and underdosing were observed at the low and high density side of tissue interfaces, respectively, and these increased with increasing depth and decreasing energy. Near the mediastinum/lung interface, the magnitude can exceed 5 mm/10%. Furthermore, we observed >5% quenching effect in the conversion of Lynx measurements to dose. Conclusion: We recommend the use of an ionization chamber array in combination with the scintillation detector to measure absolute dose and relative PBS spot characteristics. We also recommend the use of an independent Monte Carlo calculation benchmark for the commissioning of a commercial TPS. Partially

  20. Experimental verification of the Acuros XB and AAA dose calculation adjacent to heterogeneous media for IMRT and RapidArc of nasopharygeal carcinoma.

    Science.gov (United States)

    Kan, Monica W K; Leung, Lucullus H T; So, Ronald W K; Yu, Peter K N

    2013-03-01

    To compare the doses calculated by the Acuros XB (AXB) algorithm and analytical anisotropic algorithm (AAA) with experimentally measured data adjacent to and within heterogeneous medium using intensity modulated radiation therapy (IMRT) and RapidArc(®) (RA) volumetric arc therapy plans for nasopharygeal carcinoma (NPC). Two-dimensional dose distribution immediately adjacent to both air and bone inserts of a rectangular tissue equivalent phantom irradiated using IMRT and RA plans for NPC cases were measured with GafChromic(®) EBT3 films. Doses near and within the nasopharygeal (NP) region of an anthropomorphic phantom containing heterogeneous medium were also measured with thermoluminescent dosimeters (TLD) and EBT3 films. The measured data were then compared with the data calculated by AAA and AXB. For AXB, dose calculations were performed using both dose-to-medium (AXB_Dm) and dose-to-water (AXB_Dw) options. Furthermore, target dose differences between AAA and AXB were analyzed for the corresponding real patients. The comparison of real patient plans was performed by stratifying the targets into components of different densities, including tissue, bone, and air. For the verification of planar dose distribution adjacent to air and bone using the rectangular phantom, the percentages of pixels that passed the gamma analysis with the ± 3%/3mm criteria were 98.7%, 99.5%, and 97.7% on the axial plane for AAA, AXB_Dm, and AXB_Dw, respectively, averaged over all IMRT and RA plans, while they were 97.6%, 98.2%, and 97.7%, respectively, on the coronal plane. For the verification of planar dose distribution within the NP region of the anthropomorphic phantom, the percentages of pixels that passed the gamma analysis with the ± 3%/3mm criteria were 95.1%, 91.3%, and 99.0% for AAA, AXB_Dm, and AXB_Dw, respectively, averaged over all IMRT and RA plans. Within the NP region where air and bone were present, the film measurements represented the dose close to unit density water

  1. Experimental verification of the Acuros XB and AAA dose calculation adjacent to heterogeneous media for IMRT and RapidArc of nasopharygeal carcinoma

    International Nuclear Information System (INIS)

    Kan, Monica W. K.; Leung, Lucullus H. T.; So, Ronald W. K.; Yu, Peter K. N.

    2013-01-01

    Purpose: To compare the doses calculated by the Acuros XB (AXB) algorithm and analytical anisotropic algorithm (AAA) with experimentally measured data adjacent to and within heterogeneous medium using intensity modulated radiation therapy (IMRT) and RapidArc ® (RA) volumetric arc therapy plans for nasopharygeal carcinoma (NPC). Methods: Two-dimensional dose distribution immediately adjacent to both air and bone inserts of a rectangular tissue equivalent phantom irradiated using IMRT and RA plans for NPC cases were measured with GafChromic ® EBT3 films. Doses near and within the nasopharygeal (NP) region of an anthropomorphic phantom containing heterogeneous medium were also measured with thermoluminescent dosimeters (TLD) and EBT3 films. The measured data were then compared with the data calculated by AAA and AXB. For AXB, dose calculations were performed using both dose-to-medium (AXB Dm ) and dose-to-water (AXB Dw ) options. Furthermore, target dose differences between AAA and AXB were analyzed for the corresponding real patients. The comparison of real patient plans was performed by stratifying the targets into components of different densities, including tissue, bone, and air. Results: For the verification of planar dose distribution adjacent to air and bone using the rectangular phantom, the percentages of pixels that passed the gamma analysis with the ± 3%/3mm criteria were 98.7%, 99.5%, and 97.7% on the axial plane for AAA, AXB Dm , and AXB Dw , respectively, averaged over all IMRT and RA plans, while they were 97.6%, 98.2%, and 97.7%, respectively, on the coronal plane. For the verification of planar dose distribution within the NP region of the anthropomorphic phantom, the percentages of pixels that passed the gamma analysis with the ± 3%/3mm criteria were 95.1%, 91.3%, and 99.0% for AAA, AXB Dm , and AXB Dw , respectively, averaged over all IMRT and RA plans. Within the NP region where air and bone were present, the film measurements represented the

  2. Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions

    Directory of Open Access Journals (Sweden)

    Masego Dibetsoe

    2015-08-01

    Full Text Available The effects of seven macrocyclic compounds comprising four phthalocyanines (Pcs namely 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (Pc1, 2,3,9,10,16,17,23,24-octakis(octyloxy-29H,31H-phthalocyanine (Pc2, 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (Pc3 and 29H,31H-phthalocyanine (Pc4, and three naphthalocyanines namely 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine (nPc1, 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (nPc2 and 2,3-naphthalocyanine (nP3 were investigated on the corrosion of aluminium (Al in 1 M HCl using a gravimetric method, potentiodynamic polarization technique, quantum chemical calculations and quantitative structure activity relationship (QSAR. Synergistic effects of KI on the corrosion inhibition properties of the compounds were also investigated. All the studied compounds showed appreciable inhibition efficiencies, which decrease with increasing temperature from 30 °C to 70 °C. At each concentration of the inhibitor, addition of 0.1% KI increased the inhibition efficiency compared to the absence of KI indicating the occurrence of synergistic interactions between the studied molecules and I− ions. From the potentiodynamic polarization studies, the studied Pcs and nPcs are mixed type corrosion inhibitors both without and with addition of KI. The adsorption of the studied molecules on Al surface obeys the Langmuir adsorption isotherm, while the thermodynamic and kinetic parameters revealed that the adsorption of the studied compounds on Al surface is spontaneous and involves competitive physisorption and chemisorption mechanisms. The experimental results revealed the aggregated interactions between the inhibitor molecules and the results further indicated that the peripheral groups on the compounds affect these interactions. The calculated quantum chemical parameters and the QSAR results revealed the possibility of strong interactions between the studied inhibitors and metal surface. QSAR

  3. Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model.

    Science.gov (United States)

    Pierens, Gregory K; Venkatachalam, T K; Reutens, David C

    2016-04-01

    A comparative study of experimental and calculated NMR chemical shifts of six compounds comprising 2-amino and 2-hydroxy phenyl benzoxazoles/benzothiazoles/benzimidazoles in four solvents is reported. The benzimidazoles showed interesting spectral characteristics, which are discussed. The proton and carbon chemical shifts were similar for all solvents. The largest chemical shift deviations were observed in benzene. The chemical shifts were calculated with density functional theory using a suite of four functionals and basis set combinations. The calculated chemical shifts revealed a good match to the experimentally observed values in most of the solvents. The mean absolute error was used as the primary metric. The use of an additional metric is suggested, which is based on the order of chemical shifts. The DP4 probability measures were also used to compare the experimental and calculated chemical shifts for each compound in the four solvents. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  4. Ant-App-DB: a smart solution for monitoring arthropods activities, experimental data management and solar calculations without GPS in behavioral field studies.

    Science.gov (United States)

    Ahmed, Zeeshan; Zeeshan, Saman; Fleischmann, Pauline; Rössler, Wolfgang; Dandekar, Thomas

    2014-01-01

    Field studies on arthropod ecology and behaviour require simple and robust monitoring tools, preferably with direct access to an integrated database. We have developed and here present a database tool allowing smart-phone based monitoring of arthropods. This smart phone application provides an easy solution to collect, manage and process the data in the field which has been a very difficult task for field biologists using traditional methods. To monitor our example species, the desert ant Cataglyphis fortis, we considered behavior, nest search runs, feeding habits and path segmentations including detailed information on solar position and azimuth calculation, ant orientation and time of day. For this we established a user friendly database system integrating the Ant-App-DB with a smart phone and tablet application, combining experimental data manipulation with data management and providing solar position and timing estimations without any GPS or GIS system. Moreover, the new desktop application Dataplus allows efficient data extraction and conversion from smart phone application to personal computers, for further ecological data analysis and sharing. All features, software code and database as well as Dataplus application are made available completely free of charge and sufficiently generic to be easily adapted to other field monitoring studies on arthropods or other migratory organisms. The software applications Ant-App-DB and Dataplus described here are developed using the Android SDK, Java, XML, C# and SQLite Database.

  5. Radiolysis of liquid water: an attempt to reconcile Monte-Carlo calculations with new experimental hydrated electron yield data at early times

    International Nuclear Information System (INIS)

    Muroya, Y.; Meesungnoen, J.; Jay-Gerin, J.-P.; Filali-Mouhim, A.; Goulet, T.; Katsumura, Y.; Mankhetkorn, S.

    2002-01-01

    A re-examination of our Monte-Carlo modeling of the radiolysis of liquid water by low linear-energy-transfer (LET ∼ 0.3 keV μm -1 ) radiation is undertaken herein in an attempt to reconcile the results of our simulation code with recently revised experimental hydrated electron (e aq - ) yield data at early times. The thermalization distance of subexcitation electrons, the recombination cross section of the electrons with their water parent cations prior to thermalization, and the branching ratios of the different competing mechanisms in the dissociative decay of vibrationally excited states of water molecules were taken as adjustable parameters in our simulations. Using a global-fit procedure, we have been unable to find a set of values for those parameters to simultaneously reproduce (i) the revised e aq - yield of 4.0 ± 0.2 molecules per 100 eV at 'time zero' (that is, a reduction of ∼20% over the hitherto accepted value of 4.8 molecules per 100 eV), (ii) the newly measured e aq - decay kinetic profile from 100 ps to 10 ns, and (iii) the time-dependent yields of the other radiolytic species H . , . OH, H 2 , and H 2 O 2 (up to ∼1 μs). The lowest possible limiting 'time-zero' yield of e aq - that we could in fact obtain, while ensuring an acceptable agreement between all computed and experimental yields, was ∼4.4 to 4.5 molecules per 100 eV. Under these conditions, the mean values of the electron thermalization distance and of the geminate electron-cation recombination probability, averaged over the subexcitation electron 'entry spectrum,' are found to be equal to ∼139 A and ∼18%, respectively. These values are to be compared with those obtained in our previous simulations of liquid water radiolysis, namely ∼88 A and ∼5.5%, respectively. Our average electron thermalization distance is also to be compared with the typical size (∼64-80 A) of the initial hydrated electron distributions estimated in current deterministic models of 'spur' chemistry

  6. Experimental measures of the energy rate absorbed in the aluminium and the comparison with the calculation using factors of dose and carrier of electrons by means of MCNP code

    International Nuclear Information System (INIS)

    Federico, Claudio A.; Vieira, Wilson J.; Rigolon, Leda S.Y.; Geraldo, Luiz P.

    2000-01-01

    In this paper are presented the results of a Monte Carlo calculation for the energy deposition rate in aluminum plates, when a collimated beam of gamma-rays produced by thermal neutrons capture in nickel target passes through them. The absorbed dose rate as a function of the aluminum thickness crossed by the gamma beam has been measured by using CaSO e :Dy thermoluminescent dosimeters. The capture gamma ray beam was extracted from a tangential beam tube of the IPEN's IEA-R1 2MW research reactor. The absorbed dose calculation was performed employing the Monte Carlo N-particle transport code (MCNP) and two methods of calculation: the simulated gamma ray flux multiplied by a dose conversion factor, and the simulated electron flux multiplied by the collision linear energy loss. The calculation results obtained by the electron transport have shown a good agreement with the experimental measurements. For deeper layers (more than 10 mm aluminum thickness), the calculation using the gamma ray flux multiplied by dose conversion factors, as well the calculation employing the electron transport, exhibit the same decreasing trade observed in experimental data, differing by a normalization factor of approximately 1.4. However, for layers nearer the material surface, the calculation using photon flux produces an overestimation of that using the electron transport as well as of the experimental results. (author)

  7. 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.

  8. Mechanism of Reaction in NaAlCl4 Molten Salt Batteries with Nickel Felt Cathodes and Aluminum Anodes. Part II: Experimental Results and Comparison with Model Calculations

    DEFF Research Database (Denmark)

    Knutz, B.C.; Berg, Rolf W.; Hjuler, Hans Aage

    1993-01-01

    The battery systems: Al/NaCl-AlCl3-Al(2)X(3)/Ni-felt (X = S, Se, Te) and the corresponding system without chalcogen have been studied experimentally at 175 degrees C. Charge/discharge experimental performed on cells with NaCl saturated melts, show that advantages with regard to rate capability an...

  9. For a Better Estimation of Gamma Heating in Experimental Reactors and Devices: Stakes and Work Plan from Calculation Methods to Nuclear Data

    International Nuclear Information System (INIS)

    Lemaire, Matthieu; Vaglio-Gaudard, Claire; Lyoussi, Abdallah; Reynard-Carette, Christelle

    2013-06-01

    The Jules Horowitz Reactor (JHR) is an international Material-Testing Reactor currently under construction at CEA Cadarache. The determination of gamma heating levels in this future commercial reactor is of crucial importance as gamma heating affects both safety and performance parameters of the JHR. Required accuracy (5% at one standard deviation) makes it necessary to calibrate bias and uncertainty associated with JHR gamma-heating calculations. Main steps of bias determination for gamma-heating calculations include, firstly, the development of a calculation methodology with controlled use of physical approximations; secondly, the interpretation of gamma-heating measurements so as to determine bias supposed to be only due to nuclear data. (authors)

  10. Quantification of the computational accuracy of code systems on the burn-up credit using experimental re-calculations; Quantifizierung der Rechengenauigkeit von Codesystemen zum Abbrandkredit durch Experimentnachrechnungen

    Energy Technology Data Exchange (ETDEWEB)

    Behler, Matthias; Hannstein, Volker; Kilger, Robert; Moser, Franz-Eberhard; Pfeiffer, Arndt; Stuke, Maik

    2014-06-15

    In order to account for the reactivity-reducing effect of burn-up in the criticality safety analysis for systems with irradiated nuclear fuel (''burnup credit''), numerical methods to determine the enrichment and burnup dependent nuclide inventory (''burnup code'') and its resulting multiplication factor k{sub eff} (''criticality code'') are applied. To allow for reliable conclusions, for both calculation systems the systematic deviations of the calculation results from the respective true values, the bias and its uncertainty, are being quantified by calculation and analysis of a sufficient number of suitable experiments. This quantification is specific for the application case under scope and is also called validation. GRS has developed a methodology to validate a calculation system for the application of burnup credit in the criticality safety analysis for irradiated fuel assemblies from pressurized water reactors. This methodology was demonstrated by applying the GRS home-built KENOREST burnup code and the criticality calculation sequence CSAS5 from SCALE code package. It comprises a bounding approach and alternatively a stochastic, which both have been exemplarily demonstrated by use of a generic spent fuel pool rack and a generic dry storage cask, respectively. Based on publicly available post irradiation examination and criticality experiments, currently the isotopes of uranium and plutonium elements can be regarded for.

  11. A study of the structure of 162Dy through the (n,γ) and (n,e-) reactions

    International Nuclear Information System (INIS)

    Warner, D.D.; Shi, Z.R.; Gelletly, W.; Borner, H.G.; Hoyler, F.; Schreckenbach, K.; van Isacker, P.

    1987-01-01

    The level structure below 2 MeV in 162 Dy has been investigated using the 161 Dy(n,γ) 162 Dy and 161 Dy(n,e - ) 162 Dy reactions. The results for the positive parity excitations are discussed within the framework of an Interacting Boson Approximation (IBA-2) calculation. 7 refs., 1 fig., 1 tab

  12. Poster — Thur Eve — 30: 4D VMAT dose calculation methodology to investigate the interplay effect: experimental validation using TrueBeam Developer Mode and Gafchromic film

    Energy Technology Data Exchange (ETDEWEB)

    Teke, T; Milette, MP [BC Cancer Agency Centre for the Southern Interior (Canada); Huang, V; Thomas, SD [BC Cancer Agency Fraser Valley Cancer Centre (Canada)

    2014-08-15

    The interplay effect between the tumor motion and the radiation beam modulation during a VMAT treatment delivery alters the delivered dose distribution from the planned one. This work present and validate a method to accurately calculate the dose distribution in 4D taking into account the tumor motion, the field modulation and the treatment starting phase. A QUASAR™ respiratory motion phantom was 4D scanned with motion amplitude of 3 cm and with a 3 second period. A static scan was also acquired with the lung insert and the tumor contained in it centered. A VMAT plan with a 6XFFF beam was created on the averaged CT and delivered on a Varian TrueBeam and the trajectory log file was saved. From the trajectory log file 10 VMAT plans (one for each breathing phase) and a developer mode XML file were created. For the 10 VMAT plans, the tumor motion was modeled by moving the isocentre on the static scan, the plans were re-calculated and summed in the treatment planning system. In the developer mode, the tumor motion was simulated by moving the couch dynamically during the treatment. Gafchromic films were placed in the QUASAR phantom static and irradiated using the developer mode. Different treatment starting phase were investigated (no phase shift, maximum inhalation and maximum exhalation). Calculated and measured isodose lines and profiles are in very good agreement. For each starting phase, the dose distribution exhibit significant differences but are accurately calculated with the methodology presented in this work.

  13. Experimental verification of dose calculation using the simplified Monte Carlo method with an improved initial beam model for a beam-wobbling system

    International Nuclear Information System (INIS)

    Tansho, Ryohei; Takada, Yoshihisa; Mizutani, Shohei; Kohno, Ryosuke; Hotta, Kenji; Akimoto, Tetsuo; Hara, Yousuke

    2013-01-01

    A beam delivery system using a single-radius-beam-wobbling method has been used to form a conformal irradiation field for proton radiotherapy in Japan. A proton beam broadened by the beam-wobbling system provides a non-Gaussian distribution of projection angle different in two mutually orthogonal planes with a common beam central axis, at a certain position. However, the conventional initial beam model for dose calculations has been using an approximation of symmetric Gaussian angular distribution with the same variance in both planes (called here a Gaussian model with symmetric variance (GMSV)), instead of the accurate one. We have developed a more accurate initial beam model defined as a non-Gaussian model with asymmetric variance (NonGMAV), and applied it to dose calculations using the simplified Monte Carlo (SMC) method. The initial beam model takes into account the different distances of two beam-wobbling magnets from the iso-center and also the different amplitudes of kick angle given by each magnet. We have confirmed that the calculation using the SMC with NonGMAV reproduced the measured dose distribution formed in air by a mono-energetic proton beam passing through a square aperture collimator better than with the GMSV and with a Gaussian model with asymmetric variance (GMAV) in which different variances of angular distributions are used in the two mutually orthogonal planes. Measured dose distributions in a homogeneous phantom formed by a modulated proton beam passing through a range shifter and an L-shaped range compensator, were consistent with calculations using the SMC with GMAV and NonGMAV, but in disagreement with calculations using the SMC with GMSV. Measured lateral penumbrae in a lateral direction were reproduced better by calculations using the SMC with NonGMAV than by those with GMAV, when an aperture collimator with a smaller opening was used. We found that such a difference can be attributed to the non-Gaussian angular distribution of the

  14. Nuclear Calculations of Light-Water Moderated Reactors and Experimental Correlations; Calculs de Riacteurs Ralentis a l'Eau Ordinaire et Comparaison avec les Risultats Expirimentaux; Raschet reaktorov s zamedlitelem iz obychnoj vody i sravnenie s ehksperimental'nymi rezul'tatami; Calculos Nucleares de Reactores Moderados por Agua Ligera y Correlacion Experimental

    Energy Technology Data Exchange (ETDEWEB)

    Solanilla, R. [Comision Nacional de Energia Atomica, Buenos Aires (Argentina)

    1964-02-15

    Using the theory of two groups modified by epithermal fissions, we analysed a set of critical systems comprising a reflector and light-water moderator and nuclear fuel consisting of U{sup 235} in various degrees of enrichment. The cross-sections of the thermal group used are those listed in the Tables of Amster for hydrogenated mixtures at different temperatures, U{sup 235} concentrations and 1/v absorbers. The effect of heterogeneity in the cross-sections was dealt with by approximation, modifying the concentrations of the absorbers by spatial variation of the thermal flux in the elementary cell. The disadvantage factor was calculated using the formula of Amouyal-Benoist. The thermal diffusion coefficient was defined as the reciprocal of three times the macroscopic transport cross-section homogenized over the volume of the elementary cell. The constants of the fast group were calculated in accordance with Ombrellaro's scheme for three fast diffusion groups (10 MeV to 0.821 MeV; 0.821 MeV to 5.5 keV; 5.5 keV to 0.625 eV) with microscopic cross-sections fitted for each group. Ombrellaro's definition of the neutron constants for the three fast groups as a function of the fitted cross-sections was modified for the third group in accordance with Hick's treatment of the effective resonance absorption of U{sup 238} , based on the calculation of the effective resonance integral. The calculations were performed by computing the effective resonance integral of U{sup 238} by the formula obtained theoretically by the author and involving reduction of the S/M relationship in accordance with Bell's approximation of the ''Dancoff'' effect. The correlation with the available experimental results, which extend to a wide range of moderation, composition of materials and geometry and which was carried out by comparing some of the main parameters of a lattice and/or effective multiplication, shows satisfactory results, with scattering of generally not more than 2% between calculated

  15. Experimental validation of deterministic Acuros XB algorithm for IMRT and VMAT dose calculations with the Radiological Physics Center's head and neck phantom

    International Nuclear Information System (INIS)

    Han Tao; Mourtada, Firas; Kisling, Kelly; Mikell, Justin; Followill, David; Howell, Rebecca

    2012-01-01

    Purpose: The purpose of this study was to verify the dosimetric performance of Acuros XB (AXB), a grid-based Boltzmann solver, in intensity-modulated radiation therapy (IMRT) and volumetric-modulated arc therapy (VMAT). Methods: The Radiological Physics Center (RPC) head and neck (H and N) phantom was used for all calculations and measurements in this study. Clinically equivalent IMRT and VMAT plans were created on the RPC H and N phantom in the Eclipse treatment planning system (version 10.0) by using RPC dose prescription specifications. The dose distributions were calculated with two different algorithms, AXB 11.0.03 and anisotropic analytical algorithm (AAA) 10.0.24. Two dose report modes of AXB were recorded: dose-to-medium in medium (D m,m ) and dose-to-water in medium (D w,m ). Each treatment plan was delivered to the RPC phantom three times for reproducibility by using a Varian Clinac iX linear accelerator. Absolute point dose and planar dose were measured with thermoluminescent dosimeters (TLDs) and GafChromic registered EBT2 film, respectively. Profile comparison and 2D gamma analysis were used to quantify the agreement between the film measurements and the calculated dose distributions from both AXB and AAA. The computation times for AAA and AXB were also evaluated. Results: Good agreement was observed between measured doses and those calculated with AAA or AXB. Both AAA and AXB calculated doses within 5% of TLD measurements in both the IMRT and VMAT plans. Results of AXB Dm,m (0.1% to 3.6%) were slightly better than AAA (0.2% to 4.6%) or AXB Dw,m (0.3% to 5.1%). The gamma analysis for both AAA and AXB met the RPC 7%/4 mm criteria (over 90% passed), whereas AXB Dm,m met 5%/3 mm criteria in most cases. AAA was 2 to 3 times faster than AXB for IMRT, whereas AXB was 4-6 times faster than AAA for VMAT. Conclusions: AXB was found to be satisfactorily accurate when compared to measurements in the RPC H and N phantom. Compared with AAA, AXB results were equal

  16. Modeling of pollutant formation in fully premixing surface burners using a verified practice-oriented experimental reaction-kinetic calculation method. Final report

    International Nuclear Information System (INIS)

    Ruy, C.; Kremer, H.

    1996-01-01

    The intent of the present study was to simulate quantitatively pollutant formation in premixing surface burners and to describe qualitatively the share of the premixing flame in pollut emissions from atmospheric burners. For this purpose reaction-kinetic programmes for one-dimensional premixing flames were extended by a terms describing heat discharge through gas radiation. Furthermore, the calculation range for the flame was extended far into the secondary reaction zone. Temperature, CO, and NO x profiles were measured in the secondary reaction zone of premixing burners at standard pressure. The air-fuel ratio was calculated within the practically relevant range between 0.5 and 1.5, as was load behaviour. (DG) [de

  17. O(. cap alpha. sub(S))/sup 2/ calculation of energy-energy correlation in e/sup +/e/sup -/ annihilation and comparison with experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Ali, A [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany, F.R.); Barreiro, F [Gesamthochschule Siegen (Germany, F.R.)

    1982-12-02

    We report, in the framework of quantum chromodynamics, an order ..cap alpha..sub(s)/sup 2/ calculation for the energy-energy correlation and the related asymmetry distribution in e/sup +/e/sup -/ annihilation. The normalized distributions are found to be stable and the correction to normalization moderate. The data from PETRA and PEP are analyzed and the QCD scale parameter ..lambda.. is determined. Effects due to the quark and gluon fragmentation are also discussed.

  18. 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

  19. Dynamic pulse buckling of cylindrical shells under axial impact: A comparison of 2D and 3D finite element calculations with experimental data

    International Nuclear Information System (INIS)

    Hoffman, E.L.; Ammerman, D.J.

    1995-04-01

    A series of tests investigating dynamic pulse buckling of a cylindrical shell under axial impact is compared to several 2D and 3D finite element simulations of the event. The purpose of the work is to investigate the performance of various analysis codes and element types on a problem which is applicable to radioactive material transport packages, and ultimately to develop a benchmark problem to qualify finite element analysis codes for the transport package design industry. Four axial impact tests were performed on 4 in-diameter, 8 in-long, 304 L stainless steel cylinders with a 3/16 in wall thickness. The cylinders were struck by a 597 lb mass with an impact velocity ranging from 42.2 to 45.1 ft/sec. During the impact event, a buckle formed at each end of the cylinder, and one of the two buckles became unstable and collapsed. The instability occurred at the top of the cylinder in three tests and at the bottom in one test. Numerical simulations of the test were performed using the following codes and element types: PRONTO2D with axisymmetric four-node quadrilaterals; PRONTO3D with both four-node shells and eight-node hexahedrons; and ABAQUS/Explicit with axisymmetric two-node shells and four-node quadrilaterals, and 3D four-node shells and eight-node hexahedrons. All of the calculations are compared to the tests with respect to deformed shape and impact load history. As in the tests, the location of the instability is not consistent in all of the calculations. However, the calculations show good agreement with impact load measurements with the exception of an initial load spike which is proven to be the dynamic response of the load cell to the impact. Finally, the PRONIT02D calculation is compared to the tests with respect to strain and acceleration histories. Accelerometer data exhibited good qualitative agreement with the calculations. The strain comparisons show that measurements are very sensitive to gage placement

  20. Calculational-experimental examination and ensuring of equipment and pipelines seismic resistance at starting and operating water-cooled WWER-type reactor NPPs. Final report. From 01 May 1997 - 30 April 1998

    International Nuclear Information System (INIS)

    Kaznovski, S.

    1999-01-01

    In conformity with request from Paks NPP in July 1997 the additional dynamic tests of the following units of equipment were carried out: Heat exchanger (Diesel Generator Station); Jalousie (Diesel Generator Station); Axial ventilator (Main Building, gallery of electric equipment). The natural frequencies of equipment were obtained as results of these testing. For all tested units the calculations of seismic resistance were carried out. The method of finite elements and special computer programmes of KBGU (ISPA, and others) were used. Calculations were carried out in accordance with modem standards. The calculations of tested equipment seismic resistance are carried out based on the obtained experimental data and NPP floor response spectra. The necessary recommendations for unsatisfactory equipment are worked out

  1. Calculated and experimental electron energy-loss spectra of La2O3, La(OH)3, and LaOF nanophases in high permittivity lanthanum-based oxide layers

    Science.gov (United States)

    Calmels, L.; Coulon, P. E.; Schamm-Chardon, S.

    2011-06-01

    Using first principles methods, the O K energy-loss near-edge structure of cubic and hexagonal La2O3, La(OH)3, and LaOF phases have been calculated. These calculations support the identification of nanocrystalline phases evidenced experimentally by electron energy-loss spectroscopy (EELS) performed in a transmission electron microscope. The nanocrystals have been observed in atomic layer deposited La2O3 thin films developed for advanced metal-oxide-semiconductor field effect transistor applications. The presence of the nanophases can be explained by the hygroscopicity and the particular reactivity with fluorine of La2O3. These calculations provide a set of EELS fingerprints which will be useful for local phase identification in La2O3-based materials.

  2. 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...

  3. Rate-controlling two-proton transfer coupled with heavy-atom motion in the 2-pyridinone-catalyzed mutarotation of tetramethylglucose. Experimental and calculated deuterium isotope effects

    International Nuclear Information System (INIS)

    Engdahl, K.A.; Bivehed, H.; Ahlberg, P.; Saunders, W.H. Jr.

    1983-01-01

    Primary and secondary deuterium isotope effects have been measured by polarimetry, and primary isotope effects have been calculated for the classical bifunctional catalysis: 2-pyridinone-catalyzed mutarotation of 2,3,4,6-tetra-O-methyl-α-D-glucopyranose (α-TMG) in benzene. From the positively curved plot of the specific rate of epimerization vs. the mole fraction of 2 H in the ''pool'' of OH and NH hydrogens, the isotope effects k/sub HH//k/sub DD/ = 3.66 +/- 0.09, k/sub HH//k/sub DH/ = 1.5, and k/sub HH//k/sub HD/ = 2.4 have been calculated. A secondary isotope effect of 1.14 +/- 0.02 has been measured by using α-TMG and (1- 2 H)-2,3,4,6-tetra-O-methyl-α-D-glucopyranose [(l- 2 H)-α-TMG], the synthesis of which is described in detail, together with those for (N- 2 H)-2-pyridinone and (1-O- 2 H)-2,3,4,6-tetra-O-methyl-α-D-glucopyranose [(1-O- 2 H)-α-TMG]. The rate data obtained have also been analyzed by fractionation theory, yielding approximately equal fractionation factors (0.5). The interpretation of the results has been assisted by calculations of the primary deuterium isotope effects using the BEBOVIB IV program. Two models involving small and considerable coupling, respectively, of the transferring protons to heavy-atom motion have been considered. In the favored structure for the transition state of the rate-limiting step, two protons are in transit, and their motion is governed either by a potential with a barrier or by one without. Their motion is considerably coupled to the heavy-atom motion (i.e., the breakage of the ring C-O bond), and tunnel corrections to the isotope effects are found to be negligible

  4. Control of the loop IRENE in the experimental reactor OSIRIS: calculation of the departure from nucleate boiling ratio in real time

    International Nuclear Information System (INIS)

    Lucot, Michel; Obin, Norbert.

    1980-10-01

    The loop IRENE is an experimental device to study the behaviour of pressurized light-water fuel pins under neutron flux in the Saclay Nuclear Research Centre reactor OSIRIS. It can take 8 fuel pins and allows irradiations to be carried out under thermodynamic, hydraulic and chemical conditions corresponding to those of a PWR power reactor. A brief outline of the loop specifications is followed by an account of the difficulties raised by operating with saturation temperature at the test channel outlet and it is shown how the microprocessor loop pilots are used to solve these problems [fr

  5. Thermal neutron flux distribution in the ET R R-1 reactor core as experimentally measured and theoretically calculated by the code triton

    Energy Technology Data Exchange (ETDEWEB)

    Imam, M [National center for nuclear safety and radiation control, atomic energy authority, Cairo, (Egypt)

    1995-10-01

    Thermal neutron flux distributions that were measured earlier at the ET-R R-1 reactor are compared with those calculated by the three dimensional diffusion code Triton. This comparison was made for the horizontal and vertical flux distributions. The horizontal thermal flux distributions considered in this comparison were along the core diagonals at two planes of different heights from core bottom, where one at a level passing through the control rod at core center and the other at a level below this control rod. In the meantime all the control rods were taken into consideration. The effect of the existence of a water cavity inside the core as well as the influence of the control rods on the thermal flux are illustrated in this work. The vertical thermal flux distributions considered in the comparison were at two positions in core namely; one along the core height the horizontal reactor power distribution along the core height and the horizontal reactor power distribution along the core diagonal as calculated by the code Triton are also given this work. 8 figs., 1 tab.

  6. Comparing Spray Characteristics from Reynolds Averaged Navier-Stokes (RANS) National Combustion Code (NCC) Calculations Against Experimental Data for a Turbulent Reacting Flow

    Science.gov (United States)

    Iannetti, Anthony C.; Moder, Jeffery P.

    2010-01-01

    Developing physics-based tools to aid in reducing harmful combustion emissions, like Nitrogen Oxides (NOx), Carbon Monoxide (CO), Unburnt Hydrocarbons (UHC s), and Sulfur Dioxides (SOx), is an important goal of aeronautics research at NASA. As part of that effort, NASA Glenn Research Center is performing a detailed assessment and validation of an in-house combustion CFD code known as the National Combustion Code (NCC) for turbulent reacting flows. To assess the current capabilities of NCC for simulating turbulent reacting flows with liquid jet fuel injection, a set of Single Swirler Lean Direct Injection (LDI) experiments performed at the University of Cincinnati was chosen as an initial validation data set. This Jet-A/air combustion experiment operates at a lean equivalence ratio of 0.75 at atmospheric pressure and has a 4 percent static pressure drop across the swirler. Detailed comparisons of NCC predictions for gas temperature and gaseous emissions (CO and NOx) against this experiment are considered in a previous work. The current paper is focused on detailed comparisons of the spray characteristics (radial profiles of drop size distribution and at several radial rakes) from NCC simulations against the experimental data. Comparisons against experimental data show that the use of the correlation for primary spray break-up implemented by Raju in the NCC produces most realistic results, but this result needs to be improved. Given the single or ten step chemical kinetics models, use of a spray size correlation gives similar, acceptable results

  7. Integrated system for production of neutronics and photonics calculational constants. Supplemental neutron-induced interactions (Z less than or equal to 35): graphical, experimental data

    International Nuclear Information System (INIS)

    Cullen, D.E.; Howerton, R.J.; MacGregor, M.H.; Perkins, S.T.

    1976-01-01

    This report (Vol. 8) presents graphs of supplemental neutron-induced cross sections in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976. It consists of interactions where more than one data set is needed to show cross-section behavior. In contrast, Vol. 7 of this UCRL-50400 series consists primarily of interactions where a single data set contains enough points to show cross-section behavior. In Vol. 7 can be found the total, elastic, capture, and fission cross sections (along with the parameters anti ν, α, and eta). Volume 8 contains all other reactions. Data are plotted with associated cross-section error bars (when given) and compared with the Evaluated Nuclear Data Library (ENDL) as of July 4, 1976. The plots are arranged in ascending order of atomic number (Z) and atomic weight (A). Part A contains the plots for Z = 1 to 35; Part B contains the plots for Z greater than 35

  8. Animal mortality resulting from uniform exposures to photon radiations: Calculated LD/sub 50/s and a compilation of experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Jones, T.D.; Morris, M.D.; Wells, S.M.; Young, R.W.

    1986-12-01

    Studies conducted during the 1950s and 1960s of radiation-induced mortality to diverse animal species under various exposure protocols were compiled into a mortality data base. Some 24 variables were extracted and recomputed from each of the published studies, which were collected from a variety of available sources, primarily journal articles. Two features of this compilation effort are (1) an attempt to give an estimate of the uniform dose received by the bone marrow in each treatment so that interspecies differences due to body size were minimized and (2) a recomputation of the LD/sub 50/ where sufficient experimental data are available. Exposure rates varied in magnitude from about 10/sup -2/ to 10/sup 3/ R/min. This report describes the data base, the sources of data, and the data-handling techniques; presents a bibliography of studies compiled; and tabulates data from each study. 103 refs., 44 tabs.

  9. Integrated system for production of neutronics and photonics calculational constants. Major neutron-induced interactions (Z less than or equal to 55): graphical, experimental data

    International Nuclear Information System (INIS)

    Cullen, D.E.; Howerton, R.J.; MacGregor, M.H.; Perkins, S.T.

    1976-01-01

    This report (vol. 7) presents graphs of major neutron-induced interaction cross sections in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976. It consists primarily of interactions where a single data set contains enough points to show cross-section behavior. In contrast, vol. 8 of this UCRL-50400 series consists of interactions where more than one data set is needed to show cross section behavior. Thus, you can find the total, elastic, capture, and fission cross sections (along with the parameters anti ν, α, and eta) in vol. 7 and all other reactions in vol. 8. Data are plotted with associated cross section error bars (when given) and compared with the Evaluated Nuclear Data Library (ENDL) as of July 4, 1976. The plots are arranged in ascending order of atomic number (Z) and atomic weight (A). Part A contains the plots for Z = 1 to 55; Part B contains the plots for Z greater than 55

  10. Integrated system for production of neutronics and photonics calculational constants. Major neutron-induced interactions (Z less than or equal to 55): graphical, experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Cullen, D.E.; Howerton, R.J.; MacGregor, M.H.; Perkins, S.T.

    1976-07-04

    This report (vol. 7) presents graphs of major neutron-induced interaction cross sections in the Experimental Cross Section Information Library (ECSIL) as of July 4, 1976. It consists primarily of interactions where a single data set contains enough points to show cross-section behavior. In contrast, vol. 8 of this UCRL-50400 series consists of interactions where more than one data set is needed to show cross section behavior. Thus, you can find the total, elastic, capture, and fission cross sections (along with the parameters anti ..nu.., ..cap alpha.., and eta) in vol. 7 and all other reactions in vol. 8. Data are plotted with associated cross section error bars (when given) and compared with the Evaluated Nuclear Data Library (ENDL) as of July 4, 1976. The plots are arranged in ascending order of atomic number (Z) and atomic weight (A). Part A contains the plots for Z = 1 to 55; Part B contains the plots for Z greater than 55.

  11. Accurate calculation of mutational effects on the thermodynamics of inhibitor binding to p38α MAP kinase: a combined computational and experimental study.

    Science.gov (United States)

    Zhu, Shun; Travis, Sue M; Elcock, Adrian H

    2013-07-09

    A major current challenge for drug design efforts focused on protein kinases is the development of drug resistance caused by spontaneous mutations in the kinase catalytic domain. The ubiquity of this problem means that it would be advantageous to develop fast, effective computational methods that could be used to determine the effects of potential resistance-causing mutations before they arise in a clinical setting. With this long-term goal in mind, we have conducted a combined experimental and computational study of the thermodynamic effects of active-site mutations on a well-characterized and high-affinity interaction between a protein kinase and a small-molecule inhibitor. Specifically, we developed a fluorescence-based assay to measure the binding free energy of the small-molecule inhibitor, SB203580, to the p38α MAP kinase and used it measure the inhibitor's affinity for five different kinase mutants involving two residues (Val38 and Ala51) that contact the inhibitor in the crystal structure of the inhibitor-kinase complex. We then conducted long, explicit-solvent thermodynamic integration (TI) simulations in an attempt to reproduce the experimental relative binding affinities of the inhibitor for the five mutants; in total, a combined simulation time of 18.5 μs was obtained. Two widely used force fields - OPLS-AA/L and Amber ff99SB-ILDN - were tested in the TI simulations. Both force fields produced excellent agreement with experiment for three of the five mutants; simulations performed with the OPLS-AA/L force field, however, produced qualitatively incorrect results for the constructs that contained an A51V mutation. Interestingly, the discrepancies with the OPLS-AA/L force field could be rectified by the imposition of position restraints on the atoms of the protein backbone and the inhibitor without destroying the agreement for other mutations; the ability to reproduce experiment depended, however, upon the strength of the restraints' force constant

  12. Experimental measurement of nuclear heating in a graphite-cantered assembly in deuterium-tritium neutron environment for the validation of data and calculation

    International Nuclear Information System (INIS)

    Kumar, A.; Youssef, M.; Abdou, M.A.

    1998-01-01

    Within the framework of the ITER Task T-218 entitled 'Shielding Blanket Neutronics Experiments', nuclear heating measurements were conducted jointly by the USA and Japan using a micro calorimetric technique in a graphite-cantered assembly. An accelerator-based D-T neutron source at JAERI was used to provide a mixed neutron and photon field. The first measurements related to direct micro calorimetric measurements in individual graphite probes along the axis. In the second set, the first graphite probe was replaced, one by one, by single probes of beryllium, aluminum, silicon, silicon carbide, titanium, vanadium, chromium, iron, stainless steel 316, nickel, copper, zirconium, niobium, molybdenum, tungsten. Analysis of the measurements has been carried out using Monte Carlo code MCNP with FENDL-1, ENDF/B-VI and MCPLIB nuclear data libraries. A comparison of calculations (C) and experiments (E) shows a C/E ratio lying in a C/E band extending from 0.9 to 1.2 for beryllium, graphite, copper, chromium, iron, nickel, 316 stainless steel, titanium, vanadium, molybdenum, niobium and tungsten. However, larger deviations from unity are seen for C/E values for silicon, zirconium, and aluminum. Though FENDL-1 and ENDF/B-VI libraries provide very close nuclear heating rates for most of the probe materials, significant divergences are seen for silicon, silicon carbide, aluminum, titanium, zirconium, niobium, and molybdenum. The divergences are traceable to differences in neutron kerma factors as well as gamma production cross-sections of these materials. (orig.)

  13. The precision of proton range calculations in proton radiotherapy treatment planning: experimental verification of the relation between CT-HU and proton stopping power

    International Nuclear Information System (INIS)

    Schaffner, B.; Pedroni, E.

    1998-01-01

    The precision in proton radiotherapy treatment planning depends on the accuracy of the information used to calculate the stopping power properties of the tissues in the patient's body. This information is obtained from computed tomography (CT) images using a calibration curve to convert CT Hounsfield units into relative proton stopping power values. The validity of a stoichiometric method to create the calibration curve has been verified by measuring pairs of Hounsfield units and stopping power values for animal tissue samples. It was found that the agreement between measurement and calibration curve is better than 1% if beam hardening effects in the acquisition of the CT images can be neglected. The influence of beam hardening effects on the quantitative reading of the CT measurements is discussed and an estimation for the overall range precision of proton beams is given. It is expected that the range of protons in the human body can be controlled to better than ±1.1% of the water equivalent range in soft tissue and ±1.8% in bone, which translates into a range precision of about 1-3 mm in typical treatment situations. (author)

  14. Experimental study and calculations of nitric oxide absorption in the γ(0,0) and γ(1,0) bands for strong temperature conditions

    International Nuclear Information System (INIS)

    Trad, H.; Higelin, P.; Djebaieli-Chaumeix, N.; Mounaim-Rousselle, C.

    2005-01-01

    Absorption spectra of nitric oxide in the γ(0,0) and γ(1,0) bands have been measured for hard temperature conditions up to 1700 K in order to validate a model for the simulation of these two bands. The good agreement between experiments and calculations (relative errors of 2-5% for the γ(0,0) band and 10-15% for the γ(1,0) band) consolidates the two important assumptions concerning the intermediate Hund's case between (a) and (b) for the X 2 Π state of the γ(0,0) and γ(1,0) absorption bands and the use of collisional broadening parameters of γ(0,0) to simulate the γ(1,0) band. Using this simulation, a study of the Beer-Lambert law behavior at high temperature has been carried out. With the instrument resolution used for these experiments, it was shown that a correction of the Beer-Lambert law is necessary. To apply this technique for the measurements of NO concentrations inside the combustion chamber of an optical SI engine, a new formulation of the Beer-Lambert law has been introduced, since the modified form proposed in the literature is no longer applicable in the total column range of interest

  15. Experimental study of a model and parameters calculating annual mean atmospheric dispersion factor for a nuclear power plant to be build in coastal site

    International Nuclear Information System (INIS)

    Hu Erbang; Chen Jiayi; Zhang Maoshuan; Gao Zhanrong; Yao Rentai; Jia Peirong; Qiao Qingdang

    1999-01-01

    The author tries to develop a new model calculating annual mean atmospheric dispersion factor for a nuclear power plant to be build in coastal site based on field experiments. This model considers not only the difference between shore ward and off-shore but also the comprehensive effect of following factors: mixed layer and thermal internal boundary layer, mixing release and variation of diffusion parameters due to the distance from coast and so on. The various parameters needed in the model are obtained from the field atmospheric experiments done on the NPP site during 1995∼1996. There dimension joint frequency is got from wind and temperature measurements at 4 heights of a tower of 100 m; diffusion parameters shore ward and off-shore from turbulent measurement and wind tunnel simulation test; the parameters relative to sea and land breeze and thermal internal boundary layer are obtained from tests with low altitude radiosonde and lost balloon at 3 sites during two periods of Summer and Winter. Finally a comparison of the results given by this model and commonly used model provided by relative guides is done. The comparison shows that about 1 times under estimation is found for the maximum of annual mean atmospheric dispersion factor in common model because the effect from thermal internal boundary layer and other factors are neglected

  16. Experimental Results and Model Calculations of a Hybrid Adsorption-Compression Heat Pump Based on a Roots Compressor and Silica Gel-Water Sorption

    Energy Technology Data Exchange (ETDEWEB)

    Van der Pal, M.; De Boer, R.; Wemmers, A.K.; Smeding, S.F.; Veldhuis, J.B.J.; Lycklama a Nijeholt, J.A.

    2013-10-15

    Thermally driven sorption systems can provide significant energy savings, especially in industrial applications. The driving temperature for operation of such systems limits the operating window and can be a barrier for market-introduction. By adding a compressor, the sorption cycle can be run using lower waste heat temperatures. ECN has recently started the development of such a hybrid heat pump. The final goal is to develop a hybrid heat pump for upgrading lower (<100C) temperature industrial waste heat to above pinch temperatures. The paper presents the first measurements and model calculations of a hybrid heat pump system using a water-silica gel system combined with a Roots type compressor. From the measurements can be seen that the effect of the compressor is dependent on where in the cycle it is placed. When placed between the evaporator and the sorption reactor, it has a considerable larger effect compared to the compressor placed between the sorption reactor and the condenser. The latter hardly improves the performance compared to purely heat-driven operation. This shows the importance of studying the interaction between all components of the system. The model, which shows reasonable correlation with the measurements, could proof to be a valuable tool to determine the optimal hybrid heat pump configuration.

  17. Effects of remedial measures on long term transfer of radiocaesium from soil to agricultural products as calculated from Swedish field experimental data

    International Nuclear Information System (INIS)

    Loensjoe, H.; Rosen, K.; Haak, E.

    1990-01-01

    Extensive studies on the transfer of radiocaesium from soil to agricultural products under long term field conditions have been performed in Sweden since 1961. Effects of various remedial measures to be taken after farm land contamination have been studied in long term microplot experiments, in ploughing experiments and in conventional field experiments in Chernobyl fallout areas. Furthermore, the transfer of radiocaesium in various farm ecosystems, as influenced by farm management practices and the line of production applied, has been calculated. Fertilization with potassium has been found to effectively reduce the transfer of radiocaesium from the soil to various crops. The best effects were found on peat and sandy soils in the Chernobyl fallout areas, where a reduction by a factor of 2-5 or more has been recorded. Also, on clay soils heavy K application was found to depress the Cs transfer appreciably. Placement of the nuclide below the normal ploughing depth reduced the Cs transfer by a factor of 2-3 as compared with the effect of a homogeneous distribution in the plough layer. With a combination of deep placement and K fertilization a reduction by a factor of 10 or more has been obtained. It seems possible to reduce the caesium transfer from soil to food by a factor of 5-10 by changing the line of production on a farm in various ways. (author). 12 refs, 5 tabs

  18. Regional variations in upper mantle compressional velocities beneath southern California 1. Post-shock temperatures: Their experimental determination, calculation, and implications, 2.. Ph.D. Thesis

    Science.gov (United States)

    Raikes, S. A.

    1978-01-01

    The compressional velocity within the upper mantle beneath Southern California is investigated through observations of the dependence of teleseismic P-delays at all stations of the array on the distance and azimuth to the event. The variation of residuals with azimuth was found to be as large as 1.3 sec at a single station; the delays were stable as a function of time, and no evidence was found for temporal velocity variations related to seismic activity in the area. These delays were used in the construction of models for the upper mantle P-velocity structure to depths of 150 km, both by ray tracing and inversion techniques. The models exhibit considerable lateral heterogeneity including a region of low velocity beneath the Imperial Valley, and regions of increased velocity beneath the Sierra Nevada and much of the Transverse Ranges. The development is described of a technique for the experimental determination of post-shock temperatures, and its application to several metals and silicates shocked to pressures in the range 5 to 30 GPa. The technique utilizes an infra-red radiation detector to determine the brightness temperature of the free surface of the sample after the shock wave has passed through it.

  19. Benchmark experiments on a lead reflected system and calculations on the geometry of the experimental facility using most of the commonly available nuclear data libraries

    International Nuclear Information System (INIS)

    Guillemot, M.; Colomb, G.

    1985-01-01

    A series of criticality benchmark experiments with a small LWR-type core, reflected by 30 cm of lead, was defined jointly by SEC (Service d'Etude de Criticite), Fontenay-aux-Roses, and SRD (Safety and Reliability Directorate). These experiments are very representative of the reflecting effect of lead, since the contribution of the lead to the reactivity was assessed as about 30% in Δ K. The experiments were carried out by SRSC (Service de Recherche en Surete et Criticite), Valduc, in December 1983 in the sub-critical facility called APPARATUS B. In addition, they confirmed and measured the effect on reactivity of a water gap between the core and the lead reflector; with a water gap of less than 1 cm, the reactivity can be greater than that of the core directly reflected the lead or by over 20 cm of water. The experimental results were to a large extent made use of by SRD with the aid of the MONK Monte Carlo code and to some extent by SEC with the aid of the MORET Monte Carlo Code. All the results obtained are presented in the summary tables. These experiments allowed to compare the different libraries of cross sections available

  20. Experimental studies to validate model calculations and maximum solubility limits for Plutonium and Americium; Experimentelle Arbeiten zur Absicherung von Modellrechnungen und Maximalkonzentrationen fuer Plutonium und Americium

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2017-02-16

    This report focuses on studies of KIT-INE to derive a significantly improved description of the chemical behaviour of Americium and Plutonium in saline NaCl, MgCl{sub 2} and CaCl{sub 2} brine systems. The studies are based on new experimental data and aim at deriving reliable Am and Pu solubility limits for the investigated systems as well as deriving comprehensive thermodynamic model descriptions. Both aspects are of high relevance in the context of potential source term estimations for Americium and Plutonium in aqueous brine systems and related scenarios. Americium and Plutonium are long-lived alpha emitting radionuclides which due to their high radiotoxicity need to be accounted for in a reliable and traceable way. The hydrolysis of trivalent actinides and the effect of highly alkaline pH conditions on the solubility of trivalent actinides in calcium chloride rich brine solutions were investigated and a thermodynamic model derived. The solubility of Plutonium in saline brine systems was studied under reducing and non-reducing conditions and is described within a new thermodynamic model. The influence of dissolved carbonate on Americium and Plutonium solubility in MgCl{sub 2} solutions was investigated and quantitative information on Am and Pu solubility limits in these systems derived. Thermodynamic constants and model parameter derived in this work are implemented in the Thermodynamic Reference Database THEREDA owned by BfS. According to the quality assurance approach in THEREDA, is was necessary to publish parts of this work in peer-reviewed scientific journals. The publications are focused on solubility experiments, spectroscopy of aquatic and solid species and thermodynamic data. (Neck et al., Pure Appl. Chem., Vol. 81, (2009), pp. 1555-1568., Altmaier et al., Radiochimica Acta, 97, (2009), pp. 187-192., Altmaier et al., Actinide Research Quarterly, No 2., (2011), pp. 29-32.).

  1. Experimental determination of new statistical correlations for the calculation of the heat transfer coefficient by convection for flat plates, cylinders and tube banks

    Directory of Open Access Journals (Sweden)

    Ismael Fernando Meza Castro

    2017-07-01

    Full Text Available Introduction: This project carried out an experimental research with the design, assembly, and commissioning of a convection heat transfer test bench. Objective: To determine new statistical correlations that allow knowing the heat transfer coefficients by air convection with greater accuracy in applications with different heating geometry configurations. Methodology: Three geometric configurations, such as flat plate, cylinders and tube banks were studied according to their physical properties through Reynolds and Prandtl numbers, using a data transmission interface using Arduino® controllers Measured the air temperature through the duct to obtain real-time data and to relate the heat transferred from the heating element to the fluid and to perform mathematical modeling in specialized statistical software. The study was made for the three geometries mentioned, one power per heating element and two air velocities with 10 repetitions. Results: Three mathematical correlations were obtained with regression coefficients greater than 0.972, one for each heating element, obtaining prediction errors in the heat transfer convective coefficients of 7.50% for the flat plate, 2.85% for the plate Cylindrical and 1.57% for the tube bank. Conclusions: It was observed that in geometries constituted by several individual elements, a much more accurate statistical adjustment was obtained to predict the behavior of the convection heat coefficients, since each unit reaches a stability in the surface temperature profile with Greater speed, giving the geometry in general, a more precise measurement of the parameters that govern the transfer of heat, as it is in the case of the geometry of the tube bank.

  2. Importance of the Electron Correlation and Dispersion Corrections in Calculations Involving Enamines, Hemiaminals, and Aminals. Comparison of B3LYP, M06-2X, MP2, and CCSD Results with Experimental Data.

    Science.gov (United States)

    Castro-Alvarez, Alejandro; Carneros, Héctor; Sánchez, Dani; Vilarrasa, Jaume

    2015-12-18

    While B3LYP, M06-2X, and MP2 calculations predict the ΔG° values for exchange equilibria between enamines and ketones with similar acceptable accuracy, the M06-2X/6-311+G(d,p) and MP2/6-311+G(d,p) methods are required for enamine formation reactions (for example, for enamine 5a, arising from 3-methylbutanal and pyrrolidine). Stronger disagreement was observed when calculated energies of hemiaminals (N,O-acetals) and aminals (N,N-acetals) were compared with experimental equilibrium constants, which are reported here for the first time. Although it is known that the B3LYP method does not provide a good description of the London dispersion forces, while M06-2X and MP2 may overestimate them, it is shown here how large the gaps are and that at least single-point calculations at the CCSD(T)/6-31+G(d) level should be used for these reaction intermediates; CCSD(T)/6-31+G(d) and CCSD(T)/6-311+G(d,p) calculations afford ΔG° values in some cases quite close to MP2/6-311+G(d,p) while in others closer to M06-2X/6-311+G(d,p). The effect of solvents is similarly predicted by the SMD, CPCM, and IEFPCM approaches (with energy differences below 1 kcal/mol).

  3. 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.)

  4. Experimental studies and nuclear model calculations on proton-induced reactions on $^{nat}$Se, $^{76}$Se and $^{77}$Se with particular reference to the production of the medically interesting radionuclides $^{76}$Br and $^{77}$Br

    CERN Document Server

    Hassan, H E; Coenen, H H; Morsy, M; Qaim, S M; Shubin, Yu; 10.1016/j.apradiso.2004.02.001

    2004-01-01

    Excitation functions of the reactions /sup nat/Se(p, x)/sup 75,76,77,82/Br, /sup 76/Se(p, xn)/sup 75,76/Br, /sup 76/Se(p, x)/sup 75/Se and /sup 77/Se(p, xn)/sup 76,77/Br were measured from their respective thresholds up to 40 MeV, with particular emphasis on data for the production of the medically important radionuclides /sup 76 /Br and /sup 77/Br. The conventional stacked-foil technique was used. The samples were prepared by a sedimentation process. Irradiations were performed using the compact cyclotron CV 28 and the injector of COSY, both at the Research Centre Julich. In order to validate the data, nuclear model calculations were performed using the code ALICE- IPPE which is based on the preequilibrium-evaporation model. Good agreement was found between the experimental and theoretical data, except in the high-energy region where the calculated data were somewhat higher. All the measured excitation curves were compared with the data available in the literature. From the experimental data the theoretical ...

  5. Experimental determination of the lifetimes and parities of the Yrast states of 60Ni. Study of shape

    International Nuclear Information System (INIS)

    Moyat, M.-G.

    1978-01-01

    The two methods used to measure the lifetimes of the Yrast states of 60 Ni are described: the Doppler attenuation method (line deformation) and the recoil range method. The lifetimes obtained for the levels at 2505, 4262, 5345 and 6807 keV are given, together with the transition probabilities inferred. The parities of the 60 Ni high-spin levels measured by the linear polarization method are also given. Finally the recent theoretical approaches relating to the shapes of the nuclei are outlined: K. Kuman's deformed quasi-particle model and the interaction boson approximation of A. Arima and F. Iachello [fr

  6. Local approach: fracture at high temperature in an austenitic stainless steel submitted to thermomechanical loadings. Calculations and experimental validations; Approche locale: fissuration a haute temperature dans un acier inoxydable austenitique sous chargements thermomecaniques. Simulations numeriques et validations experimentales

    Energy Technology Data Exchange (ETDEWEB)

    Poquillon, D

    1997-10-01

    Usually, for the integrity assessment of defective components, well established rules are used: global approach to fracture. A more fundamental way to deal with these problems is based on the local approach to fracture. In this study, we choose this way and we perform numerical simulations of intergranular crack initiation and intergranular crack propagation. This type of damage can be find in components of fast breeder reactors in 316 L austenitic stainless steel which operate at high temperatures. This study deals with methods coupling partly the behaviour and the damage for crack growth in specimens submitted to various thermomechanical loadings. A new numerical method based on finite element computations and a damage model relying on quantitative observations of grain boundary damage is proposed. Numerical results of crack initiation and growth are compared with a number of experimental data obtained in previous studies. Creep and creep-fatigue crack growth are studied. Various specimen geometries are considered: compact Tension Specimens and axisymmetric notched bars tested under isothermal (600 deg C) conditions and tubular structures containing a circumferential notch tested under thermal shock. Adaptative re-meshing technique and/or node release technique are used and compared. In order to broaden our knowledge on stress triaxiality effects on creep intergranular damage, new experiments are defined and conducted on sharply notched tubular specimens in torsion. These isothermal (600 deg C) Mode II creep tests reveal severe intergranular damage and creep crack initiation. Calculated damage fields at the crack tip are compared with the experimental observations. The good agreement between calculations and experimental data shows the damage criterion used can improve the accuracy of life prediction of components submitted to intergranular creep damage. (author) 200 refs.

  7. Low-lying (K π= 0+) states of gadolinium isotopes

    Indian Academy of Sciences (India)

    The sd-interacting boson approximation (sd-IBA) and the df-interacting boson approximation (df-IBA) can be related to each other and the states of the interacting boson approximation model can be identified with the fully symmetric states in the sdf interacting boson approximation model. A systematic study of the sdf-IBA ...

  8. Methodological developments and qualification of calculation schemes for the modelling of photonic heating in the experimental devices of the future Jules Horowitz material testing reactor (RJH); Developpements methodologiques et qualification de schemas de calcul pour la modelisation des echauffements photoniques dans les dispositifs experimentaux du futur reacteur d'irradiation technologiques Jules Horowitz (RJH)

    Energy Technology Data Exchange (ETDEWEB)

    Blanchet, D

    2006-07-01

    The objective of this work is to develop the modelling of the nuclear heating of the experimental devices of the future Jules Horowitz material testing reactor (RJH). The strong specific nuclear power produced (460 kW/l), induces so intense photonic fluxes which cause heating and large temperature gradients that it is necessary to control it by an adequate design. However, calculations of heating are penalized by the very large uncertainties estimated at a value of about 30% (2*{sigma}) coming from the gaps and uncertainties of the data of gamma emission present in the libraries of basic nuclear data. The experimental program ADAPh aims at reducing these uncertainties. Measurements by thermoluminescent detectors (TLD) and ionisation chambers are carried out in the critical assemblies EOLE (Mox) and Minerve (UO{sub 2}). The rigorous interpretation of these measurements requires specific developments based on Monte-Carlo simulations of coupled neutron-gamma and gamma-electron transport. The developments carried out are made different in particular by the modelling of cavities phenomena and delayed gamma emissions by the decay of fission products. The comparisons calculation-measurement made it possible to identify a systematic bias confirming a tendency of calculations to underestimate measurements. A Bayesian method of adjustment was developed in order to re-estimate the principal components of the gamma heating and to transpose the results obtained to the devices of the RJH, under conditions clearly and definitely representative. This work made possible to reduce significantly the uncertainties on the determination of the gamma heating from 30 to 15 per cent. (author)

  9. Methodological developments and qualification of calculation schemes for the modelling of photonic heating in the experimental devices of the future Jules Horowitz material testing reactor (RJH); Developpements methodologiques et qualification de schemas de calcul pour la modelisation des echauffements photoniques dans les dispositifs experimentaux du futur reacteur d'irradiation technologiques Jules Horowitz (RJH)

    Energy Technology Data Exchange (ETDEWEB)

    Blanchet, D

    2006-07-01

    The objective of this work is to develop the modelling of the nuclear heating of the experimental devices of the future Jules Horowitz material testing reactor (RJH). The strong specific nuclear power produced (460 kW/l), induces so intense photonic fluxes which cause heating and large temperature gradients that it is necessary to control it by an adequate design. However, calculations of heating are penalized by the very large uncertainties estimated at a value of about 30% (2*{sigma}) coming from the gaps and uncertainties of the data of gamma emission present in the libraries of basic nuclear data. The experimental program ADAPh aims at reducing these uncertainties. Measurements by thermoluminescent detectors (TLD) and ionisation chambers are carried out in the critical assemblies EOLE (Mox) and Minerve (UO{sub 2}). The rigorous interpretation of these measurements requires specific developments based on Monte-Carlo simulations of coupled neutron-gamma and gamma-electron transport. The developments carried out are made different in particular by the modelling of cavities phenomena and delayed gamma emissions by the decay of fission products. The comparisons calculation-measurement made it possible to identify a systematic bias confirming a tendency of calculations to underestimate measurements. A Bayesian method of adjustment was developed in order to re-estimate the principal components of the gamma heating and to transpose the results obtained to the devices of the RJH, under conditions clearly and definitely representative. This work made possible to reduce significantly the uncertainties on the determination of the gamma heating from 30 to 15 per cent. (author)

  10. Microstructure and mechanical properties of Sn-9Zn-xAl2O3 nanoparticles (x=0–1) lead-free solder alloy: First-principles calculation and experimental research

    International Nuclear Information System (INIS)

    Xing, Wen-qing; Yu, Xin-ye; Li, Heng; Ma, Le; Zuo, Wei; Dong, Peng; Wang, Wen-xian; Ding, Min

    2016-01-01

    This paper studies microstructure and mechanical properties of Sn-9Zn-x Al 2 O 3 nanoparticles (x=0–1) lead-free solder alloy. The interface structure, interface energy and electronic properties of Al 2 O 3 /Sn9Zn interface are investigated by first-principle calculation. On the experimental part, in comparison with the plain Sn-9Zn solder, the Al 2 O 3 nanoparticles incorporated into the solder matrix can inhibit the growth of coarse dendrite Sn-Zn eutectic structure and refine grains of the composite solders during the solidification process of the alloys. Moreover, the microhardness and average tensile strength of the solders with addition of Al 2 O 3 nanoparticles increased with the increasing weight percentages of Al 2 O 3 nanoparticles. These improved mechanical properties can be attributed to the microstructure developments and the dispersed Al 2 O 3 nanoparticles.

  11. Calculation and measurement of the uranium temperature during irradiation in the experimental channel in the reflector of the RA reactor - Annex 15; Prilog 15 - Proracun i merenje temperature urana pri ozracivanju u eksperimentalnom kanalu reflektora na reaktoru RA

    Energy Technology Data Exchange (ETDEWEB)

    Nikolic, M; Strugar, P; Mitrovic, S [Institute of Nuclear Sciences Boris Kidric, Reaktor RA, Vinca, Beograd (Serbia and Montenegro)

    1964-12-15

    Upon demand of the Laboratory for fuel reprocessing, six domestic metal uranium pellets were exposed to neutron flux ( 4 - 5 10{sup 12} n cm{sup -2} sec {sup -1}) in the RA reactor. Irradiation of fuel demanded special analyses for safety reasons. Weight of the fuel pellets was 13 - 20 g, having diameter 20 mm. pellets were placed in leak tight aluminium capsules with helium. The irradiation was dome in the aluminium experimental channel in the graphite reflector. Theoretical study has shown that the expected fuel temperature in the core could be up to 300 deg C at nominal power. For that reason temperature of the capsule with the uranium sample was measured during irradiation by using thermocouples. Results showed the discrepancy between measure and calculated values to be about 30%.

  12. 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

  13. 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.)

  14. Global nuclear-structure calculations

    International Nuclear Information System (INIS)

    Moeller, P.; Nix, J.R.

    1990-01-01

    The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to ε 2 and ε 4 used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and Β-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential

  15. Experimental and first-principles calculation study of the pressure-induced transitions to a metastable phase in GaP O4 and in the solid solution AlP O4-GaP O4

    Science.gov (United States)

    Angot, E.; Huang, B.; Levelut, C.; Le Parc, R.; Hermet, P.; Pereira, A. S.; Aquilanti, G.; Frapper, G.; Cambon, O.; Haines, J.

    2017-08-01

    α -Quartz-type gallium phosphate and representative compositions in the AlP O4-GaP O4 solid solution were studied by x-ray powder diffraction and absorption spectroscopy, Raman scattering, and by first-principles calculations up to pressures of close to 30 GPa. A phase transition to a metastable orthorhombic high-pressure phase along with some of the stable orthorhombic C m c m CrV O4 -type material is found to occur beginning at 9 GPa at 320 ∘C in GaP O4 . In the case of the AlP O4-GaP O4 solid solution at room temperature, only the metastable orthorhombic phase was obtained above 10 GPa. The possible crystal structures of the high-pressure forms of GaP O4 were predicted from first-principles calculations and the evolutionary algorithm USPEX. A predicted orthorhombic structure with a P m n 21 space group with the gallium in sixfold and phosphorus in fourfold coordination was found to be in the best agreement with the combined experimental data from x-ray diffraction and absorption and Raman spectroscopy. This method is found to very powerful to better understand competition between different phase transition pathways at high pressure.

  16. Experimental studies

    International Nuclear Information System (INIS)

    Cowser, K.E.; Stansbury, P.S.; Poston, J.W.; Deus, S.F.; Chen, W.L.; Roswell, R.L.; Goans, R.E.; Cantrell, J.H. Jr.

    1978-01-01

    Spectral fluence measurements in an adult phantom are reported. A NaI(Tl) probe was used in various locations within the phantom and pulse-height spectra were obtained for seven beam configurations and three generating potentials. Some typical spectra results are presented. A comparison of calculated dose to experimental measurements is presented

  17. 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)

  18. 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...

  19. Calculation of the life-time of thermal neutrons in a heterogeneous moderator: graphite-cadmium. Experimental verification using the pulsed neutrons method; Calcul du temps de vie des neutrons thermiques dans un moderateur heterogene: graphite-cadmium. Verification experimentale par la methode des neutrons pulses

    Energy Technology Data Exchange (ETDEWEB)

    Jean, Lalande [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1964-07-01

    The heterogeneous medium is made up of an oblong assembly consisting 23 cm cells containing a cadmium bar having a diameter of 3.31 cm. The experimental value found for the lattice absorption v{sigma}a = 941 sec{sup -1} is in agreement with the value calculated from a one-group theory for one cell taking d = 2.55 {+-} 0.12 cm for the extrapolation distance in the cadmium rod. (author) [French] Le milieu heterogene est constitue par un assemblage parallelepipedique de cellules carrees de pas 23 cm contenant une barre de cadmium de diametre 3,31 cm. La valeur experimentale trouvee pour l'absorption du reseau v{sigma}a = 941 s{sup -1} concorde avec la valeur calculee par une theorie a un groupe sur une cellule en prenant comme distance d'extrapolation dans la barre de cadmium d = 2,55 {+-} 0,12 cm. (auteur)

  20. 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)

  1. Neutronics calculation of an heterogeneous compact and thermal core by means of deterministic and stochastic transport theory. Application to the experimental reactor of the University of Strasbourg; Modelisation neutronique d`un coeur thermique compact et heterogene en theorie du transport deterministe et probabiliste. Application au reacteur experimental de l`Universite de Strasbourg

    Energy Technology Data Exchange (ETDEWEB)

    Jammes, Ch

    1997-11-28

    The aim of this work is to create, validate theoretically and experimentally a calculation route for a thermal irradiation reactor. This is the research reactor of the University of Strasbourg, which presents all of characteristics of this reactor-type: compact and heterogeneous core, slab-type fuel with a high 235-uranium enrichment. This calculation route is based on the first use of the following two modern transport methods: the TDT method and the Monte Carlo method. The former, programmed within the APOLLO2 code, is a two dimensional collision probabilities method. The later, used by the TRIPOLI4 code, is a stochastic method. Both can be applied to complex geometries. After a few theoretical reminders about transport codes, a set of integral experiments is described which have been realized within the research reactor of the University of Strasbourg. One of them has been performed for this study. At the beginning of the theoretical part, significant errors are apparent due to the use of calculation route based on homogenization, condensation and the diffusion approximation. An extensive comparison between the discrete ordinates method and the TDT method carries out that the use of the TDT method is relevant for the studied reactor. The treatment of axial leakage with this method is the only disadvantage. Therefore, the use of the code TRIPOLI4 is recommended for a more accurate study of leakage within a reflector. By means of the experimental data, the ability of our calculation route is confirmed for essential neutronics questions such as the critical mass determination, the power distribution and the fuel management. (author)

  2. Thermodynamic Database for the Terrestrial and Planetary Mantle Studies: Where we stand, and some future directions involving experimental studies, numerical protocol for EoS and atomistic calculations (Invited)

    Science.gov (United States)

    Ganguly, J.; Tirone, M.; Sorcar, N.

    2013-12-01

    problem of appropriate combination of binary mixing properties in a multicomponent system, and present simplified a-x formalisms for complex multi-site solutions the full-blown treatment of which requires a body of experimental data that are unlikely to be available in the near future. It appears that Cp and the coefficients of thermal expansion and compression of solids could be calculated quite well form density functional theory (DFT) (e.g. 7), so that the future development of databases should not only consider the available DFT data, but also have active involvement in such studies 'to fill the gap' when reliable data are not available. While the current trend in geodynamic modeling is to use thermodynamic properties in tabulated form, more realistic simulations, which we would try to illustrate by examples, would require real-time thermodynamic calculations for evolving bulk compositions; hence the development of a robust yet simple thermodynamic formulation becomes essential. 1. Fabrichnaya et al. (2004), Springer-verlag; 2. Stixrude and Lithgow-Bertelloni, Geophys. J. Int. (2011) 184, 1180-1213. 3. Holland et al. ( 2013) J. Petrol. 4. Report, Geomaterials Genome Project, March 19-23, 2013, Miami, Florida, NSF Geoinformatics program. 5. Ferreira et al. (1988) Phys Rev B, 37, 10547-10570; 6. Ganguly et al. (1993) Amer Min 78, 583-593 7. Ottonello et a. (2009) PCM 36, 87-106

  3. Evaluation of the shield calculation adequacy of radiotherapy rooms through Monte Carlo Method and experimental measures; Avaliacao da adequacao do calculo de blindagens de salas de radioterapia atraves do metodo de Monte Carlos e medidas experimentais

    Energy Technology Data Exchange (ETDEWEB)

    Meireles, Ramiro Conceicao

    2016-07-01

    The shielding calculation methodology for radiotherapy services adopted in Brazil and in several countries is that described in publication 151 of the National Council on Radiation Protection and Measurements (NCRP 151). This methodology however, markedly employs several approaches that can impact both in the construction cost and in the radiological safety of the facility. Although this methodology is currently well established by the high level of use, some parameters employed in the calculation methodology did not undergo to a detailed assessment to evaluate the impact of the various approaches considered. In this work the MCNP5 Monte Carlo code was used with the purpose of evaluating the above mentioned approaches. TVLs values were obtained for photons in conventional concrete (2.35g / cm{sup 3}), considering the energies of 6, 10 and 25 MeV, respectively, first considering an isotropic radiation source impinging perpendicular to the barriers, and subsequently a lead head shielding emitting a shaped beam, in the format of a pyramid trunk. Primary barriers safety margins, taking in account the head shielding emitting photon beam pyramid-shaped in the energies of 6, 10, 15 and 18 MeV were assessed. A study was conducted considering the attenuation provided by the patient's body in the energies of 6,10, 15 and 18 MeV, leading to new attenuation factors. Experimental measurements were performed in a real radiotherapy room, in order to map the leakage radiation emitted by the accelerator head shielding and the results obtained were employed in the Monte Carlo simulation, as well as to validate the entire study. The study results indicate that the TVLs values provided by (NCRP, 2005) show discrepancies in comparison with the values obtained by simulation and that there may be some barriers that are calculated with insufficient thickness. Furthermore, the simulation results show that the additional safety margins considered when calculating the width of the

  4. 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...

  5. Alecto 1 - criticality experiment on a solution of plutonium and of uranium 235. Experimental results and calculations on tank number 2 ({phi} 300 mm); Alecto 1 - experience de criticite sur une solution de plutonium et d'uranium enrichi a 90 pour cent. Resultats experimentaux et calculs concernant la cuve no. 2 ({phi} = 300 mm)

    Energy Technology Data Exchange (ETDEWEB)

    Bruna, J G; Brunet, J P; Clouet D' Orval, Ch; Kremser, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1964-07-01

    Experiments on plutonium and 90 pour cent enriched uranium solutions have been made in the Alecto reactor with a tank of external diameter 300 mm. Various geometries Lave been tested, for variable concentrations of fissionable salts. The critical mass was studied as a function of the concentration in various reflector conditions (water, concrete, wood) and the experimental values were compared with calculated values. The effects of cadmium as a reflector and of the stainless steel tank were also studied. Lastly were carried out measurements of {beta}/{tau}, ratio of the effective fraction of delayed neutrons to the average lifetime of the neutrons in the reactor. (authors) [French] Des experiences sur des solutions de plutonium et d'uranium enrichi a 90 pour cent ont ete effectuees dans le reacteur Alecto, avec une cuve de diametre exterieur 300 mm. Diverses configurations geometriques ont ete realisees, pour des concentrations variables du sel fissile. On a etudie la masse critique en fonction de la concentration, dans plusieurs conditions de reflexion (eau, beton, bois), et on a compare les resultats experimentaux aux valeurs donnees par le calcul. On a egalement etudie l'influence du cadmium comme reflecteur et celle de la cuve d'acier inoxydable. Enfin on a effectue des mesures de {beta}/{tau}, rapport de la proportion effective des neutrons retardes au temps de vie moyen des neutrons dans la pile. (auteurs)

  6. CALCULATION AND EXPERIMENTAL ESTIMATION OF RESULTS OF ELECTRO-THERMAL ACTION OF RATIONED BY THE INTERNATIONAL STANDARD IEC 62305-1-2010 IMPULSE CURRENT OF SHORT BLOW OF ARTIFICIAL LIGHTNING ON THE THIN-WALLED COVERAGE FROM STAINLESS STEEL

    Directory of Open Access Journals (Sweden)

    M. I. Baranov

    2017-03-01

    Full Text Available Purpose. Calculation and experimental researches of electro-thermal resistibility of the pre-production thin-walled sheet models of outward roof of height technical buildings from stainless steel are easily soiled 12Х18Н10Т to direct action on them rationed by the International Standard IEC 62305-1-2010 aperiodic impulse of current of short bow of artificial lightning of temporal form 10/350 μs with the proper admittances on his peak-temporal parameters (PTP. Methodology. Electrophysics bases of technique of high voltage and large impulsive currents (LIC, and also scientific and technical bases of planning of high-voltage impulsive devices and measuring methods in them LIC with followings below extreme PTP: amplitude of impulse of current of ImL=200 кА (with admittance ±10 %; integral of action of impulse of current of JL=10·106 A2·s (with admittance ±35 %; %; duration of wavefront current of T1=10 μs (with admittance ±20 %; time, proper amplitude of impulse of current of ImL, tmL≤24 μs (with admittance ±20 %; duration of flowing of impulse of current of T2=350 μs (with admittance ±10 %. Results. The results of evaluation calculation and experimental researches of electro-thermal resistibility of the indicated pre-production sheet models are resulted measuring in the plan of 0,5 x 0,5 m from stainless steel are easily soiled the 12Х18Н10Т thickness of 1 mm to action on them of aperiodic impulse of current of short blow of artificial lightning with rationed PTP on the requirements of the International Standard IEC 62305-1-2010. In high current experiments amplitude of ImL of the aperiodic rationed impulse of current of artificial lightning of temporal form of T1/T2=15 μs/315 μs changed in the range of (100-184 кА. The integral of action of JL of impulse of current for I-IV of levels of protection of lightning of technical objects (TO numeral made from 2,32·106 А2·s to 7,88·106 А2·s, and the flowing through the

  7. Thermodynamic calculation and an experimental study of the combustion synthesis of (Mo{sub 1−x}Nb{sub x})Si{sub 2} (0 ⩽ x ⩽ 1)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaohong, E-mail: matinbow@163.com; Lu, Qiong; Wu, Guangzhi; Shi, Jialing; Sun, Zhi

    2015-08-25

    Highlights: • (Mo{sub 1−x}Nb{sub x})Si{sub 2} alloys were synthesized by a simple and energy-saving process of SHS. • Theoretical adiabatic temperature of (Mo{sub 1−x}Nb{sub x})Si{sub 2} was calculated for the first time. • The variation of the actual temperature is consistent with theoretical temperature. - Abstract: The theoretical adiabatic temperature of (Mo{sub 1−x}Nb{sub x})Si{sub 2} (0 ⩽ x ⩽ 1) is calculated. The results indicate that the theoretical adiabatic temperature of (Mo{sub 1−x}Nb{sub x})Si{sub 2} increases with an increasing Nb content when (Mo{sub 1−x}Nb{sub x})Si{sub 2} is of a single-phase structure, but decreases with an increasing Nb content when (Mo{sub 1−x}Nb{sub x})Si{sub 2} is of a double-phase structure. All of the temperatures are higher than 1800 K, indicating that (Mo{sub 1−x}Nb{sub x})Si{sub 2} (0 ⩽ x ⩽ 1) can be prepared by the combustion synthesis method. In this work, (Mo{sub 1−x}Nb{sub x})Si{sub 2} (0 ⩽ x ⩽ 1) alloys are successfully synthesized by the combustion synthesis process from elemental powders of Mo, Nb, and Si. The highest combustion temperature and combustion product structure are studied. The results confirm that the variation of the experimental maximum combustion temperature of (Mo{sub 1−x}Nb{sub x})Si{sub 2} is consistent with that of the theoretical adiabatic temperature. The combustion products are non-equilibrium species, and a supersaturated solid solution of C11{sub b} type (Mo{sub 1−x}Nb{sub x})Si{sub 2} forms during combustion synthesis.

  8. The beam-kicker system of the synchrotron Saturne. Magnetic field and particle orbit computations. Experimental results (1963); Le percuteur de faisceau de Saturne. Calcul du champ magnetique et des trajectoires. Verifications experimentales (1963)

    Energy Technology Data Exchange (ETDEWEB)

    Gouttefangeas, M; Katz, A; Rastoix, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1963-07-01

    In this report is briefly described the beam-kicker system of the synchrotron Saturne. An analysis of its operation based on the sampling method is given, as well as two methods for computing toe magnetic field produced by a set of endless conductors in the neighbourhood of a conducting shield where eddy currents are circulating. The first method leads to the resolution of a bi-dimensional Laplace equation with first kind boundary conditions (Dirichlet problem); the second one translates to electromagnetism the electrical images method currently used in electrostatics and yields the magnetic field as the sum of a triple series expansion in the general case of a set of conductors located in a parallelepipedal box. Finally are given the results obtained in computing on IBM 7090 the perturbation of the particle motion due to the beam-kicker. These results are compared with the experimental data. (authors) [French] Ce rapport decrit brievement le dispositif percuteur de faisceau mis en place sur le synchrotron Saturne. On y trouvera une analyse de se fonctionnement a partir de la theorie des echantillonnages. On indique egalment deux methodes de calcul du champ magnetique produit par un system de conducteurs indefinis en presence d'un blindage conducteur parcouru par des courants de Foucault: la premiere se ramene a la resolution d'une equation de Laplace a deux dimensions avec des conditions aux limites de premiere espece (probleme de Dirichlet), la seconde transpose en electromagnetisme la methode des images electriques classique en electrostatique et permet d'exprimer le champ magnetique sous la forme de la somme d'une serie triple dans le cas general d'un systeme de conducteurs contenus dans un blindage parallelepipedique. Pour terminer, on mentionne les resultats du calcul numerique de la perturbation de la trajectoire des particules sous l'effet du percuteur et on compare ces resultats aux resultats experimentaux. (auteurs)

  9. Ant-App-DB: a smart solution for monitoring arthropods activities, experimental data management and solar calculations without GPS in behavioral field studies [v3; ref status: indexed, http://f1000r.es/5dm

    Directory of Open Access Journals (Sweden)

    Zeeshan Ahmed

    2015-05-01

    Full Text Available Field studies on arthropod ecology and behaviour require simple and robust monitoring tools, preferably with direct access to an integrated database. We have developed and here present a database tool allowing smart-phone based monitoring of arthropods. This smart phone application provides an easy solution to collect, manage and process the data in the field which has been a very difficult task for field biologists using traditional methods. To monitor our example species, the desert ant Cataglyphis fortis, we considered behavior, nest search runs, feeding habits and path segmentations including detailed information on solar position and azimuth calculation, ant orientation and time of day. For this we established a user friendly database system integrating the Ant-App-DB with a smart phone and tablet application, combining experimental data manipulation with data management and providing solar position and timing estimations without any GPS or GIS system. Moreover, the new desktop application Dataplus allows efficient data extraction and conversion from smart phone application to personal computers, for further ecological data analysis and sharing. All features, software code and database as well as Dataplus application are made available completely free of charge and sufficiently generic to be easily adapted to other field monitoring studies on arthropods or other migratory organisms. The software applications Ant-App-DB and Dataplus described here are developed using the Android SDK, Java, XML, C# and SQLite Database.

  10. Ant-App-DB: a smart solution for monitoring arthropods activities, experimental data management and solar calculations without GPS in behavioral field studies [v2; ref status: indexed, http://f1000r.es/59a

    Directory of Open Access Journals (Sweden)

    Zeeshan Ahmed

    2015-04-01

    Full Text Available Field studies on arthropod ecology and behaviour require simple and robust monitoring tools, preferably with direct access to an integrated database. We have developed and here present a database tool allowing smart-phone based monitoring of arthropods. This smart phone application provides an easy solution to collect, manage and process the data in the field which has been a very difficult task for field biologists using traditional methods. To monitor our example species, the desert ant Cataglyphis fortis, we considered behavior, nest search runs, feeding habits and path segmentations including detailed information on solar position and Azimuth calculation, ant orientation and time of day. For this we established a user friendly database system integrating the Ant-App-DB with a smart phone and tablet application, combining experimental data manipulation with data management and providing solar position and timing estimations without any GPS or GIS system. Moreover, the new desktop application Dataplus allows efficient data extraction and conversion from smart phone application to personal computers, for further ecological data analysis and sharing. All features, software code and database as well as Dataplus application are made available completely free of charge and sufficiently generic to be easily adapted to other field monitoring studies on arthropods or other migratory organisms. The software applications Ant-App-DB and Dataplus described here are developed using the Android SDK, Java, XML, C# and SQLite Database.

  11. Microstructure and mechanical properties of Sn-9Zn-xAl{sub 2}O{sub 3} nanoparticles (x=0–1) lead-free solder alloy: First-principles calculation and experimental research

    Energy Technology Data Exchange (ETDEWEB)

    Xing, Wen-qing; Yu, Xin-ye; Li, Heng; Ma, Le; Zuo, Wei [Taiyuan University of Technology, College of Material Science and Technology, Taiyuan 030024 (China); Dong, Peng; Wang, Wen-xian [Taiyuan University of Technology, College of Material Science and Technology, Taiyuan 030024 (China); Shanxi Key Laboratory of Advanced Magnesium-based Materials, Taiyuan 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China); Ding, Min, E-mail: dingmin@tyut.edu.cn [Taiyuan University of Technology, College of Material Science and Technology, Taiyuan 030024 (China); Shanxi Key Laboratory of Advanced Magnesium-based Materials, Taiyuan 030024 (China); Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Technology, Taiyuan 030024 (China)

    2016-12-15

    This paper studies microstructure and mechanical properties of Sn-9Zn-x Al{sub 2}O{sub 3} nanoparticles (x=0–1) lead-free solder alloy. The interface structure, interface energy and electronic properties of Al{sub 2}O{sub 3}/Sn9Zn interface are investigated by first-principle calculation. On the experimental part, in comparison with the plain Sn-9Zn solder, the Al{sub 2}O{sub 3} nanoparticles incorporated into the solder matrix can inhibit the growth of coarse dendrite Sn-Zn eutectic structure and refine grains of the composite solders during the solidification process of the alloys. Moreover, the microhardness and average tensile strength of the solders with addition of Al{sub 2}O{sub 3} nanoparticles increased with the increasing weight percentages of Al{sub 2}O{sub 3} nanoparticles. These improved mechanical properties can be attributed to the microstructure developments and the dispersed Al{sub 2}O{sub 3} nanoparticles.

  12. Microscopic determination of leading terms of the interaction Hamiltonian between sd- and g-parts in the sdg IBM

    International Nuclear Information System (INIS)

    Zhang Zhanjun; Liu Yong; Sang Jianping

    1995-01-01

    Starting from one of the microscopic sdg interacting boson approximations, the leading terms in the interaction Hamiltonian are discussed by using numerical investigations. Comparisons of both the calculated levels and the overlap of wave functions between the exact results and the approximations are made to find out negligible part in the Hamiltonian. The results show that the leading terms given may provide a way to simplify the complex calculations

  13. 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)

  14. Photo release of nitrous oxide from the hyponitrite ion studied by infrared spectroscopy. Evidence for the generation of a cobalt-N2O complex. Experimental and DFT calculations.

    Science.gov (United States)

    Chacón Villalba, M Elizabeth; Franca, Carlos A; Güida, Jorge A

    2017-04-05

    The solid state photolysis of sodium, silver and thallium hyponitrite (M 2 N 2 O 2 , M=Na, Ag, Tl) salts and a binuclear complex of cobalt bridged by hyponitrite ([Co(NH 3 ) 5 -N(O)-NO-Co(NH 3 ) 5 ] 4+ ) were studied by irradiation with visible and UV light in the electronic absorption region. The UV-visible spectra for free hyponitrite ion and binuclear complex of cobalt were interpreted in terms of Density Functional Theory calculations in order to explain photolysis behavior. The photolysis of each compound depends selectively on the irradiation wavelength. Irradiation with 340-460nm light and with the 488nm laser line generates photolysis only in silver and thallium hyponitrite salts, while 253.7nm light photolyzed all the studied compounds. Infrared spectroscopy was used to follow the photolysis process and to identify the generated products. Remarkably, gaseous N 2 O was detected after photolysis in the infrared spectra of sodium, silver, and thallium hyponitrite KBr pellets. The spectra for [Co(NH 3 ) 5 -N(O)-NO-Co(NH 3 ) 5 ] 4+ suggest that one cobalt ion remains bonded to N 2 O from which the generation of a [(NH 3 ) 5 CoNNO] +3 complex is inferred. Density Functional Theory (DFT) based calculations confirm the stability of this last complex and provide the theoretical data which are used in the interpretation of the electronic spectra of the hyponitrite ion and the cobalt binuclear complex and thus in the elucidation of their photolysis behavior. Carbonate ion is also detected after photolysis in all studied compounds, presumably due to the reaction of atmospheric CO 2 with the microcrystal surface reaction products. Kinetic measurements for the photolysis of the binuclear complex suggest a first order law for the intensity decay of the hyponitrite IR bands and for the intensity increase in the N 2 O generation. Predicted and experimental data are in very good agreement. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Metal alkyls programmed to generate metal alkylidenes by α-H abstraction: prognosis from NMR chemical shift† †Electronic supplementary information (ESI) available: Experimental and computational details, NMR spectra, results of NMR calculations and NCS analysis, graphical representation of shielding tensors, molecular orbital diagrams of selected compounds, optimized structures for all calculated species. See DOI: 10.1039/c7sc05039a

    Science.gov (United States)

    Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru

    2018-01-01

    Metal alkylidenes, which are key organometallic intermediates in reactions such as olefination or alkene and alkane metathesis, are typically generated from metal dialkyl compounds [M](CH2R)2 that show distinctively deshielded chemical shifts for their α-carbons. Experimental solid-state NMR measurements combined with DFT/ZORA calculations and a chemical shift tensor analysis reveal that this remarkable deshielding originates from an empty metal d-orbital oriented in the M–Cα–Cα′ plane, interacting with the Cα p-orbital lying in the same plane. This π-type interaction inscribes some alkylidene character into Cα that favors alkylidene generation via α-H abstraction. The extent of the deshielding and the anisotropy of the alkyl chemical shift tensors distinguishes [M](CH2R)2 compounds that form alkylidenes from those that do not, relating the reactivity to molecular orbitals of the respective molecules. The α-carbon chemical shifts and tensor orientations thus predict the reactivity of metal alkyl compounds towards alkylidene generation. PMID:29675237

  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. Shielding calculational system for plutonium

    International Nuclear Information System (INIS)

    Zimmerman, M.G.; Thomsen, D.H.

    1975-08-01

    A computer calculational system has been developed and assembled specifically for calculating dose rates in AEC plutonium fabrication facilities. The system consists of two computer codes and all nuclear data necessary for calculation of neutron and gamma dose rates from plutonium. The codes include the multigroup version of the Battelle Monte Carlo code for solution of general neutron and gamma shielding problems and the PUSHLD code for solution of shielding problems where low energy gamma and x-rays are important. The nuclear data consists of built in neutron and gamma yields and spectra for various plutonium compounds, an automatic calculation of age effects and all cross-sections commonly used. Experimental correlations have been performed to verify portions of the calculational system. (23 tables, 7 figs, 16 refs) (U.S.)

  18. 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

  19. Calculational-experimental examination and ensuring of equipment and pipelines seismic resistance at starting and operating water-cooled and moderated reactor WWER-type NPPs. Final report from 1 November 1994 to 31 October 1995

    International Nuclear Information System (INIS)

    Kaznovski, S.

    1996-01-01

    The method for examination and ensuring of equipment seismic resistance is based on the resonance character of the seismic influence on structures and equipment. Values of natural dynamic characteristics are obtained by using external source for exciting the vibrations of the testing unit. These characteristics with the floor response spectra enabled calculations of the seismic resistance. For tests of Kozloduy NPP equipment a simple shock method was used. The presentation includes the list of inspected equipment. The calculations of the equipment seismic resistance were carried out on the basis of Russian and International standards and demands

  20. 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

  1. Comparison of the rate constants for energy transfer in the light-harvesting protein, C-phycocyanin, calculated from Foerster`s theory and experimentally measured by time-resolved fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Debreczeny, Martin Paul [Univ. of California, Berkeley, CA (United States)

    1994-05-01

    We have measured and assigned rate constants for energy transfer between chromophores in the light-harvesting protein C-phycocyanin (PC), in the monomeric and trimeric aggregation states, isolated from Synechococcus sp. PCC 7002. In order to compare the measured rate constants with those predicted by Fdrster`s theory of inductive resonance in the weak coupling limit, we have experimentally resolved several properties of the three chromophore types ({beta}{sub 155} {alpha}{sub 84}, {beta}{sub 84}) found in PC monomers, including absorption and fluorescence spectra, extinction coefficients, fluorescence quantum yields, and fluorescence lifetimes. The cpcB/C155S mutant, whose PC is missing the {beta}{sub 155} chromophore, was, useful in effecting the resolution of the chromophore properties and in assigning the experimentally observed rate constants for energy transfer to specific pathways.

  2. 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,...

  3. Optimal experimental design with R

    CERN Document Server

    Rasch, Dieter; Verdooren, L R; Gebhardt, Albrecht

    2011-01-01

    Experimental design is often overlooked in the literature of applied and mathematical statistics: statistics is taught and understood as merely a collection of methods for analyzing data. Consequently, experimenters seldom think about optimal design, including prerequisites such as the necessary sample size needed for a precise answer for an experimental question. Providing a concise introduction to experimental design theory, Optimal Experimental Design with R: Introduces the philosophy of experimental design Provides an easy process for constructing experimental designs and calculating necessary sample size using R programs Teaches by example using a custom made R program package: OPDOE Consisting of detailed, data-rich examples, this book introduces experimenters to the philosophy of experimentation, experimental design, and data collection. It gives researchers and statisticians guidance in the construction of optimum experimental designs using R programs, including sample size calculations, hypothesis te...

  4. FIPRED Project - Experiments and calculations

    International Nuclear Information System (INIS)

    Ohai, D.; Dumitrescu, I.; Doca, C.; Meleg, T.; Benga, D.

    2009-01-01

    Full text: The FIPRED (Fission Products Release from Debris Bed) Project was developed by INR in the framework of EC FP6 SARNET (2004-2008) and will be continued in EC FP6 SARNET2 (2009-2013). The project objective is the evaluation of fission product release from debris bed resulted after reactor severe accident by natural UO 2 sintered pellets self disintegration by oxidation. A large experimental program was performed covering the main parameters influencing granulometric distribution of powders (fragments) resulted from UO 2 sintered pellets self disintegration by air oxidation. The paper presents experimental results obtained and material equation obtained by mathematical calculations. (authors)

  5. Generalization of experimental data and development of recommendations for calculating heat transfer of a staggered tube bank with helical and ring extended-surface tubes in a perpendicular gas stream (for new formulation of standard method for boiler heat analyses)

    Energy Technology Data Exchange (ETDEWEB)

    Fomina, V N; Titova, E Ya; Migai, V K; Bystrov, P G; Pis' mennyi, E N [Vsesoyuznyi Teplotekhnicheskii Institut (USSR)

    1991-06-01

    Comparatively evaluates methods for determination of optimum design of extended-surface tubes used in water walls of boilers fired with coal and other fuels in commercial power plants in the USSR. The standard calculation methods introduced in 1973 and other methods developed and tested by individual research institutes of the USSR are described. New and original formulae based on the results of physical and mathematical modeling are evaluated. Heat transfer from flue gases to water walls is analyzed. Arrangement of tube banks, design of extended-surface tubes and other factors that influence heat transfer are considered. Evaluations show that from among the analyzed calculation methods the method developed by the KPI institute is superior to others (it is most accurate and universal). Investigations show that the coefficient of thermal efficiency of the economizers (1st and 2nd stage) of boilers fired with coal amounts to about 0.85. The coefficient considers effects of buildup on the economizer tubes. Use of the method is explained on example of boilers fired with black coal from the Ehkibastuz. 13 refs.

  6. Luminescence of Cr{sup 3+} ions in ZnAl{sub 2}O{sub 4} and MgAl{sub 2}O{sub 4} spinels: correlation between experimental spectroscopic studies and crystal field calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brik, M.G., E-mail: mikhail.brik@ut.ee [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, W. Ostwald Str. 1, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Al. Armii Krajowej 13/15, Czestochowa PL-42200 (Poland); Papan, J.; Jovanović, D.J. [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, Belgrade 11001 (Serbia); Dramićanin, M.D., E-mail: dramican@vinca.rs [University of Belgrade, Vinča Institute of Nuclear Sciences, P.O. Box 522, Belgrade 11001 (Serbia)

    2016-09-15

    Details of preparation, spectroscopic and structural studies along with crystal field calculations for two Cr{sup 3+} doped spinels MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} are given in the present paper. Both compounds show efficient red emission at about 685 nm, which is due to the {sup 2}E{sub g} → {sup 4}A{sub 2g} spin-forbidden transition of Cr{sup 3+} ions located at the sites with D{sub 3d} local symmetry. Analysis of structure of the CrO{sub 6} clusters was performed; comparison of the crystal field effects in both compounds revealed that the low-symmetry splitting of the orbital triplet states is more pronounced in ZnAl{sub 2}O{sub 4}. Both compounds show potential for applications as red-emitting phosphors. - Highlights: • Cr{sup 3+}-doped MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} spinels were synthesized. • Excitation/emission spectra were recorded and analyzed. • Symmetry properties of the Cr-sites were analyzed. • Cr{sup 3+} energy levels in trigonal crystal field were calculated. • Cr{sup 3+}-doped MgAl{sub 2}O{sub 4} and ZnAl{sub 2}O{sub 4} spinels can be used as red phosphors.

  7. 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.)

  8. 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

  9. Experimental autoabsorption curve 90Sr in SrCO3. Efficiency calculation to detection of 90Sr, 90Y and 90Sr + 90Y in a beta gas proportional counter

    International Nuclear Information System (INIS)

    Gasco, C.; Alvarez, A.

    1987-01-01

    Strontium-90 has been determined by radiochemical separation techniques in environmental samples. These techniques, of course, cannot separate the two strontium radionuclides from each other of from stable strontium. Consequently the end product of the chemical separation contains all strontium isotopes in SrCO 3 . The beta particules emitted by 90 Sr are absorbed by the SrCO 3 precipitate. This is the main source of error in the activity measurement. It has been prepared sources of 90 Sr in SrCO 3 in order to determinate the counting efficiency and autoabsorption curve. Also detection efficiencies have been calibrated using known activities of 90 Y and equilibrium mixture of 90 Sr+ 90 Y in the same geometry than our samples. The activity of 90 Sr by ingrowth of 90 Y has been calculated by our computer program. (author). 2 figs., 3 refs

  10. Calculation of magnetic hyperfine constants

    International Nuclear Information System (INIS)

    Bufaical, R.F.; Maffeo, B.; Brandi, H.S.

    1975-01-01

    The magnetic hyperfine constants of the V sub(K) center in CaF 2 , SrF 2 and BaF 2 have been calculated assuming a phenomenological model, based on the F 2 - 'central molucule', to describe the wavefunction of the defect. Calculations have shown that introduction of a small degree of covalence, between this central molecule and neighboring ions, is necessary to improve the electronic structure description of the defect. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of the ions neighboring the central molecule; these relaxations have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different theoretical methods have been used

  11. PHEBUS-FPTO Benchmark calculations

    International Nuclear Information System (INIS)

    Shepherd, I.; Ball, A.; Trambauer, K.; Barbero, F.; Olivar Dominguez, F.; Herranz, L.; Biasi, L.; Fermandjian, J.; Hocke, K.

    1991-01-01

    This report summarizes a set of pre-test predictions made for the first Phebus-FP test, FPT-O. There were many different calculations, performed by various organizations and they represent the first attempt to calculate the whole experimental sequence, from bundle to containment. Quantitative agreement between the various calculations was not good but the particular models in the code responsible for disagreements were mostly identified. A consensus view was formed as to how the test would proceed. It was found that a successful execution of the test will require a different operating procedure than had been assumed here. Critical areas which require close attention are the need to devize a strategy for the power and flow in the bundle that takes account of uncertainties in the modelling and the shroud conductivity and the necessity to develop a reliable method to achieve the desired thermalhydraulic conditions in the containment

  12. Low-lying (K π= 0+) states of gadolinium isotopes

    Indian Academy of Sciences (India)

    The sd-interacting boson approximation (sd-IBA) and the df-interacting boson approximation (df-IBA) can be related to each other and the states of the interacting boson approximation model can ... Proceedings of the International Workshop/Conference on Computational Condensed Matter Physics and Materials Science

  13. On calculation of lattice parameters of refractory metal solid solutions

    International Nuclear Information System (INIS)

    Barsukov, A.D.; Zhuravleva, A.D.; Pedos, A.A.

    1995-01-01

    Technique for calculating lattice periods of solid solutions is suggested. Experimental and calculation values of lattice periods of some solid solutions on the basis of refractory metals (V-Cr, Nb-Zr, Mo-W and other) are presented. Calculation error was correlated with experimental one. 7 refs.; 2 tabs

  14. Experimental evaluation of quantum computing elements (qubits) made of electrons trapped over a liquid helium film; Evaluation experimentale d'elements de calcul quantique (qubit) formes d'electrons pieges sur l'helium liquide

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, E

    2006-12-15

    An electron on helium presents a quantized energy spectrum. The interaction with the environment is considered sufficiently weak in order to allow the realization of a quantum bit (qubit) by using the first two energy levels. The first stage in the realization of this qubit was to trap and control a single electron. This is carried out thanks to a set of micro-fabricated electrodes defining a well of potential in which the electron is trapped. We are able with such a sample to trap and detect a variables number of electrons varying between one and around twenty. This then allowed us to study the static behaviour of a small number of electrons in a trap. They are supposed to crystallize and form structures called Wigner molecules. Such molecules have not yet been observed yet with electrons above helium. Our results bring circumstantial evidence for of Wigner crystallization. We then sought to characterize the qubit more precisely. We sought to carry out a projective reading (depending on the state of the qubit) and a measurement of the relaxation time. The results were obtained by exciting the electron with an incoherent electric field. A clean measurement of the relaxation time would require a coherent electric field. The conclusion cannot thus be final but it would seem that the relaxation time is shorter than calculated theoretically. That is perhaps due to a measurement of the relaxation between the oscillating states in the trap and not between the states of the qubit. (author)

  15. Calculation of concentration profiles and their experimental verification with a pulsed sieve-plate column and the reactive material system of uranyl nitrate, nitric acid/tributyl phosphate, kerosine

    International Nuclear Information System (INIS)

    Ihle, E.

    1985-01-01

    The present study is concerned with the calculation of stationary and non-stationary concentration profiles as well as with the starting and disturbance behaviour of a pulsed sieve-plate extraction column. It investigates into the material system HNO 3 /uranyl nitrate in water with 30 per cent by volume of tributyl phosphate in kerosine. During the measurements of the concentration profiles for HNO 3 transition, which were effected in the direction of extraction and reextraction, it was shown that the concentration profiles measured in the mixer-settler range, in spite of a sixfold enlargement of the specific heat transfer area, do not differ essentially from those measured in the dispersion range. During the measurements of concentration profiles for HNO 3 /uranium transition, which were effected in the direction of coextraction and co-reextraction only for mixer-settler range, it was discovered that with increasing phase ratios, there is a depletion of the uranium concentration in the aqueous phase. If the phase ratio is further raised, it is the nitric acid, and not the uranium, that is depleted. (orig./PW) [de

  16. Experimental evaluation of quantum computing elements (qubits) made of electrons trapped over a liquid helium film; Evaluation experimentale d'elements de calcul quantique (qubit) formes d'electrons pieges sur l'helium liquide

    Energy Technology Data Exchange (ETDEWEB)

    Rousseau, E

    2006-12-15

    An electron on helium presents a quantized energy spectrum. The interaction with the environment is considered sufficiently weak in order to allow the realization of a quantum bit (qubit) by using the first two energy levels. The first stage in the realization of this qubit was to trap and control a single electron. This is carried out thanks to a set of micro-fabricated electrodes defining a well of potential in which the electron is trapped. We are able with such a sample to trap and detect a variables number of electrons varying between one and around twenty. This then allowed us to study the static behaviour of a small number of electrons in a trap. They are supposed to crystallize and form structures called Wigner molecules. Such molecules have not yet been observed yet with electrons above helium. Our results bring circumstantial evidence for of Wigner crystallization. We then sought to characterize the qubit more precisely. We sought to carry out a projective reading (depending on the state of the qubit) and a measurement of the relaxation time. The results were obtained by exciting the electron with an incoherent electric field. A clean measurement of the relaxation time would require a coherent electric field. The conclusion cannot thus be final but it would seem that the relaxation time is shorter than calculated theoretically. That is perhaps due to a measurement of the relaxation between the oscillating states in the trap and not between the states of the qubit. (author)

  17. Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions.

    Science.gov (United States)

    Vymětal, Jiří; Vondrášek, Jiří

    2014-09-04

    We present a novel force field model of 2,2,2-trifluoroethanol (TFE) based on the generalized AMBER force field. The model was exhaustively parametrized to reproduce liquid-state properties of pure TFE, namely, density, enthalpy of vaporization, self-diffusion coefficient, and population of trans and gauche conformers. The model predicts excellently other liquid-state properties such as shear viscosity, thermal expansion coefficient, and isotropic compressibility. The resulting model describes unexpectedly well the state equation of the liquid region in the range of 100 K and 10 MPa. More importantly, the proposed TFE model was optimized for use in combination with the TIP4P/Ew and TIP4P/2005 water models. It does not manifest excessive aggregation, which is known for other models, and therefore, it is supposed to more realistically describe the behavior of TFE/water mixtures. This was demonstrated by means of the Kirkwood-Buff theory of solutions and reasonable agreement with experimental data. We explored a considerable part of the parameter space and systematically tested individual combinations of parameters for performance in combination with the TIP4P/Ew and TIP4P/2005 water models. We observed ambiguity in parameters describing pure liquid TFE; however, most of them failed for TFE/water mixtures. We clearly demonstrated the necessity for balanced TFE-TFE, TFE-water, and water-water interactions which can be acquired only by employing implicit polarization correction in the course of parametrization.

  18. 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.

  19. 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

  20. Calculational-experimental examination and ensuring of equipment and pipelines seismic resistance at starting and operating water-cooled and moderated reactor WWER-type NPPs shake table investigation at Paks NPP. Final report from 15 June 1993 - 15 June 1994

    International Nuclear Information System (INIS)

    Kaznovsky, S.

    1995-01-01

    This final report involves the calculation and experimental examination and ensuring the seismic resistance of the reactor equipment and pipelines at start up and operation of WWER type nuclear power plants. Shake table experiments performed at the Paks NPP are included. Namely the following devices of the emergency cooling system were tested: pump of low pressure; valve of low pressure; intermediate heat exchanger. The following values were determined: natural frequencies and vibration decrements and the main modes of normal vibrations for the heat exchanger

  1. Calculation of resonance integral for fuel cluster

    International Nuclear Information System (INIS)

    Remsak, S.

    1969-01-01

    The procedure for calculating the shielding correction, formulated in the previous paper [6], was broadened and applied for a cluster of cylindrical rods. The sam analytical method as in the previous paper was applied. A combination of Gauss method with the method of Almgren and Porn used for solving the same type of integral was used to calculate the geometry functions. CLUSTER code was written for ZUSE-Z-23 computer to calculate the shielding corrections for pairs of fuel rods in the cluster. Computing time for one pair of fuel rods depends on the number of closely placed rod, and for two closely placed rods it is about 3 hours. Calculations were done for clusters containing 7 and 19 UO 2 rods. results show that calculated values of resonance integrals are somewhat higher than the values obtained by Helstrand empirical formula. Taking into account the results for two rods from the previous paper it can be noted that the calculated and empirical values for clusters with 2 and 7 rods are in agreement since the deviations do not exceed the limits of experimental error (±2%). In case of larger cluster with 19 rods deviations are higher than the experimental error. Most probably the calculated values exceed the experimental ones result from the fact that in this paper the shielding correction is calculated only in the region up to 1 keV [sr

  2. Calculation of positron annihilation in high Tc copper oxides

    International Nuclear Information System (INIS)

    Barbiellini, B.; Jarlborg, T.; Gauthier, M.; Shukla, A.

    1992-01-01

    LMTO calculations have been done in order to obtain electronic and positronic states in YBaCuO compounds. The annihilation rates have been calculated including the enhancement effects. Folded momentum density spectra are calculated and used for prediction of Fermi surface signals. The influence of lattice defects on the spectra is studied by the comparison between experimental and calculated positron lifetimes. (orig.)

  3. 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.)

  4. Calculation of Critical Temperatures by Empirical Formulae

    Directory of Open Access Journals (Sweden)

    Trzaska J.

    2016-06-01

    Full Text Available The paper presents formulas used to calculate critical temperatures of structural steels. Equations that allow calculating temperatures Ac1, Ac3, Ms and Bs were elaborated based on the chemical composition of steel. To elaborate the equations the multiple regression method was used. Particular attention was paid to the collection of experimental data which was required to calculate regression coefficients, including preparation of data for calculation. The empirical data set included more than 500 chemical compositions of structural steel and has been prepared based on information available in literature on the subject.

  5. 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,...

  6. 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

  7. 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

  8. 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...

  9. 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

  10. Methods for Melting Temperature Calculation

    Science.gov (United States)

    Hong, Qi-Jun

    the melting temperature is a design criterion. We present in detail two examples of refractory materials. First, we demonstrate how key material properties that provide guidance in the design of refractory materials can be accurately determined via ab initio thermodynamic calculations in conjunction with experimental techniques based on synchrotron X-ray diffraction and thermal analysis under laser-heated aerodynamic levitation. The properties considered include melting point, heat of fusion, heat capacity, thermal expansion coefficients, thermal stability, and sublattice disordering, as illustrated in a motivating example of lanthanum zirconate (La2Zr2O7). The close agreement with experiment in the known but structurally complex compound La2Zr 2O7 provides good indication that the computation methods described can be used within a computational screening framework to identify novel refractory materials. Second, we report an extensive investigation into the melting temperatures of the Hf-C and Hf-Ta-C systems using ab initio calculations. With melting points above 4000 K, hafnium carbide (HfC) and tantalum carbide (TaC) are among the most refractory binary compounds known to date. Their mixture, with a general formula TaxHf 1-xCy, is known to have a melting point of 4215 K at the composition Ta4HfC 5, which has long been considered as the highest melting temperature for any solid. Very few measurements of melting point in tantalum and hafnium carbides have been documented, because of the obvious experimental difficulties at extreme temperatures. The investigation lets us identify three major chemical factors that contribute to the high melting temperatures. Based on these three factors, we propose and explore a new class of materials, which, according to our ab initio calculations, may possess even higher melting temperatures than Ta-Hf-C. This example also demonstrates the feasibility of materials screening and discovery via ab initio calculations for the

  11. Coupling between Experimental Measurements and Finite Element Calculations for identification of crystallographic constitutive law. Application to zirconium alloys; Methode de couplage entre experimentations et simulations numeriques en vue de l'identification de lois de comportement intracristallin. Application aux alliages de zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Dexet, M

    2006-10-15

    This thesis presents a methodology for multi scale coupling between the morphology and texture of a microstructure as has been characterised experimentally, and the results of mechanical strain field analysis. This methodology is based on a coupling between experimental characterisation of the microstructure, ex-situ mechanical tests, local strain field measurements performed at the grain scale, and finite element simulations. Then, a definition of a cost function is proposed in order to optimise the parameters of the crystallographic constitutive law. This method is applied to the studies of zirconium alloys in order to improve the understanding of their mechanical behaviour in relation with their microstructures, which is a key requirement for their use in the nuclear industries. This work was funded by the joint research program SMIRN between EDF, CEA and CNRS. (author)

  12. 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

  13. Dissecting Reactor Antineutrino Flux Calculations

    Science.gov (United States)

    Sonzogni, A. A.; McCutchan, E. A.; Hayes, A. C.

    2017-09-01

    Current predictions for the antineutrino yield and spectra from a nuclear reactor rely on the experimental electron spectra from 235U, 239Pu, 241Pu and a numerical method to convert these aggregate electron spectra into their corresponding antineutrino ones. In the present work we investigate quantitatively some of the basic assumptions and approximations used in the conversion method, studying first the compatibility between two recent approaches for calculating electron and antineutrino spectra. We then explore different possibilities for the disagreement between the measured Daya Bay and the Huber-Mueller antineutrino spectra, including the 238U contribution as well as the effective charge and the allowed shape assumption used in the conversion method. We observe that including a shape correction of about +6 % MeV-1 in conversion calculations can better describe the Daya Bay spectrum. Because of a lack of experimental data, this correction cannot be ruled out, concluding that in order to confirm the existence of the reactor neutrino anomaly, or even quantify it, precisely measured electron spectra for about 50 relevant fission products are needed. With the advent of new rare ion facilities, the measurement of shape factors for these nuclides, for many of which precise beta intensity data from TAGS experiments already exist, would be highly desirable.

  14. Research on the experimental verification of dosimetry calculations. Progress report

    International Nuclear Information System (INIS)

    Poston, J.W.

    1984-06-01

    Research has been focused on the development of a technique to section PATE organ dosimeters and the application of the technique to dosimetry of the extremities. In addition, a realistic model for the head and neck region has been designed and a model for the circulating blood has been proposed

  15. Social capital calculations in economic systems: Experimental study

    Science.gov (United States)

    Chepurov, E. G.; Berg, D. B.; Zvereva, O. M.; Nazarova, Yu. Yu.; Chekmarev, I. V.

    2017-11-01

    The paper describes the social capital study for a system where actors are engaged in an economic activity. The focus is on the analysis of communications structural parameters (transactions) between the actors. Comparison between transaction network graph structure and the structure of a random Bernoulli graph of the same dimension and density allows revealing specific structural features of the economic system under study. Structural analysis is based on SNA-methodology (SNA - Social Network Analysis). It is shown that structural parameter values of the graph formed by agent relationship links may well characterize different aspects of the social capital structure. The research advocates that it is useful to distinguish the difference between each agent social capital and the whole system social capital.

  16. Experimental validation of Monte Carlo calculations for organ dose

    International Nuclear Information System (INIS)

    Yalcintas, M.G.; Eckerman, K.F.; Warner, G.G.

    1980-01-01

    The problem of validating estimates of absorbed dose due to photon energy deposition is examined. The computational approaches used for the estimation of the photon energy deposition is examined. The limited data for validation of these approaches is discussed and suggestions made as to how better validation information might be obtained

  17. The calculation - experimental investigations of the HTGR fuel element construction

    International Nuclear Information System (INIS)

    Eremeev, V.S.; Kolesov, V.S.; Chernikov, A.S.

    1985-01-01

    One of the most important problems in the HTGR development is the creation of the fuel element gas-tight for the fission products. This problem is being solved by using fuel elements of dispersion type representing an ensemble of coated fuel particles dispersed in the graphite matrix. Gas-tightness of such fuel elements is reached at the expense of deposing a protective coating on the fuel particles. It is composed of some layers serving as diffusion barriers for fission products. It is apparent that the rate of fission products diffusion from coated fuel particles is determined by the strength and temperature of the protective coating

  18. 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.)

  19. Relativistic Calculations for Be-like Iron

    International Nuclear Information System (INIS)

    Yang Jianhui; Zhang Jianping; Li Ping; Li Huili

    2008-01-01

    Relativistic configuration interaction calculations for the states of 1s 2 2s 2 , 1s 2 2s3l (l = s,p,d) and 1s 2 2p3l (l = s,p,d) configurations of iron are carried out using relativistic configuration interaction (RCI) and multi-configuration Dirac-Fock (MCDF) method in the active interaction approach. In the present calculation, a large-scale configuration expansion was used in describing the target states. These results are extensively compared with other available calculative and experimental and observed values, the corresponding present results are in good agreement with experimental and observed values, and some differences are found with other available calculative values. Because more relativistic effects are considered than before, the present results should be more accurate and reliable

  20. Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data† †Electronic supplementary information (ESI) available: Results of similarity analysis between the 11 structures of lowest energy obtained in the AIRSS calculations and the reported structures of form III and form IV of m-ABA; unit cell parameters and volumes for all structures considered; comparison of 2θ values derived from the unit cell parameters of different structural models representing form III of m-ABA; Le Bail fitting of the experimental powder XRD pattern of form IV of m-ABA recorded at 70 K using, as the initial structural model, the reported crystal structure following geometry optimization; table of calculated (GIPAW) absolute isotropic NMR shieldings; simulated powder XRD data for the considered structures after precise geometry optimization; experimental 1H MAS NMR spectra of forms III and IV. (pdf) The calculated and experimental data for this study are provided as a supporting dataset from WRAP, the Warwick Research Archive Portal at http://wrap.warwick.ac.uk/91884. See DOI: 10.1039/c7cp04186a

    Science.gov (United States)

    Zilka, Miri; Dudenko, Dmytro V.; Hughes, Colan E.; Williams, P. Andrew; Sturniolo, Simone; Franks, W. Trent; Pickard, Chris J.

    2017-01-01

    This paper explores the capability of using the DFT-D ab initio random structure searching (AIRSS) method to generate crystal structures of organic molecular materials, focusing on a system (m-aminobenzoic acid; m-ABA) that is known from experimental studies to exhibit abundant polymorphism. Within the structural constraints selected for the AIRSS calculations (specifically, centrosymmetric structures with Z = 4 for zwitterionic m-ABA molecules), the method is shown to successfully generate the two known polymorphs of m-ABA (form III and form IV) that have these structural features. We highlight various issues that are encountered in comparing crystal structures generated by AIRSS to experimental powder X-ray diffraction (XRD) data and solid-state magic-angle spinning (MAS) NMR data, demonstrating successful fitting for some of the lowest energy structures from the AIRSS calculations against experimental low-temperature powder XRD data for known polymorphs of m-ABA, and showing that comparison of computed and experimental solid-state NMR parameters allows different hydrogen-bonding motifs to be discriminated. PMID:28944393

  1. 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

  2. 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

  3. 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

  4. 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)

  5. 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...

  6. 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...

  7. 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...

  8. 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

  9. 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)

  10. 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.

  11. 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...

  12. 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)

  13. 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)

  14. Parallel plasma fluid turbulence calculations

    International Nuclear Information System (INIS)

    Leboeuf, J.N.; Carreras, B.A.; Charlton, L.A.; Drake, J.B.; Lynch, V.E.; Newman, D.E.; Sidikman, K.L.; Spong, D.A.

    1994-01-01

    The study of plasma turbulence and transport is a complex problem of critical importance for fusion-relevant plasmas. To this day, the fluid treatment of plasma dynamics is the best approach to realistic physics at the high resolution required for certain experimentally relevant calculations. Core and edge turbulence in a magnetic fusion device have been modeled using state-of-the-art, nonlinear, three-dimensional, initial-value fluid and gyrofluid codes. Parallel implementation of these models on diverse platforms--vector parallel (National Energy Research Supercomputer Center's CRAY Y-MP C90), massively parallel (Intel Paragon XP/S 35), and serial parallel (clusters of high-performance workstations using the Parallel Virtual Machine protocol)--offers a variety of paths to high resolution and significant improvements in real-time efficiency, each with its own advantages. The largest and most efficient calculations have been performed at the 200 Mword memory limit on the C90 in dedicated mode, where an overlap of 12 to 13 out of a maximum of 16 processors has been achieved with a gyrofluid model of core fluctuations. The richness of the physics captured by these calculations is commensurate with the increased resolution and efficiency and is limited only by the ingenuity brought to the analysis of the massive amounts of data generated

  15. 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,

  16. 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

  17. 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)

  18. 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)

  19. Equivalent-spherical-shield neutron dose calculations

    International Nuclear Information System (INIS)

    Russell, G.J.; Robinson, H.

    1988-01-01

    Neutron doses through 162-cm-thick spherical shields were calculated to be 1090 and 448 mrem/h for regular and magnetite concrete, respectively. These results bracket the measured data, for reinforced regular concrete, of /approximately/600 mrem/h. The calculated fraction of the high-energy (>20 MeV) dose component also bracketed the experimental data. The measured and calculated doses were for a graphite beam stop bombarded with 100 nA of 800-MeV protons. 6 refs., 2 figs., 1 tab

  20. 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.

  1. 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...

  2. 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...

  3. Thermal hydraulic calculation of STORM facility using GOTHIC code

    International Nuclear Information System (INIS)

    Pevec, D.; Grgic, D.; Prah, M.

    1995-01-01

    Benchmark calculation CTI defined in frame of STORM experimental programme is used to prove that the GOTHIC code is capable to predict behaviour of experimental facility with reasonable accuracy. GOTHIC code is developed mainly for containment calculation. In this situation it is successfully used for calculation of one dimensional flow of steam and noncondensable mixture. Steady state distributions of pressure, temperature and the velocity of gas along facility are consistent with results obtained by other benchmark participants. (author)

  4. 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

  5. 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

  6. 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

  7. Progress in calculations of the superconducting properties of transition metals

    International Nuclear Information System (INIS)

    Butler, W.H.

    1979-01-01

    First principles calculations of the electron--phonon parameters of d-band metals can now be performed to an accuracy of about 10% for averaged quantities such as the mass enhancement or the room temperature resistivity. Quantities such as the spectral function α 2 F(ω) or the phonon linewidth which describe the electron--phonon interaction in more detail can also be calculated. Agreement between calculated and experimental phonon linewidths is generally good but there are differences between the experimental and calculated versions of α 2 F(ω). Calculations of the thermodynamic critical field and the upper critical field for Nb agree well with experiment

  8. A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

  9. 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)

  10. 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 ...

  11. 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

  12. 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.

  13. 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

  14. 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.

  15. 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

  16. 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

  17. Benchmark calculation of subchannel analysis codes

    International Nuclear Information System (INIS)

    1996-02-01

    In order to evaluate the analysis capabilities of various subchannel codes used in thermal-hydraulic design of light water reactors, benchmark calculations were performed. The selected benchmark problems and major findings obtained by the calculations were as follows: (1)As for single-phase flow mixing experiments between two channels, the calculated results of water temperature distribution along the flow direction were agreed with experimental results by tuning turbulent mixing coefficients properly. However, the effect of gap width observed in the experiments could not be predicted by the subchannel codes. (2)As for two-phase flow mixing experiments between two channels, in high water flow rate cases, the calculated distributions of air and water flows in each channel were well agreed with the experimental results. In low water flow cases, on the other hand, the air mixing rates were underestimated. (3)As for two-phase flow mixing experiments among multi-channels, the calculated mass velocities at channel exit under steady-state condition were agreed with experimental values within about 10%. However, the predictive errors of exit qualities were as high as 30%. (4)As for critical heat flux(CHF) experiments, two different results were obtained. A code indicated that the calculated CHF's using KfK or EPRI correlations were well agreed with the experimental results, while another code suggested that the CHF's were well predicted by using WSC-2 correlation or Weisman-Pei mechanistic model. (5)As for droplets entrainment and deposition experiments, it was indicated that the predictive capability was significantly increased by improving correlations. On the other hand, a remarkable discrepancy between codes was observed. That is, a code underestimated the droplet flow rate and overestimated the liquid film flow rate in high quality cases, while another code overestimated the droplet flow rate and underestimated the liquid film flow rate in low quality cases. (J.P.N.)

  18. Adjoint electron Monte Carlo calculations

    International Nuclear Information System (INIS)

    Jordan, T.M.

    1986-01-01

    Adjoint Monte Carlo is the most efficient method for accurate analysis of space systems exposed to natural and artificially enhanced electron environments. Recent adjoint calculations for isotropic electron environments include: comparative data for experimental measurements on electronics boxes; benchmark problem solutions for comparing total dose prediction methodologies; preliminary assessment of sectoring methods used during space system design; and total dose predictions on an electronics package. Adjoint Monte Carlo, forward Monte Carlo, and experiment are in excellent agreement for electron sources that simulate space environments. For electron space environments, adjoint Monte Carlo is clearly superior to forward Monte Carlo, requiring one to two orders of magnitude less computer time for relatively simple geometries. The solid-angle sectoring approximations used for routine design calculations can err by more than a factor of 2 on dose in simple shield geometries. For critical space systems exposed to severe electron environments, these potential sectoring errors demand the establishment of large design margins and/or verification of shield design by adjoint Monte Carlo/experiment

  19. Neutronics calculation of RTP core

    Science.gov (United States)

    Rabir, Mohamad Hairie B.; Zin, Muhammad Rawi B. Mohamed; Karim, Julia Bt. Abdul; Bayar, Abi Muttaqin B. Jalal; Usang, Mark Dennis Anak; Mustafa, Muhammad Khairul Ariff B.; Hamzah, Na'im Syauqi B.; Said, Norfarizan Bt. Mohd; Jalil, Muhammad Husamuddin B.

    2017-01-01

    Reactor calculation and simulation are significantly important to ensure safety and better utilization of a research reactor. The Malaysian's PUSPATI TRIGA Reactor (RTP) achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. Since early 90s, neutronics modelling were used as part of its routine in-core fuel management activities. The are several computer codes have been used in RTP since then, based on 1D neutron diffusion, 2D neutron diffusion and 3D Monte Carlo neutron transport method. This paper describes current progress and overview on neutronics modelling development in RTP. Several important parameters were analysed such as keff, reactivity, neutron flux, power distribution and fission product build-up for the latest core configuration. The developed core neutronics model was validated by means of comparison with experimental and measurement data. Along with the RTP core model, the calculation procedure also developed to establish better prediction capability of RTP's behaviour.

  20. Analysis of DCA experimental data

    International Nuclear Information System (INIS)

    Min, B. J.; Kim, S. Y.; Ryu, S. J.; Seok, H. C.

    2000-01-01

    The lattice characteristics of DCA are calculated with WIMS-ATR code to validate WIMS-AECL code for the lattice analysis of CANDU core by using experimental data of DCA at JNC. Analytical studies of some critical experiments had been performed to analyze the effects of fuel composition. Different items of reactor physics such as local power peaking factor (LPF), effective multiplication factor (Keff) and coolant void reactivity were calculated for two coolant void fractions (0% and 100%). LPFs calculated by WIMS-ATR code are in close agreement with the experimental results. LPFs calculated by WIMS-AECL code with WINFRITH and ENDF/B-V libraries have similar values for both libraries but the differences between experimental data and calculated results by WIMS-AECL code are larger than those of WIMS-ATR code. The maximum difference between the values calculated by WIMS-ATR and experimental values of LPFs are within 1.3%. The coupled code systems WIMS-ATR and CITATION used in this analysis predict Keff within 1% ΔK and coolant void reactivity within 4 % ΔK/K in all cases. The coolant void reactivity of uranium fuel is found to be positive. To validate WIMS-AECL code, the core characteristics of DCA shall be calculated by WIMS-AECL and CITATION codes in the future

  1. 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)

  2. 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.)

  3. 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.)

  4. 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

  5. Mixing of the odd-parity excitations in Nd, Sm and Gd nuclei with 86 and 87 neutrons

    International Nuclear Information System (INIS)

    Hammaren, Esko.

    1978-08-01

    The low- and medium-spin structure of the four nuclei 148 Sm 86 , 147 Nd 87 , 149 Sm 87 and 151 Gd 87 has been investigated experimentally and theoretically. The low-spin states of 151 Gd were obtained in the EC and β + decay of 151 Tb. The proposed level scheme, based on gamma-gamma coincidence and conversion-electron measurements, contains several new energy levels, among them a 5/2 - state at 427 keV. Nanosecond lifetimes of the states in 147 Nd were studied using the reaction 146 Nd(d,pγ) 147 Nd with 10 MeV deuterons. The reactions sup(148,150)Nd( 3 He,xn) at Esup(3sub(He)) = 19 - 27 MeV were used to study excited states in the nuclei 148 Sm and 149 Sm. Gamma-ray excitation fuctions, angular and time distributions, gamma-gamma coincidences and conversion electrons were measured. The presence of the Z = 64 closed proton core is proposed to be important for the structure of the even and odd isotones considered. Calculations performed for 148 Sm using the interacting-boson-approximation model and related to the N = 82, Z = 64 and N = 82, Z = 50 cores are discussed. The properties of the negative-parity low-spin states of the N = 87 isotones are explained with an axial particle-plus-rotor model. The calculated B(M1) and B(E2) probabilities are compared with a compilation of experimental values. Most of the spectroscopic factors of 149 Sm are reproduced well in the calculation. The consequences of nonaxiality are discussed for the fsub(7/2)- and hsub(9/2)-based excitations. The standard Meyer-ter-Vehn model calculation indicates different asymmetries for the fsub(7/2) and hsub(9/2) shells. (author)

  6. Fluorescein isothiocyanate: Molecular characterization by theoretical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No 69, Lleida E-25001 (Spain); Jacquemin, Denis [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium)], E-mail: denis.jacquemin@fundp.ac.be; Perpete, Eric A. [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium); Aleman, Carlos [Departament d' Enginyeria Quimica, E. T. S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu

    2008-12-10

    Quantum mechanical calculations have been used to investigate the conformation, molecular geometry, basicity and spectroscopic properties of fluorescein isothiocyanate in both the gas-phase and aqueous solution. Specifically, calculations have been performed considering the neutral, monoanionic and dianionic forms of this important fluorescent compound. Results reveal that for the neutral form multiple conformational states are possible, all them with significant contributions, and the stability of the different conformers is similar in the gas-phase and aqueous solution. Calculation of the excitation energies revealed that spectroscopic properties are very sensitive to the relaxation effect in solution. A good agreement has been reached obtained between the experimental and theoretical values derived from time-dependent density functional theory methods for the neutral form, whereas for charged species the calculations fail to accurately reproduce the measured trends.

  7. Dose rate calculations for a reconnaissance vehicle

    International Nuclear Information System (INIS)

    Grindrod, L.; Mackey, J.; Salmon, M.; Smith, C.; Wall, S.

    2005-01-01

    A Chemical Nuclear Reconnaissance System (CNRS) has been developed by the British Ministry of Defence to make chemical and radiation measurements on contaminated terrain using appropriate sensors and recording equipment installed in a land rover. A research programme is under way to develop and validate a predictive capability to calculate the build-up of contamination on the vehicle, radiation detector performance and dose rates to the occupants of the vehicle. This paper describes the geometric model of the vehicle and the methodology used for calculations of detector response. Calculated dose rates obtained using the MCBEND Monte Carlo radiation transport computer code in adjoint mode are presented. These address the transient response of the detectors as the vehicle passes through a contaminated area. Calculated dose rates were found to agree with the measured data to be within the experimental uncertainties, thus giving confidence in the shielding model of the vehicle and its application to other scenarios. (authors)

  8. Convenience experimentation.

    Science.gov (United States)

    Krohs, Ulrich

    2012-03-01

    Systems biology aims at explaining life processes by means of detailed models of molecular networks, mainly on the whole-cell scale. The whole cell perspective distinguishes the new field of systems biology from earlier approaches within molecular cell biology. The shift was made possible by the high throughput methods that were developed for gathering 'omic' (genomic, proteomic, etc.) data. These new techniques are made commercially available as semi-automatic analytic equipment, ready-made analytic kits and probe arrays. There is a whole industry of supplies for what may be called convenience experimentation. My paper inquires some epistemic consequences of strong reliance on convenience experimentation in systems biology. In times when experimentation was automated to a lesser degree, modeling and in part even experimentation could be understood fairly well as either being driven by hypotheses, and thus proceed by the testing of hypothesis, or as being performed in an exploratory mode, intended to sharpen concepts or initially vague phenomena. In systems biology, the situation is dramatically different. Data collection became so easy (though not cheap) that experimentation is, to a high degree, driven by convenience equipment, and model building is driven by the vast amount of data that is produced by convenience experimentation. This results in a shift in the mode of science. The paper shows that convenience driven science is not primarily hypothesis-testing, nor is it in an exploratory mode. It rather proceeds in a gathering mode. This shift demands another shift in the mode of evaluation, which now becomes an exploratory endeavor, in response to the superabundance of gathered data. Copyright © 2011 Elsevier Ltd. All rights reserved.

  9. Experimental philosophy.

    Science.gov (United States)

    Knobe, Joshua; Buckwalter, Wesley; Nichols, Shaun; Robbins, Philip; Sarkissian, Hagop; Sommers, Tamler

    2012-01-01

    Experimental philosophy is a new interdisciplinary field that uses methods normally associated with psychology to investigate questions normally associated with philosophy. The present review focuses on research in experimental philosophy on four central questions. First, why is it that people's moral judgments appear to influence their intuitions about seemingly nonmoral questions? Second, do people think that moral questions have objective answers, or do they see morality as fundamentally relative? Third, do people believe in free will, and do they see free will as compatible with determinism? Fourth, how do people determine whether an entity is conscious?

  10. Evaluation of fusion-evaporation cross-section calculations

    Science.gov (United States)

    Blank, B.; Canchel, G.; Seis, F.; Delahaye, P.

    2018-02-01

    Calculated fusion-evaporation cross sections from five different codes are compared to experimental data. The present comparison extents over a large range of nuclei and isotopic chains to investigate the evolution of experimental and calculated cross sections. All models more or less overestimate the experimental cross sections. We found reasonable agreement by using the geometrical average of the five model calculations and dividing the average by a factor of 11.2. More refined analyses are made for example for the 100Sn region.

  11. 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.

  12. 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

  13. 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

  14. 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

  15. Experimental guidelines

    International Nuclear Information System (INIS)

    1997-01-01

    The paper proposes a model experimental design to study the effects of pesticides on particular ecosystem. It takes maize as a model crop and an alternative crop while studying the adverse effects on untargeted arthropods, residues in the soil and other plants. 5 refs, 7 figs

  16. 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

  17. 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

  18. 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

  19. Ammonia synthesis from first principles calculations

    DEFF Research Database (Denmark)

    Honkala, Johanna Karoliina; Hellman, Anders; Remediakis, Ioannis

    2005-01-01

    . When the size distribution of ruthenium particles measured by transmission electron microscopy was used as the [ink between the catalyst material and the theoretical treatment, the calculated rate was within a factor of 3 to 20 of the experimental rate. This offers hope for computer-based methods......The rate of ammonia synthesis over a nanoparticle ruthenium catalyst can be calculated directly on the basis of a quantum chemical treatment of the problem using density functional theory. We compared the results to measured rates over a ruthenium catalyst supported on magnesium aluminum spinet...

  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. 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.

  2. 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.

  3. Neutron calculation scheme for coupled reactors

    International Nuclear Information System (INIS)

    Porta, Jacques.

    1980-11-01

    The CABRI and PHEBUS cores are of the low enrichment rod type in which the fuel is made up of uranium oxide pellets encased in tubular cladding but the SCARABEE core has high enrichment plates, the fuel, an aluminium-uranium alloy (UAl) is metal, rolled into plate form. These three cores in well described rectangular geometry, receive in their centres the very heterogeneous cylindrical test loops (numerous containments of different kinds, large void spaces acting as lagging). After a detailed study of these three reactors, it is found that the search for a calculation scheme (common to the three projects) leads to the elimination of the scattering approximation in our calculations. It is therefore necessary to review the various existing models from a theoretical angle and then to select a particular method, according to the available data processing tools, a choice that will be dictated by the optimization of the parameters: cost in calculation time, difficulties (or ease) of use and accuracy achieved. A problem of experiment interpretation by calculation is dealt with in Chapter 3. The determination of the coupling by calculation is closely linked to the geometrical and energy modelization chosen. But from the experimental angle the determination of the coupling also gives rise to problems with respect to the interpretation of the experimental values obtained by thermal balance determinations, counting of the gamma emission of the fission products of fissile detectors and counting of lanthane 140 in the fuel fission products. The method of calculation is discussed as is the use made of detectors and the counting procedures. In chapter 4, it is not a local modelization that is discussed but an overall one in an original three dimensional calculation [fr

  4. Experimental insertions

    International Nuclear Information System (INIS)

    Sandweiss, J.; Kycia, T.F.

    1975-01-01

    A discussion is given of the eight identical experimental insertions for the planned ISABELLE storage rings. Four sets of quadrupole doublets are used to match the β functions in the insertions to the values in the cells, and the total free space available at the crossing point is 40 meters. An asymmetric beam energy operation is planned, which will be useful in a number of experiments

  5. Animal experimentation

    OpenAIRE

    Laz, Alak; Cholakova, Tanya Stefanova; Vrablova, Sofia; Arshad, Naverawaheed

    2016-01-01

    Animal experimentation is a crucial part of medical science. One of the ways to define it is any scientific experiment conducted for research purposes that cause any kind of pain or suffering to animals. Over the years, the new discovered drugs or treatments are first applied on animals to test their positive outcomes to be later used by humans. There is a debate about violating ethical considerations by exploiting animals for human benefits. However, different ethical theories have been made...

  6. Animal experimentation.

    Science.gov (United States)

    Kolar, Roman

    2006-01-01

    Millions of animals are used every year in often times extremely painful and distressing scientific procedures. Legislation of animal experimentation in modern societies is based on the supposition that this is ethically acceptable when certain more or less defined formal (e.g. logistical, technical) demands and ethical principles are met. The main parameters in this context correspond to the "3Rs" concept as defined by Russel and Burch in 1959, i.e. that all efforts to replace, reduce and refine experiments must be undertaken. The licensing of animal experiments normally requires an ethical evaluation process, often times undertaken by ethics committees. The serious problems in putting this idea into practice include inter alia unclear conditions and standards for ethical decisions, insufficient management of experiments undertaken for specific (e.g. regulatory) purposes, and conflicts of interest of ethics committees' members. There is an ongoing societal debate about ethical issues of animal use in science. Existing EU legislation on animal experimentation for cosmetics testing is an example of both the public will for setting clear limits to animal experiments and the need to further critically examine other fields and aspects of animal experimentation.

  7. Benchmarks for evaluation of shielding calculations

    International Nuclear Information System (INIS)

    Coelho, P.R.P.; Maiorino, J.R.

    1989-01-01

    The spatial-energy neutron distribution emerging from a laminated shielding (stainless, polyethylene and lead) were measured by a fast neutron spectrometer and some experimental results were compared with those calculated by a network of codes. The source neutrons incident in the shielding were 14 MeV neutrons from a H-3(d,n)He-4 reaction coming from a Van de Graaff accelerator. Experimentally was verified a good radial symmetry of neutron energy-spectrum, and also a moderation and attenuation effect for points located out of the central axis of symmetry. These results indicate that the experiment can be well modelated by R-Z geometry. A neutron-energy spectra calculated by DOT 3.5 was compared with the measured spectra, showing a good agreement in the shape and value of the spectra (12% for an integrated spectrum from 2 to 16 MeV). (author) [pt

  8. Application of nomograms to calculate radiography parameters

    International Nuclear Information System (INIS)

    Voronin, S.A.; Orlov, K.P.; Petukhov, V.I.; Khomchenkov, Yu.F.; Meshalkin, I.A.; Grachev, A.V.; Akopov, V.'S.; Majorov, A.N.

    1979-01-01

    The method of calculation of radiography parameters with the help of nomograms usable for practical application under laboratory and industrial conditions, is proposed. Nomograms are developed for determining the following parameters: relative sensitivity, general non-definition of image, permissible difference of blackening density between the centre and edge of the picture (ΔD), picture contrast, focus distance, item thickness, radiation-physical parameter, dose build up factor, groove dimension and error. An experimental test has been carried out for evaluating the results, obtained with nomograms. Steel items from 25 to 79 mm thick have been subjected to testing 191 Ir has been used as a source. Comparison of calculation and experimental results has shown the discrepancy in sensitivity values, caused by ΔDsub(min) apriori index and the error, inherent in graphical plotting on a nomogram

  9. Synthesis, Spectroscopic Properties and DFT Calculation of Novel ...

    Indian Academy of Sciences (India)

    L1) identifies its molecular structure and reveals π-π stacking. The synthetic mechanisms for L2, L3 were studied by density functional theory calculations. And a comprehensive study of spectroscopic properties involving experimental data and ...

  10. Calculations for the prediction of accident situation

    International Nuclear Information System (INIS)

    Perneczky, L.; Szabados, L.; Toth, I.

    1987-11-01

    The report deals with the analysis of the loss of feedwater transient assuming that the pressurizer safety valve remains open throughout the process. The scenario is the Paks NPP counterpart of the loss of feedwater test performed on the PMK-NVH facility. The initial and boundary conditions of the calculation agree with those of the experiment allowing direct comparison with experimental results. (author) 18 refs.; 34 figs

  11. Distorted wave calculations for double electron transfer

    International Nuclear Information System (INIS)

    Martinez, A.E.; Rivarola, R.D.; Gayet, R.; Hanssen, J.

    1992-01-01

    The resonant double electron capture by alpha particles in helium targets is studied, at intermediate and high collision energies, using the Continuum Distorted Wave - Eikonal Initial State (CDW-EIS) model. Differential and total cross sections for capture into the He (1 s 2 ) final state are calculated in the framework of an Independent Electron Approximation (IEA). Theoretical results are compared with the experimental data available at present for capture into any final state of helium. (author)

  12. Benchmark testing calculations for 232Th

    International Nuclear Information System (INIS)

    Liu Ping

    2003-01-01

    The cross sections of 232 Th from CNDC and JENDL-3.3 were processed with NJOY97.45 code in the ACE format for the continuous-energy Monte Carlo Code MCNP4C. The K eff values and central reaction rates based on CENDL-3.0, JENDL-3.3 and ENDF/B-6.2 were calculated using MCNP4C code for benchmark assembly, and the comparisons with experimental results are given. (author)

  13. Theoretical calculations of positron lifetimes for metal oxides

    International Nuclear Information System (INIS)

    Mizuno, Masataka; Araki, Hideki; Shirai, Yasuharu

    2004-01-01

    Our recent positron lifetime measurements for metal oxides suggest that positron lifetimes of bulk state in metal oxides are shorter than previously reported values. We have performed theoretical calculations of positron lifetimes for bulk and vacancy states in MgO and ZnO using first-principles electronic structure calculations and discuss the validity of positron lifetime calculations for insulators. By comparing the calculated positron lifetimes to the experimental values, it wa found that the semiconductor model well reproduces the experimental positron lifetime. The longer positron lifetime previously reported can be considered to arise from not only the bulk but also from the vacancy induced by impurities. In the case of cation vacancy, the calculated positron lifetime based on semiconductor model is shorter than the experimental value, which suggests that the inward relaxation occurs around the cation vacancy trapping the positron. (author)

  14. Exact-exchange-based quasiparticle calculations

    International Nuclear Information System (INIS)

    Aulbur, Wilfried G.; Staedele, Martin; Goerling, Andreas

    2000-01-01

    One-particle wave functions and energies from Kohn-Sham calculations with the exact local Kohn-Sham exchange and the local density approximation (LDA) correlation potential [EXX(c)] are used as input for quasiparticle calculations in the GW approximation (GWA) for eight semiconductors. Quasiparticle corrections to EXX(c) band gaps are small when EXX(c) band gaps are close to experiment. In the case of diamond, quasiparticle calculations are essential to remedy a 0.7 eV underestimate of the experimental band gap within EXX(c). The accuracy of EXX(c)-based GWA calculations for the determination of band gaps is as good as the accuracy of LDA-based GWA calculations. For the lowest valence band width a qualitatively different behavior is observed for medium- and wide-gap materials. The valence band width of medium- (wide-) gap materials is reduced (increased) in EXX(c) compared to the LDA. Quasiparticle corrections lead to a further reduction (increase). As a consequence, EXX(c)-based quasiparticle calculations give valence band widths that are generally 1-2 eV smaller (larger) than experiment for medium- (wide-) gap materials. (c) 2000 The American Physical Society

  15. Calculational examination of the Baneberry event

    International Nuclear Information System (INIS)

    Terhune, R.W.; Glenn, H.D.; Burton, D.E.; McKague, H.L.; Rambo, J.T.

    1977-01-01

    On December 18, 1970, Baneberry, a 10-kt nuclear device, was detonated at a depth of 278 m in hole U8d at the Nevada Test Site. A shock-induced fissure near ground zero opened and vented radioactive gases and debris into the atmosphere. This report presents the calculational results describing the sequence of dynamic phenomena that produced the vent. The calculations predict the long positive velocity pulse and the surface motion that were observed experimentally. The surface fissure through which the material vented is the same radial distance from ground zero as the maximum horizontal displacement is calculated to be. The calculations predict a final cavity radius that is very close to the measured Baneberry cavity radius. Finally, the calculations indicate that an open fracture path runs from the cavity to the Baneberry Fault, up the fault to the spall region, and then vertically to the surface. This was the vent path predicted by calculations and is consistent with the vent path found from the radioactivity in postshot drill holes. Because of our extensions in computational capabilities, we believe this report advances the state of the art for numerical simulation of the containment problems associated with underground nuclear tests

  16. Stability calculations for MHD magnets

    International Nuclear Information System (INIS)

    Turner, L.R.; Wang, S.T.; Harrang, J.

    1978-01-01

    When a cryostable composite conductor carrying current experiences a heat input from a mechanical perturbation, a normal region develops which initially propagates and then either collapses or continues to propagate. A computer model has been devised to study this phenomenon. The model incorporates initial or continuing heat input from mechanical perturbations, heat conducted to the neighboring elements of the conductor and, if appropriate, heat conducted through insulation to neighboring turns. Heat is transferred to the helium coolant according to a specified heat transfer coefficient. If the element of conductor is in a normal or current-sharing state, resistive heating also occurs. The (unstable) equilibrium state of heat generation and conduction has been studied; results agree with those of a static calculation. The model has been validated against experimental measurements of response to heat pulses. The model suffers from uncertainties in transient heat transfer to the helium, but even more from uncertainties in the perturbing heat pulse which the magnet might be expected to suffer

  17. Selfconsistent calculations for hyperdeformed nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Molique, H.; Dobaczewski, J.; Dudek, J.; Luo, W.D. [Universite Louis Pasteur, Strasbourg (France)

    1996-12-31

    Properties of the hyperdeformed nuclei in the A {approximately} 170 mass range are re-examined using the self-consistent Hartree-Fock method with the SOP parametrization. A comparison with the previous predictions that were based on a non-selfconsistent approach is made. The existence of the {open_quotes}hyper-deformed shell closures{close_quotes} at the proton and neutron numbers Z=70 and N=100 and their very weak dependence on the rotational frequency is suggested; the corresponding single-particle energy gaps are predicted to play a role similar to that of the Z=66 and N=86 gaps in the super-deformed nuclei of the A {approximately} 150 mass range. Selfconsistent calculations suggest also that the A {approximately} 170 hyperdeformed structures have neglegible mass asymmetry in their shapes. Very importantly for the experimental studies, both the fission barriers and the {open_quotes}inner{close_quotes} barriers (that separate the hyperdeformed structures from those with smaller deformations) are predicted to be relatively high, up to the factor of {approximately}2 higher than the corresponding ones in the {sup 152}Dy superdeformed nucleus used as a reference.

  18. 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)

  19. 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

  20. 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

  1. Experimental studies of electron capture

    International Nuclear Information System (INIS)

    Pedersen, E.H.

    1983-01-01

    This thesis discusses the main results of recent experimental studies of electron capture in asymmetric collisions. Most of the results have been published, but the thesis also contains yet unpublished data, or data presented only in unrefereed conference proceedings. The thesis aims at giving a coherent discussion of the understanding of the experimental results, based first on simple qualitative considerations and subsequently on quantitative comparisons with the best theoretical calculations currently available. (Auth.)

  2. 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

  3. A Novel Hybrid Similarity Calculation Model

    Directory of Open Access Journals (Sweden)

    Xiaoping Fan

    2017-01-01

    Full Text Available This paper addresses the problems of similarity calculation in the traditional recommendation algorithms of nearest neighbor collaborative filtering, especially the failure in describing dynamic user preference. Proceeding from the perspective of solving the problem of user interest drift, a new hybrid similarity calculation model is proposed in this paper. This model consists of two parts, on the one hand the model uses the function fitting to describe users’ rating behaviors and their rating preferences, and on the other hand it employs the Random Forest algorithm to take user attribute features into account. Furthermore, the paper combines the two parts to build a new hybrid similarity calculation model for user recommendation. Experimental results show that, for data sets of different size, the model’s prediction precision is higher than the traditional recommendation algorithms.

  4. Methods for thermal reactor lattice calculations

    International Nuclear Information System (INIS)

    Schneider, A.

    1976-12-01

    The American code HAMMER and the British code WIMS, for the analysis of thermal reactor lattices, have been investigated. The primary objective of this investigation was to identify the causes for the discrepancies that exist between the calculated and the experimentally determined reactivity of clean critical experiments. Three phases have been undertaken in the research: (a) Detailed comparison between the group cross-sections used by the codes; (b) Definition of the various approximations incorporated into the codes; (c) Comparison between the values of a variety of reaction rates calculated by the two codes. It was concluded that the main cause of discrepancy between calculations and experiments is due to data inaccuracies, while approximations introduced in solving the transport equation are of smaller importance

  5. Experimental Techniques

    International Nuclear Information System (INIS)

    Fournier, D.; Serin, L.

    1995-01-01

    Experimental techniques to be used in the new generation of high energy physics are presented. The emphasis is put on the new ATLAS and CMS detectors for the CERN LHC. For the most important elements of these detectors, a description of the underlying physics processes is given, sometimes with reference to comparable detectors used in the past. Some comparative global performances of the two detectors are also given, with reference to benchmark physics processes (detection of the Higgs boson in various mass regions, etc). (author)

  6. Status of computational and experimental correlations for Los Alamos fast-neutron critical assemblies; Correlation entre les calculs et les experiences sur les ensembles critiques a neutrons rapides de Los Alamos; Sostoyanie vychislitel'nykh i ehksperimental'nykh korrelyatsij dlya Los-Alamosskoj kriticheskoj sistemy na bystrykh nejtronakh; Conjuntos criticos de neutrones rapidos de Los Alamos; correlacion entre resultados calculados y experimentales

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, G E [Los Alamos Scientific Laboratory, University of California, Los Alamos, NM (United States)

    1962-03-15

    New assemblies and improved measuring techniques call for periodic review of the status of computation vs. experiment. It is appropriate to emphasize neutron-spectral characterizations because of the particularly elusive problems associated with absolute spectral-index measurement and the need for checks of computation beyond simple critical size. The ever-improving spectral-index measurements in conjunction with increasing precision, both of microscopic data for detector and assembly materials and of computational techniques, produce a gradual clarification of the characteristics of a family of fast-neutron critical assemblies. This family now includes unreflected and thick-uranium-reflected U{sup 233} in spherical geometry. Direct correlations among the experimental data will be presented to indicate the a priori possibilities for successful correlations with computation. Sensitivity of computed spectra and critical sizes to neutron-transport models (transport and linear approximations ) and arithmetic approximations (finite angular segmentations and multi-group representations) will be presented for several typical assemblies to help establish the necessary computational detail. Comparisons between experiment and prediction will include, in addition to spectral indices and critical sizes, neutron lifetimes and delayed-neutron fractions. (author) [French] Du fait de la mise en service de nouveaux reacteurs et de l'amelioration des methodes de mesure, il est necessaire de faire periodiquement la correlation des experiences et des calculs. Il est utile d'insister sur les caracterisations de spectres de neutrons a cause des problemes particulieremen t delicats que pose la mesure absolue de l'indice spectral et de la necessite de verifier les calculs au-dela des simples dimensions critiques. Les mesures constamment ameliorees de l'indice spectral, associees a la precision croissante des donnees microscopiques relatives aux materiaux utilises dans les detecteurs et

  7. 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.

  8. Experimental overview

    International Nuclear Information System (INIS)

    Nagamiya, Shoji

    1992-01-01

    Five years ago the first heavy-ion beams were accelerated at both the BNL-AGS and the CERN-SPS. This conference is the 5th anniversary in the experimental field. Currently, four experimental groups (E802/E859, E810, E814, E858) are taking data at BNL and eight groups (NA34-3, NA44, NA45, NA35, NA36, NA38, WA80/WA93, WA85) at CERN. Au and Pb beams are about to come, and a lot of activities are going on for RHIC and LHC. The purpose of this talk is to overview where we are, in particular, by looking at the past data. In this talk, the data of proton rapidity distributions are reviewed first to study nuclear transparency, then, the data of energy spectra and slopes, HBT and anti d production are discussed in connection with the evolution of the collision. Third, the data of strangeness production are described. Finally, the status of J/ψ and that of soft photons and electron pairs are briefly overviewed. (orig.)

  9. Calculation of B(E2) for the 18F

    International Nuclear Information System (INIS)

    Almeida, F.I.A. de; Carlin Filho, N.; Chen, Y.T.; Coimbra, M.M.; Takai, H.; Mastroleo, R.C.; Silveira, L.A.; Villari, A.C.C.

    1982-03-01

    A detailed calculation of the reduced probability of transition B(E2) for 18 F, utilizing a simple model and the nucleon-nucleon interaction matrix given by Kuo-Brown is presented. In spite of the simplicity of the model, the results are satisfactory and are compared with the experimental data and other author calculations. (Author) [pt

  10. Model calculations of nuclear data for biologically-important elements

    International Nuclear Information System (INIS)

    Chadwick, M.B.; Blann, M.; Reffo, G.; Young, P.G.

    1994-05-01

    We describe calculations of neutron-induced reactions on carbon and oxygen for incident energies up to 70 MeV, the relevant clinical energy in radiation neutron therapy. Our calculations using the FKK-GNASH, GNASH, and ALICE codes are compared with experimental measurements, and their usefulness for modeling reactions on biologically-important elements is assessed

  11. Accurate methods for calculating atomic processes in high temperature plasmas

    International Nuclear Information System (INIS)

    Keady, J.J.; Abdallah, J.A. Jr.; Clark, R.E.H.

    1992-01-01

    A technique for computing monochromatic X-ray absorption is described and compared to experimental data. Calculations of power loss from carbon plasmas with comprehensive new datasets confirm that the direct inclusion of metastable states can noticeably decrease the calculated power loss

  12. Standard Guide for Benchmark Testing of Light Water Reactor Calculations

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2010-01-01

    1.1 This guide covers general approaches for benchmarking neutron transport calculations in light water reactor systems. A companion guide (Guide E2005) covers use of benchmark fields for testing neutron transport calculations and cross sections in well controlled environments. This guide covers experimental benchmarking of neutron fluence calculations (or calculations of other exposure parameters such as dpa) in more complex geometries relevant to reactor surveillance. Particular sections of the guide discuss: the use of well-characterized benchmark neutron fields to provide an indication of the accuracy of the calculational methods and nuclear data when applied to typical cases; and the use of plant specific measurements to indicate bias in individual plant calculations. Use of these two benchmark techniques will serve to limit plant-specific calculational uncertainty, and, when combined with analytical uncertainty estimates for the calculations, will provide uncertainty estimates for reactor fluences with ...

  13. 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

  14. Calculation of reactivity of control rods in graphite moderated reactors

    International Nuclear Information System (INIS)

    Nakata, H.

    1978-01-01

    A study about the method of calculation for the reactivity of control rods in graphite-moderated critical assemblies, is presented. The result of theoretical calculation, developed by super celles and Nordheim-Scalettar methods are compared with experimental results for the critical Assembly of General Atomic. The two methods are then applicable to reactivity calculation of the control rods of graphite moderated critical assemblies [pt

  15. Calculation analysis on steady state natural circulation characteristics

    International Nuclear Information System (INIS)

    Wang Fei; Nie Changhua; Huang Yanping

    2005-01-01

    The calculation results of single-phase steady state natural circulation characteristics by using Retran02 code have been presented, good agreement is achieved between the verified calculation result and the experimental data which were conducted at a test facility. Based on the calculation model, some sensibility analyses were made and much deeper understanding for single-phase steady state natural circulation characteristics was obtained. (author)

  16. Experimental techniques

    International Nuclear Information System (INIS)

    Roussel-Chomaz, P.

    2007-01-01

    This lecture presents the experimental techniques, developed in the last 10 or 15 years, in order to perform a new class of experiments with exotic nuclei, where the reactions induced by these nuclei allow to get information on their structure. A brief review of the secondary beams production methods will be given, with some examples of facilities in operation or under project. The important developments performed recently on cryogenic targets will be presented. The different detection systems will be reviewed, both the beam detectors before the targets, and the many kind of detectors necessary to detect all outgoing particles after the reaction: magnetic spectrometer for the heavy fragment, detection systems for the target recoil nucleus, γ detectors. Finally, several typical examples of experiments will be detailed, in order to illustrate the use of each detector either alone, or in coincidence with others. (author)

  17. 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.

  18. Application of backtracking algorithm to depletion calculations

    International Nuclear Information System (INIS)

    Wu Mingyu; Wang Shixi; Yang Yong; Zhang Qiang; Yang Jiayin

    2013-01-01

    Based on the theory of linear chain method for analytical depletion calculations, the burnup matrix is decoupled by the divide and conquer strategy and the linear chain with Markov characteristic is formed. The density, activity and decay heat of every nuclide in the chain then can be calculated by analytical solutions. Every possible reaction path of the nuclide must be considered during the linear chain establishment process. To confirm the calculation precision and efficiency, the algorithm which can cover all the reaction paths and search the paths automatically according to the problem description and precision restrictions should be found. Through analysis and comparison of several kinds of searching algorithms, the backtracking algorithm was selected to establish and calculate the linear chains in searching process using depth first search (DFS) method, forming an algorithm which can solve the depletion problem adaptively and with high fidelity. The complexity of the solution space and time was analyzed by taking into account depletion process and the characteristics of the backtracking algorithm. The newly developed depletion program was coupled with Monte Carlo program MCMG-Ⅱ to calculate the benchmark burnup problem of the first core of China Experimental Fast Reactor (CEFR) and the preliminary verification and validation of the program were performed. (authors)

  19. Sandia Strehl Calculator Version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    2017-12-05

    The Sandia Strehl Calculator is designed to calculate the Gibson and Lanni point spread function (PSF), Strehl ratio, and ensquared energy, allowing non-design immersion, coverslip, and sample layers. It also uses Abbe number calculations to determine the refractive index at specific wavelengths when given the refractive index at a different wavelength and the dispersion. The primary application of Sandia Strehl Calculator is to determine the theoretical impacts of using an optical microscope beyond its normal design parameters. Examples of non-design microscope usage include: a) using coverslips of non-design material b) coverslips of different thicknesses c) imaging deep into an aqueous sample with an immersion objective d) imaging a sample at 37 degrees. All of these changes can affect the imaging quality, sometimes profoundly, but are at the same time non-design conditions employed not infrequently. Rather than having to experimentally determine whether the changes will result in unacceptable image quality, Sandia Strehl Calculator uses existing optical theory to determine the approximate effect of the change, saving the need to perform experiments.

  20. 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...